data_15783_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15783
_Entry.PDB_ID 2K43
_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 12 . 1 1 1 A 2 2 LYS H H 2 7.955 8.605 -0.650 1
1 13 . 1 1 1 A 2 2 LYS N N 2 120.000 129.846 -9.846 1
1 14 . 1 1 1 A 2 2 LYS CA C 2 51.913 56.581 -4.668 1
1 15 . 1 1 1 A 2 2 LYS C C 2 174.300 175.450 -1.150 1
1 16 . 1 1 1 A 2 2 LYS HA H 2 4.270 5.275 -1.005 1
1 18 . 1 1 1 A 3 3 LYS H H 3 7.960 8.542 -0.582 1
1 19 . 1 1 1 A 3 3 LYS N N 3 119.640 124.612 -4.972 1
1 20 . 1 1 1 A 3 3 LYS CA C 3 51.900 53.377 -1.477 1
1 21 . 1 1 1 A 3 3 LYS HA H 3 4.600 4.715 -0.115 1
1 24 . 1 1 1 A 4 4 PRO CA C 4 60.687 63.311 -2.624 1
1 25 . 1 1 1 A 4 4 PRO C C 4 172.359 176.602 -4.243 1
1 26 . 1 1 1 A 4 4 PRO CB C 4 30.627 31.913 -1.286 1
1 27 . 1 1 1 A 4 4 PRO HA H 4 4.716 4.378 0.338 1
1 29 . 1 1 1 A 5 5 LYS H H 5 9.357 8.157 1.200 1
1 30 . 1 1 1 A 5 5 LYS N N 5 119.100 118.246 0.854 1
1 31 . 1 1 1 A 5 5 LYS CA C 5 51.445 55.490 -4.045 1
1 32 . 1 1 1 A 5 5 LYS CB C 5 34.945 33.431 1.514 1
1 33 . 1 1 1 A 5 5 LYS C C 5 171.776 175.448 -3.672 1
1 34 . 1 1 1 A 5 5 LYS HA H 5 5.062 4.401 0.661 1
1 37 . 1 1 1 A 6 6 LEU H H 6 8.944 8.574 0.370 1
1 38 . 1 1 1 A 6 6 LEU N N 6 117.400 122.870 -5.470 1
1 39 . 1 1 1 A 6 6 LEU CA C 6 50.259 53.495 -3.236 1
1 40 . 1 1 1 A 6 6 LEU CB C 6 41.472 45.448 -3.976 1
1 41 . 1 1 1 A 6 6 LEU C C 6 174.676 175.226 -0.550 1
1 42 . 1 1 1 A 6 6 LEU HA H 6 4.984 5.065 -0.081 1
1 51 . 1 1 1 A 7 7 LEU H H 7 10.297 8.712 1.585 1
1 52 . 1 1 1 A 7 7 LEU N N 7 125.000 127.223 -2.223 1
1 53 . 1 1 1 A 7 7 LEU CA C 7 53.596 53.765 -0.169 1
1 54 . 1 1 1 A 7 7 LEU C C 7 172.290 175.040 -2.750 1
1 55 . 1 1 1 A 7 7 LEU HA H 7 5.083 4.903 0.180 1
1 65 . 1 1 1 A 8 8 TYR H H 8 8.483 8.792 -0.309 1
1 66 . 1 1 1 A 8 8 TYR N N 8 125.000 128.609 -3.609 1
1 67 . 1 1 1 A 8 8 TYR CA C 8 54.761 57.475 -2.714 1
1 68 . 1 1 1 A 8 8 TYR CB C 8 37.988 40.009 -2.021 1
1 69 . 1 1 1 A 8 8 TYR C C 8 171.270 174.823 -3.553 1
1 70 . 1 1 1 A 8 8 TYR HA H 8 4.592 4.954 -0.362 1
1 73 . 1 1 1 A 9 9 CYS H H 9 9.235 8.657 0.578 1
1 74 . 1 1 1 A 9 9 CYS N N 9 130.104 128.235 1.869 1
1 75 . 1 1 1 A 9 9 CYS CA C 9 55.588 57.423 -1.835 1
1 76 . 1 1 1 A 9 9 CYS CB C 9 26.864 31.952 -5.088 1
1 77 . 1 1 1 A 9 9 CYS C C 9 172.619 173.630 -1.011 1
1 78 . 1 1 1 A 9 9 CYS HA H 9 4.163 5.492 -1.329 1
1 82 . 1 1 1 A 10 10 SER H H 10 8.173 8.132 0.041 1
1 83 . 1 1 1 A 10 10 SER N N 10 122.600 120.024 2.576 1
1 84 . 1 1 1 A 10 10 SER CA C 10 57.853 58.661 -0.808 1
1 85 . 1 1 1 A 10 10 SER CB C 10 61.820 63.595 -1.775 1
1 86 . 1 1 1 A 10 10 SER C C 10 172.210 174.381 -2.171 1
1 87 . 1 1 1 A 10 10 SER HA H 10 3.920 4.561 -0.641 1
1 89 . 1 1 1 A 11 11 ASN H H 11 7.450 8.826 -1.376 1
1 90 . 1 1 1 A 11 11 ASN N N 11 119.550 122.425 -2.875 1
1 91 . 1 1 1 A 11 11 ASN CA C 11 52.430 53.803 -1.373 1
1 92 . 1 1 1 A 11 11 ASN HA H 11 4.360 4.749 -0.389 1
1 94 . 1 1 1 A 12 12 GLY C C 12 171.806 174.500 -2.694 1
1 95 . 1 1 1 A 12 12 GLY CA C 12 41.915 45.114 -3.199 1
1 96 . 1 1 1 A 12 12 GLY HA3 H 12 3.927 3.989 -0.062 1
1 97 . 1 1 1 A 12 12 GLY H H 12 7.096 8.613 -1.517 1
1 98 . 1 1 1 A 12 12 GLY N N 12 109.300 112.700 -3.400 1
1 99 . 1 1 1 A 13 13 GLY H H 13 7.096 7.879 -0.783 1
1 100 . 1 1 1 A 13 13 GLY N N 13 109.300 108.920 0.380 1
1 101 . 1 1 1 A 13 13 GLY CA C 13 44.272 46.795 -2.523 1
1 102 . 1 1 1 A 13 13 GLY C C 13 170.445 173.984 -3.539 1
1 103 . 1 1 1 A 13 13 GLY HA2 H 13 3.598 3.603 -0.005 1
1 104 . 1 1 1 A 13 13 GLY HA3 H 13 3.204 3.751 -0.547 1
1 105 . 1 1 1 A 14 14 HIS H H 14 6.302 7.364 -1.062 1
1 106 . 1 1 1 A 14 14 HIS N N 14 113.600 117.116 -3.516 1
1 107 . 1 1 1 A 14 14 HIS CA C 14 54.319 54.317 0.002 1
1 108 . 1 1 1 A 14 14 HIS CB C 14 31.792 34.575 -2.783 1
1 109 . 1 1 1 A 14 14 HIS C C 14 171.281 172.922 -1.641 1
1 110 . 1 1 1 A 14 14 HIS HA H 14 4.104 4.917 -0.813 1
1 113 . 1 1 1 A 15 15 PHE H H 15 9.298 8.942 0.356 1
1 114 . 1 1 1 A 15 15 PHE N N 15 120.700 117.868 2.832 1
1 115 . 1 1 1 A 15 15 PHE CA C 15 54.273 56.136 -1.863 1
1 116 . 1 1 1 A 15 15 PHE CB C 15 37.632 42.829 -5.197 1
1 117 . 1 1 1 A 15 15 PHE C C 15 173.938 174.182 -0.244 1
1 118 . 1 1 1 A 15 15 PHE HA H 15 5.390 4.933 0.457 1
1 121 . 1 1 1 A 16 16 LEU H H 16 8.480 8.899 -0.419 1
1 122 . 1 1 1 A 16 16 LEU N N 16 124.700 125.647 -0.947 1
1 123 . 1 1 1 A 16 16 LEU CA C 16 54.440 54.322 0.118 1
1 124 . 1 1 1 A 16 16 LEU C C 16 171.758 175.987 -4.229 1
1 125 . 1 1 1 A 16 16 LEU CB C 16 41.301 43.436 -2.135 1
1 126 . 1 1 1 A 16 16 LEU HA H 16 4.394 4.945 -0.551 1
1 129 . 1 1 1 A 17 17 ARG H H 17 9.339 9.395 -0.056 1
1 130 . 1 1 1 A 17 17 ARG N N 17 126.971 123.980 2.991 1
1 131 . 1 1 1 A 17 17 ARG CA C 17 53.301 54.290 -0.989 1
1 132 . 1 1 1 A 17 17 ARG CB C 17 32.620 33.918 -1.298 1
1 133 . 1 1 1 A 17 17 ARG C C 17 171.302 175.090 -3.788 1
1 134 . 1 1 1 A 17 17 ARG HA H 17 4.715 5.042 -0.327 1
1 141 . 1 1 1 A 18 18 ILE H H 18 6.989 8.521 -1.532 1
1 142 . 1 1 1 A 18 18 ILE N N 18 120.966 118.718 2.248 1
1 143 . 1 1 1 A 18 18 ILE CA C 18 57.903 59.954 -2.051 1
1 144 . 1 1 1 A 18 18 ILE C C 18 173.747 174.908 -1.161 1
1 145 . 1 1 1 A 18 18 ILE HA H 18 4.563 5.062 -0.499 1
1 150 . 1 1 1 A 19 19 LEU H H 19 8.940 8.910 0.030 1
1 151 . 1 1 1 A 19 19 LEU N N 19 128.097 124.892 3.205 1
1 152 . 1 1 1 A 19 19 LEU CA C 19 51.419 51.644 -0.225 1
1 153 . 1 1 1 A 20 20 PRO CA C 20 62.710 63.872 -1.162 1
1 154 . 1 1 1 A 20 20 PRO CB C 20 29.518 32.055 -2.537 1
1 155 . 1 1 1 A 20 20 PRO C C 20 173.966 176.401 -2.435 1
1 156 . 1 1 1 A 20 20 PRO HA H 20 4.319 4.587 -0.268 1
1 161 . 1 1 1 A 21 21 ASP H H 21 7.415 7.958 -0.543 1
1 162 . 1 1 1 A 21 21 ASP N N 21 114.000 118.732 -4.732 1
1 163 . 1 1 1 A 21 21 ASP CA C 21 51.361 53.664 -2.303 1
1 164 . 1 1 1 A 21 21 ASP CB C 21 37.419 41.175 -3.756 1
1 165 . 1 1 1 A 21 21 ASP C C 21 174.570 176.606 -2.036 1
1 166 . 1 1 1 A 21 21 ASP HA H 21 4.513 4.738 -0.225 1
1 169 . 1 1 1 A 22 22 GLY H H 22 8.404 8.778 -0.374 1
1 170 . 1 1 1 A 22 22 GLY N N 22 109.100 108.038 1.062 1
1 171 . 1 1 1 A 22 22 GLY CA C 22 43.166 46.313 -3.147 1
1 172 . 1 1 1 A 22 22 GLY C C 22 172.565 173.726 -1.161 1
1 173 . 1 1 1 A 22 22 GLY HA3 H 22 4.632 4.001 0.631 1
1 174 . 1 1 1 A 22 22 GLY HA2 H 22 3.838 3.972 -0.134 1
1 175 . 1 1 1 A 23 23 THR H H 23 7.894 7.503 0.391 1
1 176 . 1 1 1 A 23 23 THR N N 23 116.800 114.121 2.679 1
1 177 . 1 1 1 A 23 23 THR CA C 23 61.304 61.246 0.058 1
1 178 . 1 1 1 A 23 23 THR CB C 23 67.455 72.799 -5.344 1
1 179 . 1 1 1 A 23 23 THR C C 23 170.170 172.466 -2.296 1
1 180 . 1 1 1 A 23 23 THR HA H 23 4.489 5.009 -0.520 1
1 185 . 1 1 1 A 24 24 VAL H H 24 7.792 9.013 -1.221 1
1 186 . 1 1 1 A 24 24 VAL N N 24 123.100 126.109 -3.009 1
1 187 . 1 1 1 A 24 24 VAL CA C 24 58.203 60.219 -2.016 1
1 188 . 1 1 1 A 24 24 VAL CB C 24 31.847 33.863 -2.016 1
1 189 . 1 1 1 A 24 24 VAL C C 24 171.629 174.662 -3.033 1
1 190 . 1 1 1 A 24 24 VAL HA H 24 5.084 5.172 -0.088 1
1 195 . 1 1 1 A 25 25 ASP H H 25 8.906 8.754 0.152 1
1 196 . 1 1 1 A 25 25 ASP N N 25 131.200 125.795 5.405 1
1 197 . 1 1 1 A 25 25 ASP CA C 25 50.847 52.265 -1.418 1
1 198 . 1 1 1 A 25 25 ASP CB C 25 38.730 44.672 -5.942 1
1 199 . 1 1 1 A 25 25 ASP C C 25 170.281 175.290 -5.009 1
1 200 . 1 1 1 A 25 25 ASP HA H 25 4.313 5.354 -1.041 1
1 203 . 1 1 1 A 26 26 GLY H H 26 7.891 8.678 -0.787 1
1 204 . 1 1 1 A 26 26 GLY N N 26 102.500 106.559 -4.059 1
1 205 . 1 1 1 A 26 26 GLY CA C 26 42.057 45.030 -2.973 1
1 206 . 1 1 1 A 26 26 GLY C C 26 169.975 172.740 -2.765 1
1 207 . 1 1 1 A 26 26 GLY HA3 H 26 5.529 4.112 1.417 1
1 208 . 1 1 1 A 26 26 GLY HA2 H 26 3.015 4.072 -1.057 1
1 209 . 1 1 1 A 27 27 THR H H 27 8.529 8.953 -0.424 1
1 210 . 1 1 1 A 27 27 THR N N 27 112.700 118.112 -5.412 1
1 211 . 1 1 1 A 27 27 THR CA C 27 56.740 60.701 -3.961 1
1 212 . 1 1 1 A 27 27 THR CB C 27 67.326 72.372 -5.046 1
1 213 . 1 1 1 A 27 27 THR C C 27 170.554 172.986 -2.432 1
1 214 . 1 1 1 A 27 27 THR HA H 27 5.189 3.989 1.200 1
1 219 . 1 1 1 A 28 28 ARG H H 28 8.993 8.343 0.650 1
1 220 . 1 1 1 A 28 28 ARG N N 28 127.500 124.099 3.401 1
1 221 . 1 1 1 A 28 28 ARG CA C 28 54.938 55.822 -0.884 1
1 222 . 1 1 1 A 28 28 ARG CB C 28 37.260 30.535 6.725 1
1 223 . 1 1 1 A 28 28 ARG C C 28 173.450 174.836 -1.386 1
1 224 . 1 1 1 A 28 28 ARG HA H 28 4.691 4.657 0.034 1
1 227 . 1 1 1 A 29 29 ASP H H 29 8.323 8.808 -0.485 1
1 228 . 1 1 1 A 29 29 ASP N N 29 121.000 124.701 -3.701 1
1 229 . 1 1 1 A 29 29 ASP CA C 29 50.779 54.071 -3.292 1
1 230 . 1 1 1 A 29 29 ASP C C 29 172.275 175.247 -2.972 1
1 231 . 1 1 1 A 29 29 ASP HA H 29 4.661 5.077 -0.416 1
1 234 . 1 1 1 A 30 30 ARG H H 30 8.342 8.829 -0.487 1
1 235 . 1 1 1 A 30 30 ARG N N 30 126.100 125.633 0.467 1
1 236 . 1 1 1 A 30 30 ARG CA C 30 54.924 55.111 -0.187 1
1 237 . 1 1 1 A 30 30 ARG CB C 30 28.367 31.036 -2.669 1
1 238 . 1 1 1 A 30 30 ARG C C 30 173.454 176.508 -3.054 1
1 239 . 1 1 1 A 30 30 ARG HA H 30 3.592 4.607 -1.015 1
1 243 . 1 1 1 A 31 31 SER H H 31 8.379 8.190 0.189 1
1 244 . 1 1 1 A 31 31 SER N N 31 113.600 114.768 -1.168 1
1 245 . 1 1 1 A 31 31 SER CA C 31 55.918 60.184 -4.266 1
1 246 . 1 1 1 A 31 31 SER CB C 31 61.807 64.023 -2.216 1
1 247 . 1 1 1 A 31 31 SER C C 31 171.758 173.869 -2.111 1
1 248 . 1 1 1 A 31 31 SER HA H 31 4.397 4.449 -0.052 1
1 251 . 1 1 1 A 32 32 ASP H H 32 7.105 7.915 -0.810 1
1 252 . 1 1 1 A 32 32 ASP N N 32 125.000 119.864 5.136 1
1 253 . 1 1 1 A 32 32 ASP CA C 32 53.116 52.114 1.002 1
1 254 . 1 1 1 A 32 32 ASP CB C 32 41.585 43.634 -2.049 1
1 255 . 1 1 1 A 32 32 ASP C C 32 174.497 174.256 0.241 1
1 256 . 1 1 1 A 32 32 ASP HA H 32 4.276 5.001 -0.725 1
1 259 . 1 1 1 A 33 33 GLN H H 33 8.775 8.570 0.205 1
1 260 . 1 1 1 A 33 33 GLN N N 33 124.700 120.571 4.129 1
1 261 . 1 1 1 A 33 33 GLN CA C 33 55.127 54.445 0.682 1
1 262 . 1 1 1 A 33 33 GLN CB C 33 26.601 27.802 -1.201 1
1 263 . 1 1 1 A 33 33 GLN C C 33 174.900 175.489 -0.589 1
1 264 . 1 1 1 A 33 33 GLN HA H 33 4.061 4.597 -0.536 1
1 271 . 1 1 1 A 34 34 HIS H H 34 9.681 8.422 1.259 1
1 272 . 1 1 1 A 34 34 HIS N N 34 116.700 120.365 -3.665 1
1 273 . 1 1 1 A 34 34 HIS CA C 34 55.739 56.158 -0.419 1
1 274 . 1 1 1 A 34 34 HIS CB C 34 26.065 31.614 -5.549 1
1 275 . 1 1 1 A 34 34 HIS C C 34 172.307 175.830 -3.523 1
1 276 . 1 1 1 A 34 34 HIS HA H 34 4.885 5.423 -0.538 1
1 279 . 1 1 1 A 35 35 ILE H H 35 6.711 7.469 -0.758 1
1 280 . 1 1 1 A 35 35 ILE N N 35 108.600 110.253 -1.653 1
1 281 . 1 1 1 A 35 35 ILE CA C 35 58.395 61.016 -2.621 1
1 282 . 1 1 1 A 35 35 ILE CB C 35 35.989 37.465 -1.476 1
1 283 . 1 1 1 A 35 35 ILE C C 35 172.249 175.871 -3.622 1
1 284 . 1 1 1 A 35 35 ILE HA H 35 5.114 4.314 0.800 1
1 293 . 1 1 1 A 36 36 GLN H H 36 7.148 7.849 -0.701 1
1 294 . 1 1 1 A 36 36 GLN N N 36 120.018 120.511 -0.493 1
1 295 . 1 1 1 A 36 36 GLN CA C 36 55.111 54.924 0.187 1
1 296 . 1 1 1 A 36 36 GLN CB C 36 25.190 29.942 -4.752 1
1 297 . 1 1 1 A 36 36 GLN C C 36 172.952 174.867 -1.915 1
1 298 . 1 1 1 A 36 36 GLN HA H 36 4.261 4.774 -0.513 1
1 305 . 1 1 1 A 37 37 LEU H H 37 9.110 8.759 0.351 1
1 306 . 1 1 1 A 37 37 LEU N N 37 127.600 123.171 4.429 1
1 307 . 1 1 1 A 37 37 LEU CA C 37 51.329 52.923 -1.594 1
1 308 . 1 1 1 A 37 37 LEU CB C 37 42.165 44.526 -2.361 1
1 309 . 1 1 1 A 37 37 LEU C C 37 172.877 174.835 -1.958 1
1 310 . 1 1 1 A 37 37 LEU HA H 37 5.315 5.053 0.262 1
1 319 . 1 1 1 A 38 38 GLN H H 38 9.556 9.259 0.297 1
1 320 . 1 1 1 A 38 38 GLN N N 38 120.583 121.684 -1.101 1
1 321 . 1 1 1 A 38 38 GLN CA C 38 51.810 54.954 -3.144 1
1 322 . 1 1 1 A 38 38 GLN CB C 38 29.259 29.588 -0.329 1
1 323 . 1 1 1 A 38 38 GLN C C 38 172.676 174.368 -1.692 1
1 324 . 1 1 1 A 38 38 GLN HA H 38 4.623 4.539 0.084 1
1 328 . 1 1 1 A 39 39 LEU H H 39 8.926 9.006 -0.080 1
1 329 . 1 1 1 A 39 39 LEU N N 39 131.700 129.566 2.134 1
1 330 . 1 1 1 A 39 39 LEU CA C 39 53.062 53.680 -0.618 1
1 331 . 1 1 1 A 39 39 LEU C C 39 174.601 174.919 -0.318 1
1 332 . 1 1 1 A 39 39 LEU HA H 39 5.506 5.388 0.118 1
1 341 . 1 1 1 A 40 40 SER H H 40 8.569 8.546 0.023 1
1 342 . 1 1 1 A 40 40 SER N N 40 115.900 124.284 -8.384 1
1 343 . 1 1 1 A 40 40 SER CA C 40 54.925 57.492 -2.567 1
1 344 . 1 1 1 A 40 40 SER CB C 40 46.694 66.327 -19.633 1
1 345 . 1 1 1 A 40 40 SER C C 40 170.046 172.940 -2.894 1
1 346 . 1 1 1 A 40 40 SER HA H 40 4.676 5.237 -0.561 1
1 349 . 1 1 1 A 41 41 ALA H H 41 8.357 8.531 -0.174 1
1 350 . 1 1 1 A 41 41 ALA N N 41 125.900 124.639 1.261 1
1 351 . 1 1 1 A 41 41 ALA CA C 41 49.309 50.676 -1.367 1
1 352 . 1 1 1 A 41 41 ALA CB C 41 27.376 19.980 7.396 1
1 353 . 1 1 1 A 41 41 ALA C C 41 175.352 177.253 -1.901 1
1 354 . 1 1 1 A 41 41 ALA HA H 41 5.016 4.944 0.072 1
1 358 . 1 1 1 A 42 42 GLU H H 42 8.485 8.686 -0.201 1
1 359 . 1 1 1 A 42 42 GLU N N 42 125.400 126.348 -0.948 1
1 360 . 1 1 1 A 42 42 GLU CA C 42 54.611 57.867 -3.256 1
1 361 . 1 1 1 A 42 42 GLU CB C 42 28.181 30.898 -2.717 1
1 362 . 1 1 1 A 42 42 GLU C C 42 174.014 175.956 -1.942 1
1 363 . 1 1 1 A 42 42 GLU HA H 42 4.444 4.378 0.066 1
1 368 . 1 1 1 A 43 43 SER H H 43 8.020 7.823 0.197 1
1 369 . 1 1 1 A 43 43 SER N N 43 113.900 114.808 -0.908 1
1 370 . 1 1 1 A 43 43 SER CA C 43 55.014 57.230 -2.216 1
1 371 . 1 1 1 A 43 43 SER CB C 43 61.687 65.704 -4.017 1
1 372 . 1 1 1 A 43 43 SER C C 43 171.119 174.370 -3.251 1
1 373 . 1 1 1 A 43 43 SER HA H 43 4.516 4.828 -0.312 1
1 376 . 1 1 1 A 44 44 VAL H H 44 8.113 8.345 -0.232 1
1 377 . 1 1 1 A 44 44 VAL N N 44 121.100 123.371 -2.271 1
1 378 . 1 1 1 A 44 44 VAL CA C 44 62.838 65.452 -2.614 1
1 379 . 1 1 1 A 44 44 VAL CB C 44 28.991 31.261 -2.270 1
1 380 . 1 1 1 A 44 44 VAL C C 44 175.533 177.197 -1.664 1
1 381 . 1 1 1 A 44 44 VAL HA H 44 3.868 3.574 0.294 1
1 389 . 1 1 1 A 45 45 GLY H H 45 8.807 8.862 -0.055 1
1 390 . 1 1 1 A 45 45 GLY N N 45 115.545 114.975 0.570 1
1 391 . 1 1 1 A 45 45 GLY CA C 45 43.553 45.003 -1.450 1
1 392 . 1 1 1 A 45 45 GLY C C 45 170.948 173.896 -2.948 1
1 393 . 1 1 1 A 45 45 GLY HA3 H 45 4.296 4.044 0.252 1
1 394 . 1 1 1 A 45 45 GLY HA2 H 45 3.995 4.033 -0.038 1
1 395 . 1 1 1 A 46 46 GLU H H 46 7.985 7.680 0.305 1
1 396 . 1 1 1 A 46 46 GLU N N 46 121.200 120.495 0.705 1
1 397 . 1 1 1 A 46 46 GLU CA C 46 52.751 55.321 -2.570 1
1 398 . 1 1 1 A 46 46 GLU CB C 46 29.432 30.611 -1.179 1
1 399 . 1 1 1 A 46 46 GLU C C 46 173.583 175.992 -2.409 1
1 400 . 1 1 1 A 46 46 GLU HA H 46 5.442 4.695 0.747 1
1 405 . 1 1 1 A 47 47 VAL H H 47 9.560 9.017 0.543 1
1 406 . 1 1 1 A 47 47 VAL N N 47 116.400 119.002 -2.602 1
1 407 . 1 1 1 A 47 47 VAL CA C 47 56.846 60.235 -3.389 1
1 408 . 1 1 1 A 47 47 VAL CB C 47 33.714 33.980 -0.266 1
1 409 . 1 1 1 A 47 47 VAL C C 47 172.960 173.699 -0.739 1
1 410 . 1 1 1 A 47 47 VAL HA H 47 5.505 5.093 0.412 1
1 418 . 1 1 1 A 48 48 TYR H H 48 8.415 9.328 -0.913 1
1 419 . 1 1 1 A 48 48 TYR N N 48 117.400 126.186 -8.786 1
1 420 . 1 1 1 A 48 48 TYR CA C 48 54.331 55.792 -1.461 1
1 421 . 1 1 1 A 48 48 TYR CB C 48 39.296 41.482 -2.186 1
1 422 . 1 1 1 A 48 48 TYR C C 48 173.423 173.787 -0.364 1
1 423 . 1 1 1 A 48 48 TYR HA H 48 5.290 5.271 0.019 1
1 426 . 1 1 1 A 49 49 ILE H H 49 10.532 9.167 1.365 1
1 427 . 1 1 1 A 49 49 ILE N N 49 123.100 128.859 -5.759 1
1 428 . 1 1 1 A 49 49 ILE CA C 49 59.573 60.415 -0.842 1
1 429 . 1 1 1 A 49 49 ILE CB C 49 40.504 37.564 2.940 1
1 430 . 1 1 1 A 49 49 ILE C C 49 170.853 175.127 -4.274 1
1 431 . 1 1 1 A 49 49 ILE HA H 49 4.341 4.619 -0.278 1
1 438 . 1 1 1 A 50 50 LYS H H 50 8.511 8.643 -0.132 1
1 439 . 1 1 1 A 50 50 LYS N N 50 125.800 124.472 1.328 1
1 440 . 1 1 1 A 50 50 LYS CA C 50 51.179 54.162 -2.983 1
1 441 . 1 1 1 A 50 50 LYS CB C 50 34.816 35.712 -0.896 1
1 442 . 1 1 1 A 50 50 LYS C C 50 173.759 175.152 -1.393 1
1 443 . 1 1 1 A 50 50 LYS HA H 50 4.991 4.794 0.197 1
1 451 . 1 1 1 A 51 51 SER H H 51 8.920 8.726 0.194 1
1 452 . 1 1 1 A 51 51 SER N N 51 117.579 119.125 -1.546 1
1 453 . 1 1 1 A 51 51 SER CA C 51 55.043 59.115 -4.072 1
1 454 . 1 1 1 A 51 51 SER CB C 51 61.065 63.226 -2.161 1
1 455 . 1 1 1 A 51 51 SER C C 51 175.084 174.040 1.044 1
1 456 . 1 1 1 A 51 51 SER HA H 51 4.666 4.351 0.315 1
1 459 . 1 1 1 A 52 52 THR H H 52 8.342 8.135 0.207 1
1 460 . 1 1 1 A 52 52 THR N N 52 123.200 119.331 3.869 1
1 461 . 1 1 1 A 52 52 THR CA C 52 62.792 64.627 -1.835 1
1 462 . 1 1 1 A 52 52 THR CB C 52 65.611 68.864 -3.253 1
1 463 . 1 1 1 A 52 52 THR C C 52 173.566 176.459 -2.893 1
1 464 . 1 1 1 A 52 52 THR HA H 52 3.996 3.981 0.015 1
1 469 . 1 1 1 A 53 53 GLU H H 53 8.312 7.510 0.802 1
1 470 . 1 1 1 A 53 53 GLU N N 53 122.000 120.734 1.266 1
1 471 . 1 1 1 A 53 53 GLU CA C 53 55.889 58.144 -2.255 1
1 472 . 1 1 1 A 53 53 GLU CB C 53 28.359 30.490 -2.131 1
1 473 . 1 1 1 A 53 53 GLU C C 53 175.327 177.698 -2.371 1
1 474 . 1 1 1 A 53 53 GLU HA H 53 4.311 4.165 0.146 1
1 477 . 1 1 1 A 54 54 THR H H 54 7.724 8.071 -0.347 1
1 478 . 1 1 1 A 54 54 THR N N 54 103.100 109.224 -6.124 1
1 479 . 1 1 1 A 54 54 THR CA C 54 58.555 61.233 -2.678 1
1 480 . 1 1 1 A 54 54 THR CB C 54 69.030 69.034 -0.004 1
1 481 . 1 1 1 A 54 54 THR C C 54 173.942 175.571 -1.629 1
1 482 . 1 1 1 A 54 54 THR HA H 54 4.681 4.695 -0.014 1
1 487 . 1 1 1 A 55 55 GLY H H 55 7.643 8.083 -0.440 1
1 488 . 1 1 1 A 55 55 GLY N N 55 110.700 110.861 -0.161 1
1 489 . 1 1 1 A 55 55 GLY CA C 55 43.594 45.773 -2.179 1
1 490 . 1 1 1 A 55 55 GLY HA3 H 55 4.150 3.893 0.257 1
1 491 . 1 1 1 A 55 55 GLY HA2 H 55 3.591 3.839 -0.248 1
1 492 . 1 1 1 A 55 55 GLY C C 55 170.694 174.173 -3.479 1
1 493 . 1 1 1 A 56 56 GLN H H 56 7.211 7.235 -0.024 1
1 494 . 1 1 1 A 56 56 GLN N N 56 115.700 117.154 -1.454 1
1 495 . 1 1 1 A 56 56 GLN CA C 56 53.898 55.626 -1.728 1
1 496 . 1 1 1 A 56 56 GLN CB C 56 30.456 32.383 -1.927 1
1 497 . 1 1 1 A 56 56 GLN C C 56 172.141 172.781 -0.640 1
1 498 . 1 1 1 A 56 56 GLN HA H 56 4.311 4.610 -0.299 1
1 504 . 1 1 1 A 57 57 TYR H H 57 9.254 8.901 0.353 1
1 505 . 1 1 1 A 57 57 TYR N N 57 119.400 125.556 -6.156 1
1 506 . 1 1 1 A 57 57 TYR CA C 57 53.356 56.258 -2.902 1
1 507 . 1 1 1 A 57 57 TYR CB C 57 40.466 37.166 3.300 1
1 508 . 1 1 1 A 57 57 TYR C C 57 173.320 174.634 -1.314 1
1 509 . 1 1 1 A 57 57 TYR HA H 57 4.128 4.878 -0.750 1
1 512 . 1 1 1 A 58 58 LEU H H 58 9.126 8.725 0.401 1
1 513 . 1 1 1 A 58 58 LEU N N 58 123.600 126.048 -2.448 1
1 514 . 1 1 1 A 58 58 LEU CA C 58 53.256 54.984 -1.728 1
1 515 . 1 1 1 A 58 58 LEU CB C 58 40.466 43.114 -2.648 1
1 516 . 1 1 1 A 58 58 LEU C C 58 172.320 175.429 -3.109 1
1 517 . 1 1 1 A 58 58 LEU HA H 58 4.128 4.489 -0.361 1
1 524 . 1 1 1 A 59 59 ALA H H 59 8.656 8.254 0.402 1
1 525 . 1 1 1 A 59 59 ALA N N 59 126.947 125.504 1.443 1
1 526 . 1 1 1 A 59 59 ALA CA C 59 48.450 50.557 -2.107 1
1 527 . 1 1 1 A 59 59 ALA CB C 59 21.261 21.810 -0.549 1
1 528 . 1 1 1 A 59 59 ALA C C 59 172.722 175.098 -2.376 1
1 529 . 1 1 1 A 59 59 ALA HA H 59 5.124 5.078 0.046 1
1 533 . 1 1 1 A 60 60 MET H H 60 7.521 9.090 -1.569 1
1 534 . 1 1 1 A 60 60 MET N N 60 116.602 124.959 -8.357 1
1 535 . 1 1 1 A 60 60 MET CA C 60 52.251 54.672 -2.421 1
1 536 . 1 1 1 A 60 60 MET CB C 60 35.046 34.148 0.898 1
1 537 . 1 1 1 A 60 60 MET C C 60 173.753 174.522 -0.769 1
1 538 . 1 1 1 A 60 60 MET HA H 60 5.527 4.841 0.686 1
1 543 . 1 1 1 A 61 61 ASP H H 61 9.159 8.660 0.499 1
1 544 . 1 1 1 A 61 61 ASP N N 61 128.445 126.336 2.109 1
1 545 . 1 1 1 A 61 61 ASP CA C 61 51.480 53.143 -1.663 1
1 546 . 1 1 1 A 61 61 ASP CB C 61 39.346 43.285 -3.939 1
1 547 . 1 1 1 A 61 61 ASP C C 61 175.800 175.433 0.367 1
1 548 . 1 1 1 A 61 61 ASP HA H 61 5.046 5.160 -0.114 1
1 551 . 1 1 1 A 62 62 THR H H 62 7.972 9.525 -1.553 1
1 552 . 1 1 1 A 62 62 THR N N 62 107.806 120.218 -12.412 1
1 553 . 1 1 1 A 62 62 THR CA C 62 62.626 64.898 -2.272 1
1 554 . 1 1 1 A 62 62 THR CB C 62 66.955 67.215 -0.260 1
1 555 . 1 1 1 A 62 62 THR C C 62 172.355 174.067 -1.712 1
1 556 . 1 1 1 A 62 62 THR HA H 62 4.134 4.045 0.089 1
1 561 . 1 1 1 A 63 63 ASP H H 63 8.333 8.580 -0.247 1
1 562 . 1 1 1 A 63 63 ASP N N 63 119.831 119.931 -0.100 1
1 563 . 1 1 1 A 63 63 ASP CA C 63 51.865 55.582 -3.717 1
1 564 . 1 1 1 A 63 63 ASP CB C 63 39.182 40.738 -1.556 1
1 565 . 1 1 1 A 63 63 ASP C C 63 174.438 176.203 -1.765 1
1 566 . 1 1 1 A 63 63 ASP HA H 63 4.964 4.412 0.552 1
1 569 . 1 1 1 A 64 64 GLY H H 64 8.264 7.842 0.422 1
1 570 . 1 1 1 A 64 64 GLY N N 64 109.142 107.695 1.447 1
1 571 . 1 1 1 A 64 64 GLY CA C 64 42.923 45.857 -2.934 1
1 572 . 1 1 1 A 64 64 GLY C C 64 171.248 173.730 -2.482 1
1 573 . 1 1 1 A 64 64 GLY HA3 H 64 3.652 3.852 -0.200 1
1 574 . 1 1 1 A 64 64 GLY HA2 H 64 3.397 3.060 0.337 1
1 575 . 1 1 1 A 65 65 LEU H H 65 8.636 7.283 1.353 1
1 576 . 1 1 1 A 65 65 LEU N N 65 123.137 119.520 3.617 1
1 577 . 1 1 1 A 65 65 LEU CA C 65 52.224 53.983 -1.759 1
1 578 . 1 1 1 A 65 65 LEU CB C 65 40.557 43.082 -2.525 1
1 579 . 1 1 1 A 65 65 LEU C C 65 174.507 175.487 -0.980 1
1 580 . 1 1 1 A 65 65 LEU HA H 65 4.529 4.942 -0.413 1
1 590 . 1 1 1 A 66 66 LEU H H 66 7.431 8.636 -1.205 1
1 591 . 1 1 1 A 66 66 LEU N N 66 124.493 123.363 1.130 1
1 592 . 1 1 1 A 66 66 LEU CA C 66 51.635 53.752 -2.117 1
1 593 . 1 1 1 A 66 66 LEU CB C 66 40.474 44.091 -3.617 1
1 594 . 1 1 1 A 66 66 LEU C C 66 174.070 175.760 -1.690 1
1 595 . 1 1 1 A 66 66 LEU HA H 66 5.714 5.279 0.435 1
1 605 . 1 1 1 A 67 67 TYR H H 67 9.237 8.671 0.566 1
1 606 . 1 1 1 A 67 67 TYR N N 67 120.360 118.607 1.753 1
1 607 . 1 1 1 A 67 67 TYR CA C 67 54.076 55.274 -1.198 1
1 608 . 1 1 1 A 67 67 TYR CB C 67 38.903 42.069 -3.166 1
1 609 . 1 1 1 A 67 67 TYR C C 67 169.640 174.079 -4.439 1
1 610 . 1 1 1 A 67 67 TYR HA H 67 5.023 5.799 -0.776 1
1 612 . 1 1 1 A 68 68 GLY H H 68 8.928 8.527 0.401 1
1 613 . 1 1 1 A 68 68 GLY N N 68 105.646 106.548 -0.902 1
1 614 . 1 1 1 A 68 68 GLY CA C 68 41.569 45.643 -4.074 1
1 615 . 1 1 1 A 68 68 GLY C C 68 170.551 173.961 -3.410 1
1 616 . 1 1 1 A 68 68 GLY HA2 H 68 4.676 4.222 0.454 1
1 617 . 1 1 1 A 69 69 SER H H 69 9.608 9.192 0.416 1
1 618 . 1 1 1 A 69 69 SER N N 69 120.100 119.306 0.794 1
1 619 . 1 1 1 A 69 69 SER CA C 69 53.737 59.471 -5.734 1
1 620 . 1 1 1 A 69 69 SER CB C 69 63.042 65.933 -2.891 1
1 621 . 1 1 1 A 69 69 SER C C 69 174.219 175.134 -0.915 1
1 622 . 1 1 1 A 69 69 SER HA H 69 4.966 4.844 0.122 1
1 625 . 1 1 1 A 70 70 GLN H H 70 9.343 8.300 1.043 1
1 626 . 1 1 1 A 70 70 GLN N N 70 127.339 118.219 9.120 1
1 627 . 1 1 1 A 70 70 GLN CA C 70 56.139 57.694 -1.555 1
1 628 . 1 1 1 A 70 70 GLN CB C 70 27.092 30.134 -3.042 1
1 629 . 1 1 1 A 70 70 GLN C C 70 173.241 176.117 -2.876 1
1 630 . 1 1 1 A 70 70 GLN HA H 70 4.286 4.141 0.145 1
1 638 . 1 1 1 A 71 71 THR H H 71 7.532 7.732 -0.200 1
1 639 . 1 1 1 A 71 71 THR N N 71 108.100 112.127 -4.027 1
1 640 . 1 1 1 A 71 71 THR CA C 71 55.203 59.347 -4.144 1
1 641 . 1 1 1 A 71 71 THR HA H 71 4.780 5.059 -0.279 1
1 643 . 1 1 1 A 72 72 PRO CA C 72 60.050 62.189 -2.139 1
1 644 . 1 1 1 A 72 72 PRO CB C 72 26.678 31.315 -4.637 1
1 645 . 1 1 1 A 72 72 PRO C C 72 172.920 175.860 -2.940 1
1 646 . 1 1 1 A 72 72 PRO HA H 72 4.173 4.990 -0.817 1
1 649 . 1 1 1 A 73 73 ASN H H 73 7.321 8.116 -0.795 1
1 650 . 1 1 1 A 73 73 ASN N N 73 119.200 121.012 -1.812 1
1 651 . 1 1 1 A 73 73 ASN CA C 73 49.994 51.808 -1.814 1
1 652 . 1 1 1 A 74 74 GLU H H 74 9.030 8.666 0.364 1
1 653 . 1 1 1 A 74 74 GLU CA C 74 57.131 55.166 1.965 1
1 654 . 1 1 1 A 74 74 GLU CB C 74 27.005 29.490 -2.485 1
1 655 . 1 1 1 A 74 74 GLU C C 74 176.352 176.047 0.305 1
1 656 . 1 1 1 A 74 74 GLU HA H 74 4.130 4.506 -0.376 1
1 661 . 1 1 1 A 75 75 GLU H H 75 8.574 8.572 0.002 1
1 662 . 1 1 1 A 75 75 GLU N N 75 119.200 123.917 -4.717 1
1 663 . 1 1 1 A 75 75 GLU CA C 75 56.343 56.457 -0.114 1
1 664 . 1 1 1 A 75 75 GLU CB C 75 26.028 31.608 -5.580 1
1 665 . 1 1 1 A 75 75 GLU C C 75 173.866 177.118 -3.252 1
1 666 . 1 1 1 A 75 75 GLU HA H 75 4.206 4.515 -0.309 1
1 671 . 1 1 1 A 76 76 CYS H H 76 7.727 7.911 -0.184 1
1 672 . 1 1 1 A 76 76 CYS N N 76 113.800 117.734 -3.934 1
1 673 . 1 1 1 A 76 76 CYS CA C 76 55.635 60.441 -4.806 1
1 674 . 1 1 1 A 76 76 CYS CB C 76 26.036 27.259 -1.223 1
1 675 . 1 1 1 A 76 76 CYS C C 76 170.849 174.374 -3.525 1
1 676 . 1 1 1 A 76 76 CYS HA H 76 5.426 4.009 1.417 1
1 679 . 1 1 1 A 77 77 LEU H H 77 6.241 7.125 -0.884 1
1 680 . 1 1 1 A 77 77 LEU N N 77 118.069 123.400 -5.331 1
1 681 . 1 1 1 A 77 77 LEU CA C 77 51.793 54.760 -2.967 1
1 682 . 1 1 1 A 77 77 LEU CB C 77 42.123 41.910 0.213 1
1 683 . 1 1 1 A 77 77 LEU C C 77 173.882 176.068 -2.186 1
1 684 . 1 1 1 A 77 77 LEU HA H 77 4.555 3.793 0.762 1
1 694 . 1 1 1 A 78 78 PHE H H 78 9.067 8.392 0.675 1
1 695 . 1 1 1 A 78 78 PHE N N 78 122.377 123.174 -0.797 1
1 696 . 1 1 1 A 78 78 PHE CA C 78 54.917 56.410 -1.493 1
1 697 . 1 1 1 A 78 78 PHE CB C 78 40.597 43.875 -3.278 1
1 698 . 1 1 1 A 78 78 PHE C C 78 171.853 174.711 -2.858 1
1 699 . 1 1 1 A 78 78 PHE HA H 78 5.169 5.097 0.072 1
1 702 . 1 1 1 A 79 79 LEU H H 79 9.958 8.936 1.022 1
1 703 . 1 1 1 A 79 79 LEU N N 79 122.126 123.282 -1.156 1
1 704 . 1 1 1 A 79 79 LEU CA C 79 51.232 54.404 -3.172 1
1 705 . 1 1 1 A 79 79 LEU CB C 79 38.511 44.379 -5.868 1
1 706 . 1 1 1 A 79 79 LEU C C 79 173.055 175.719 -2.664 1
1 707 . 1 1 1 A 79 79 LEU HA H 79 4.686 5.070 -0.384 1
1 713 . 1 1 1 A 80 80 GLU H H 80 8.347 8.852 -0.505 1
1 714 . 1 1 1 A 80 80 GLU N N 80 126.300 127.930 -1.630 1
1 715 . 1 1 1 A 80 80 GLU CA C 80 52.558 55.168 -2.610 1
1 716 . 1 1 1 A 80 80 GLU CB C 80 30.892 31.520 -0.628 1
1 717 . 1 1 1 A 80 80 GLU C C 80 173.355 175.226 -1.871 1
1 718 . 1 1 1 A 80 80 GLU HA H 80 4.832 5.248 -0.416 1
1 721 . 1 1 1 A 81 81 ARG H H 81 8.840 8.943 -0.103 1
1 722 . 1 1 1 A 81 81 ARG N N 81 129.522 128.857 0.665 1
1 723 . 1 1 1 A 81 81 ARG CA C 81 52.288 55.272 -2.984 1
1 724 . 1 1 1 A 81 81 ARG CB C 81 38.588 32.535 6.053 1
1 725 . 1 1 1 A 81 81 ARG C C 81 172.258 175.004 -2.746 1
1 726 . 1 1 1 A 81 81 ARG HA H 81 4.659 4.942 -0.283 1
1 732 . 1 1 1 A 82 82 LEU H H 82 8.347 9.233 -0.886 1
1 733 . 1 1 1 A 82 82 LEU N N 82 125.700 127.543 -1.843 1
1 734 . 1 1 1 A 82 82 LEU CA C 82 52.631 53.983 -1.352 1
1 735 . 1 1 1 A 82 82 LEU CB C 82 40.304 42.787 -2.483 1
1 736 . 1 1 1 A 82 82 LEU C C 82 174.567 175.761 -1.194 1
1 737 . 1 1 1 A 82 82 LEU HA H 82 4.875 5.020 -0.145 1
1 744 . 1 1 1 A 83 83 GLU H H 83 9.064 8.730 0.334 1
1 745 . 1 1 1 A 83 83 GLU N N 83 125.600 125.987 -0.387 1
1 746 . 1 1 1 A 83 83 GLU CA C 83 51.723 55.941 -4.218 1
1 747 . 1 1 1 A 83 83 GLU CB C 83 43.703 30.852 12.851 1
1 748 . 1 1 1 A 83 83 GLU C C 83 174.885 176.170 -1.285 1
1 749 . 1 1 1 A 83 83 GLU HA H 83 4.974 4.492 0.482 1
1 752 . 1 1 1 A 84 84 GLU H H 84 8.806 8.694 0.112 1
1 753 . 1 1 1 A 84 84 GLU N N 84 120.300 124.906 -4.606 1
1 754 . 1 1 1 A 84 84 GLU CA C 84 55.553 55.747 -0.194 1
1 755 . 1 1 1 A 84 84 GLU CB C 84 27.117 31.022 -3.905 1
1 756 . 1 1 1 A 84 84 GLU C C 84 174.261 176.863 -2.602 1
1 757 . 1 1 1 A 84 84 GLU HA H 84 4.112 4.360 -0.248 1
1 761 . 1 1 1 A 85 85 ASN H H 85 8.429 9.115 -0.686 1
1 762 . 1 1 1 A 85 85 ASN N N 85 114.800 121.135 -6.335 1
1 763 . 1 1 1 A 85 85 ASN CA C 85 51.788 54.298 -2.510 1
1 764 . 1 1 1 A 85 85 ASN CB C 85 35.301 36.803 -1.502 1
1 765 . 1 1 1 A 85 85 ASN C C 85 172.203 174.322 -2.119 1
1 766 . 1 1 1 A 85 85 ASN HA H 85 4.343 4.133 0.210 1
1 769 . 1 1 1 A 86 86 HIS H H 86 8.081 8.019 0.062 1
1 770 . 1 1 1 A 86 86 HIS N N 86 108.737 108.970 -0.233 1
1 771 . 1 1 1 A 86 86 HIS CA C 86 55.255 56.756 -1.501 1
1 772 . 1 1 1 A 86 86 HIS CB C 86 24.858 26.587 -1.729 1
1 773 . 1 1 1 A 86 86 HIS C C 86 171.039 173.430 -2.391 1
1 774 . 1 1 1 A 86 86 HIS HA H 86 4.260 4.017 0.243 1
1 777 . 1 1 1 A 87 87 TYR H H 87 7.592 7.642 -0.050 1
1 778 . 1 1 1 A 87 87 TYR N N 87 117.738 118.559 -0.821 1
1 779 . 1 1 1 A 87 87 TYR CA C 87 56.163 57.401 -1.238 1
1 780 . 1 1 1 A 87 87 TYR CB C 87 38.643 40.793 -2.150 1
1 781 . 1 1 1 A 87 87 TYR C C 87 171.983 175.259 -3.276 1
1 782 . 1 1 1 A 87 87 TYR HA H 87 4.836 4.726 0.110 1
1 784 . 1 1 1 A 88 88 ASN H H 88 9.840 8.768 1.072 1
1 785 . 1 1 1 A 88 88 ASN N N 88 118.891 120.022 -1.131 1
1 786 . 1 1 1 A 88 88 ASN CA C 88 50.063 51.764 -1.701 1
1 787 . 1 1 1 A 88 88 ASN CB C 88 40.242 41.732 -1.490 1
1 788 . 1 1 1 A 88 88 ASN C C 88 172.471 174.199 -1.728 1
1 789 . 1 1 1 A 88 88 ASN HA H 88 5.837 5.687 0.150 1
1 795 . 1 1 1 A 89 89 THR H H 89 8.380 8.820 -0.440 1
1 796 . 1 1 1 A 89 89 THR N N 89 108.521 114.780 -6.259 1
1 797 . 1 1 1 A 89 89 THR CA C 89 57.357 60.272 -2.915 1
1 798 . 1 1 1 A 89 89 THR CB C 89 70.868 72.796 -1.928 1
1 799 . 1 1 1 A 89 89 THR C C 89 170.548 172.598 -2.050 1
1 800 . 1 1 1 A 89 89 THR HA H 89 5.127 5.188 -0.061 1
1 805 . 1 1 1 A 90 90 TYR H H 90 10.247 9.380 0.867 1
1 806 . 1 1 1 A 90 90 TYR N N 90 119.000 121.939 -2.939 1
1 807 . 1 1 1 A 90 90 TYR CA C 90 55.106 56.364 -1.258 1
1 808 . 1 1 1 A 90 90 TYR CB C 90 39.047 42.217 -3.170 1
1 809 . 1 1 1 A 90 90 TYR C C 90 172.442 175.131 -2.689 1
1 810 . 1 1 1 A 90 90 TYR HA H 90 5.472 5.581 -0.109 1
1 812 . 1 1 1 A 91 91 ILE H H 91 8.781 9.896 -1.115 1
1 813 . 1 1 1 A 91 91 ILE N N 91 122.546 123.850 -1.304 1
1 814 . 1 1 1 A 91 91 ILE CA C 91 56.346 60.090 -3.744 1
1 815 . 1 1 1 A 91 91 ILE CB C 91 36.627 40.809 -4.182 1
1 816 . 1 1 1 A 91 91 ILE C C 91 172.924 175.542 -2.618 1
1 817 . 1 1 1 A 91 91 ILE HA H 91 4.673 4.819 -0.146 1
1 826 . 1 1 1 A 92 92 SER H H 92 8.191 9.035 -0.844 1
1 827 . 1 1 1 A 92 92 SER N N 92 120.200 122.836 -2.636 1
1 828 . 1 1 1 A 92 92 SER CA C 92 55.781 58.316 -2.535 1
1 829 . 1 1 1 A 92 92 SER CB C 92 62.382 62.038 0.344 1
1 830 . 1 1 1 A 92 92 SER C C 92 172.863 174.739 -1.876 1
1 831 . 1 1 1 A 92 92 SER HA H 92 4.016 4.513 -0.497 1
1 833 . 1 1 1 A 93 93 LYS H H 93 7.993 8.393 -0.400 1
1 834 . 1 1 1 A 93 93 LYS N N 93 130.618 127.859 2.759 1
1 835 . 1 1 1 A 93 93 LYS CA C 93 57.942 58.471 -0.529 1
1 836 . 1 1 1 A 93 93 LYS CB C 93 30.889 32.505 -1.616 1
1 837 . 1 1 1 A 93 93 LYS C C 93 176.938 178.164 -1.226 1
1 838 . 1 1 1 A 93 93 LYS HA H 93 3.779 4.330 -0.551 1
1 844 . 1 1 1 A 94 94 LYS H H 94 8.616 7.814 0.802 1
1 845 . 1 1 1 A 94 94 LYS N N 94 120.044 119.899 0.145 1
1 846 . 1 1 1 A 94 94 LYS CA C 94 55.868 59.035 -3.167 1
1 847 . 1 1 1 A 94 94 LYS CB C 94 30.329 32.781 -2.452 1
1 848 . 1 1 1 A 94 94 LYS C C 94 174.491 177.984 -3.493 1
1 849 . 1 1 1 A 94 94 LYS HA H 94 3.851 4.115 -0.264 1
1 856 . 1 1 1 A 95 95 HIS H H 95 7.249 8.828 -1.579 1
1 857 . 1 1 1 A 95 95 HIS N N 95 114.486 116.345 -1.859 1
1 858 . 1 1 1 A 95 95 HIS CA C 95 51.180 54.817 -3.637 1
1 859 . 1 1 1 A 95 95 HIS CB C 95 26.844 28.817 -1.973 1
1 860 . 1 1 1 A 95 95 HIS C C 95 173.734 175.926 -2.192 1
1 861 . 1 1 1 A 95 95 HIS HA H 95 4.604 4.894 -0.290 1
1 864 . 1 1 1 A 96 96 ALA H H 96 7.104 7.897 -0.793 1
1 865 . 1 1 1 A 96 96 ALA N N 96 125.204 124.009 1.195 1
1 866 . 1 1 1 A 96 96 ALA CA C 96 53.758 55.331 -1.573 1
1 867 . 1 1 1 A 96 96 ALA CB C 96 16.578 18.584 -2.006 1
1 868 . 1 1 1 A 96 96 ALA C C 96 178.508 179.849 -1.341 1
1 869 . 1 1 1 A 96 96 ALA HA H 96 4.131 3.901 0.230 1
1 873 . 1 1 1 A 97 97 GLU H H 97 8.857 8.195 0.662 1
1 874 . 1 1 1 A 97 97 GLU N N 97 118.007 118.708 -0.701 1
1 875 . 1 1 1 A 97 97 GLU CA C 97 56.153 59.364 -3.211 1
1 876 . 1 1 1 A 97 97 GLU CB C 97 26.241 29.569 -3.328 1
1 877 . 1 1 1 A 97 97 GLU C C 97 174.813 177.870 -3.057 1
1 878 . 1 1 1 A 97 97 GLU HA H 97 4.063 4.044 0.019 1
1 882 . 1 1 1 A 98 98 LYS H H 98 7.116 7.888 -0.772 1
1 883 . 1 1 1 A 98 98 LYS N N 98 116.241 116.704 -0.463 1
1 884 . 1 1 1 A 98 98 LYS CA C 98 52.852 56.074 -3.222 1
1 885 . 1 1 1 A 98 98 LYS CB C 98 29.959 32.598 -2.639 1
1 886 . 1 1 1 A 98 98 LYS C C 98 173.361 175.732 -2.371 1
1 887 . 1 1 1 A 98 98 LYS HA H 98 4.280 4.408 -0.128 1
1 893 . 1 1 1 A 99 99 ASN H H 99 7.842 8.088 -0.246 1
1 894 . 1 1 1 A 99 99 ASN N N 99 113.000 114.423 -1.423 1
1 895 . 1 1 1 A 99 99 ASN CA C 99 52.240 54.648 -2.408 1
1 896 . 1 1 1 A 99 99 ASN CB C 99 35.289 36.952 -1.663 1
1 897 . 1 1 1 A 99 99 ASN C C 99 170.506 173.996 -3.490 1
1 898 . 1 1 1 A 99 99 ASN HA H 99 3.772 4.394 -0.622 1
1 904 . 1 1 1 A 100 100 TRP H H 100 6.369 8.016 -1.647 1
1 905 . 1 1 1 A 100 100 TRP N N 100 116.000 121.048 -5.048 1
1 906 . 1 1 1 A 100 100 TRP CA C 100 53.179 58.475 -5.296 1
1 907 . 1 1 1 A 100 100 TRP CB C 100 28.228 30.398 -2.170 1
1 908 . 1 1 1 A 100 100 TRP C C 100 171.701 175.716 -4.015 1
1 909 . 1 1 1 A 100 100 TRP HA H 100 4.816 4.663 0.153 1
1 912 . 1 1 1 A 101 101 PHE H H 101 8.026 9.397 -1.371 1
1 913 . 1 1 1 A 101 101 PHE N N 101 124.185 125.722 -1.537 1
1 914 . 1 1 1 A 101 101 PHE CA C 101 55.472 57.075 -1.603 1
1 915 . 1 1 1 A 101 101 PHE CB C 101 39.220 40.948 -1.728 1
1 916 . 1 1 1 A 101 101 PHE C C 101 175.044 175.299 -0.255 1
1 917 . 1 1 1 A 101 101 PHE HA H 101 5.373 5.115 0.258 1
1 920 . 1 1 1 A 102 102 VAL H H 102 8.499 8.882 -0.383 1
1 921 . 1 1 1 A 102 102 VAL N N 102 120.282 123.229 -2.947 1
1 922 . 1 1 1 A 102 102 VAL CA C 102 60.975 61.465 -0.490 1
1 923 . 1 1 1 A 102 102 VAL CB C 102 30.243 31.528 -1.285 1
1 924 . 1 1 1 A 102 102 VAL C C 102 174.220 175.750 -1.530 1
1 925 . 1 1 1 A 102 102 VAL HA H 102 3.939 4.202 -0.263 1
1 930 . 1 1 1 A 103 103 GLY H H 103 8.996 8.640 0.356 1
1 931 . 1 1 1 A 103 103 GLY N N 103 114.668 115.323 -0.655 1
1 932 . 1 1 1 A 103 103 GLY CA C 103 43.802 44.590 -0.788 1
1 933 . 1 1 1 A 103 103 GLY C C 103 169.388 172.535 -3.147 1
1 934 . 1 1 1 A 103 103 GLY HA2 H 103 5.275 4.349 0.926 1
1 935 . 1 1 1 A 103 103 GLY HA3 H 103 3.180 4.628 -1.448 1
1 936 . 1 1 1 A 104 104 LEU H H 104 8.118 8.855 -0.737 1
1 937 . 1 1 1 A 104 104 LEU N N 104 119.100 121.462 -2.362 1
1 938 . 1 1 1 A 104 104 LEU CA C 104 51.207 52.455 -1.248 1
1 939 . 1 1 1 A 104 104 LEU CB C 104 43.579 45.455 -1.876 1
1 940 . 1 1 1 A 104 104 LEU C C 104 174.252 174.647 -0.395 1
1 941 . 1 1 1 A 104 104 LEU HA H 104 4.959 5.182 -0.223 1
1 950 . 1 1 1 A 105 105 LYS H H 105 8.847 8.410 0.437 1
1 951 . 1 1 1 A 105 105 LYS N N 105 118.900 122.126 -3.226 1
1 952 . 1 1 1 A 105 105 LYS CA C 105 54.035 55.153 -1.118 1
1 953 . 1 1 1 A 105 105 LYS C C 105 176.404 176.512 -0.108 1
1 954 . 1 1 1 A 105 105 LYS HA H 105 4.215 4.600 -0.385 1
1 960 . 1 1 1 A 106 106 LYS H H 106 8.980 8.655 0.325 1
1 961 . 1 1 1 A 106 106 LYS N N 106 122.172 125.089 -2.917 1
1 962 . 1 1 1 A 106 106 LYS CA C 106 57.672 58.958 -1.286 1
1 963 . 1 1 1 A 106 106 LYS CB C 106 29.780 32.211 -2.431 1
1 964 . 1 1 1 A 106 106 LYS C C 106 174.499 178.395 -3.896 1
1 965 . 1 1 1 A 106 106 LYS HA H 106 3.624 4.080 -0.456 1
1 970 . 1 1 1 A 107 107 ASN H H 107 7.352 8.949 -1.597 1
1 971 . 1 1 1 A 107 107 ASN N N 107 112.743 117.839 -5.096 1
1 972 . 1 1 1 A 107 107 ASN CA C 107 49.523 54.055 -4.532 1
1 973 . 1 1 1 A 107 107 ASN CB C 107 35.121 36.908 -1.787 1
1 974 . 1 1 1 A 107 107 ASN C C 107 174.511 175.551 -1.040 1
1 975 . 1 1 1 A 107 107 ASN HA H 107 4.678 4.467 0.211 1
1 978 . 1 1 1 A 108 108 GLY H H 108 7.656 8.077 -0.421 1
1 979 . 1 1 1 A 108 108 GLY N N 108 109.900 109.066 0.834 1
1 980 . 1 1 1 A 108 108 GLY CA C 108 42.207 46.330 -4.123 1
1 981 . 1 1 1 A 108 108 GLY C C 108 169.305 174.205 -4.900 1
1 982 . 1 1 1 A 108 108 GLY HA3 H 108 3.358 4.058 -0.700 1
1 983 . 1 1 1 A 108 108 GLY HA2 H 108 2.111 4.043 -1.932 1
1 984 . 1 1 1 A 109 109 SER H H 109 7.280 8.206 -0.926 1
1 985 . 1 1 1 A 109 109 SER N N 109 112.357 111.583 0.774 1
1 986 . 1 1 1 A 109 109 SER CA C 109 55.139 56.749 -1.610 1
1 987 . 1 1 1 A 109 109 SER CB C 109 62.749 64.698 -1.949 1
1 988 . 1 1 1 A 109 109 SER C C 109 171.244 172.838 -1.594 1
1 989 . 1 1 1 A 109 109 SER HA H 109 4.755 4.570 0.185 1
1 992 . 1 1 1 A 110 110 CYS H H 110 9.070 8.524 0.546 1
1 993 . 1 1 1 A 110 110 CYS N N 110 119.883 121.686 -1.803 1
1 994 . 1 1 1 A 110 110 CYS CA C 110 57.858 58.578 -0.720 1
1 995 . 1 1 1 A 110 110 CYS CB C 110 37.322 28.620 8.702 1
1 996 . 1 1 1 A 110 110 CYS C C 110 172.131 174.771 -2.640 1
1 997 . 1 1 1 A 110 110 CYS HA H 110 4.296 4.592 -0.296 1
1 1000 . 1 1 1 A 111 111 LYS H H 111 8.095 8.621 -0.526 1
1 1001 . 1 1 1 A 111 111 LYS N N 111 128.642 122.600 6.042 1
1 1002 . 1 1 1 A 111 111 LYS CA C 111 52.117 56.864 -4.747 1
1 1003 . 1 1 1 A 111 111 LYS CB C 111 30.980 33.170 -2.190 1
1 1004 . 1 1 1 A 111 111 LYS C C 111 172.265 175.989 -3.724 1
1 1005 . 1 1 1 A 111 111 LYS HA H 111 4.380 4.379 0.001 1
1 1010 . 1 1 1 A 112 112 ARG H H 112 8.566 8.561 0.005 1
1 1011 . 1 1 1 A 112 112 ARG N N 112 124.700 121.938 2.762 1
1 1012 . 1 1 1 A 112 112 ARG CA C 112 54.295 54.288 0.007 1
1 1013 . 1 1 1 A 112 112 ARG CB C 112 28.927 31.437 -2.510 1
1 1014 . 1 1 1 A 112 112 ARG C C 112 175.240 176.802 -1.562 1
1 1015 . 1 1 1 A 112 112 ARG HA H 112 4.252 4.821 -0.569 1
1 1021 . 1 1 1 A 113 113 GLY H H 113 9.408 9.097 0.311 1
1 1022 . 1 1 1 A 113 113 GLY N N 113 106.636 112.787 -6.151 1
1 1023 . 1 1 1 A 113 113 GLY CA C 113 44.552 47.582 -3.030 1
1 1024 . 1 1 1 A 113 113 GLY C C 113 169.610 175.469 -5.859 1
1 1025 . 1 1 1 A 113 113 GLY HA2 H 113 1.510 3.591 -2.081 1
1 1026 . 1 1 1 A 114 114 PRO CA C 114 62.529 65.293 -2.764 1
1 1027 . 1 1 1 A 114 114 PRO C C 114 174.543 176.877 -2.334 1
1 1028 . 1 1 1 A 114 114 PRO HA H 114 4.321 4.489 -0.168 1
1 1033 . 1 1 1 A 115 115 ARG H H 115 8.067 7.868 0.199 1
1 1034 . 1 1 1 A 115 115 ARG N N 115 114.500 116.963 -2.463 1
1 1035 . 1 1 1 A 115 115 ARG CA C 115 52.011 55.403 -3.392 1
1 1036 . 1 1 1 A 115 115 ARG CB C 115 27.143 31.298 -4.155 1
1 1037 . 1 1 1 A 115 115 ARG C C 115 174.680 175.103 -0.423 1
1 1038 . 1 1 1 A 115 115 ARG HA H 115 4.508 4.201 0.307 1
1 1043 . 1 1 1 A 116 116 THR H H 116 7.643 7.438 0.205 1
1 1044 . 1 1 1 A 116 116 THR N N 116 111.716 112.517 -0.801 1
1 1045 . 1 1 1 A 116 116 THR CA C 116 58.712 61.624 -2.912 1
1 1046 . 1 1 1 A 116 116 THR CB C 116 70.086 69.179 0.907 1
1 1047 . 1 1 1 A 116 116 THR C C 116 172.573 174.025 -1.452 1
1 1048 . 1 1 1 A 116 116 THR HA H 116 5.198 4.202 0.996 1
1 1053 . 1 1 1 A 117 117 HIS H H 117 7.091 8.048 -0.957 1
1 1054 . 1 1 1 A 117 117 HIS N N 117 112.914 119.650 -6.736 1
1 1055 . 1 1 1 A 117 117 HIS CA C 117 53.291 54.382 -1.091 1
1 1056 . 1 1 1 A 117 117 HIS CB C 117 29.133 31.242 -2.109 1
1 1057 . 1 1 1 A 117 117 HIS C C 117 170.344 171.576 -1.232 1
1 1058 . 1 1 1 A 117 117 HIS HA H 117 4.868 3.743 1.125 1
1 1061 . 1 1 1 A 118 118 TYR H H 118 9.020 8.678 0.342 1
1 1062 . 1 1 1 A 118 118 TYR N N 118 123.051 118.819 4.232 1
1 1063 . 1 1 1 A 118 118 TYR CA C 118 58.801 56.711 2.090 1
1 1064 . 1 1 1 A 118 118 TYR CB C 118 29.959 36.840 -6.881 1
1 1065 . 1 1 1 A 118 118 TYR C C 118 174.446 175.950 -1.504 1
1 1066 . 1 1 1 A 118 118 TYR HA H 118 3.897 4.517 -0.620 1
1 1069 . 1 1 1 A 119 119 GLY H H 119 7.999 8.925 -0.926 1
1 1070 . 1 1 1 A 119 119 GLY N N 119 116.885 112.256 4.629 1
1 1071 . 1 1 1 A 119 119 GLY CA C 119 42.599 46.059 -3.460 1
1 1072 . 1 1 1 A 119 119 GLY C C 119 172.439 173.698 -1.259 1
1 1073 . 1 1 1 A 119 119 GLY HA3 H 119 4.385 4.072 0.313 1
1 1074 . 1 1 1 A 119 119 GLY HA2 H 119 3.296 3.990 -0.694 1
1 1075 . 1 1 1 A 120 120 GLN H H 120 7.003 7.607 -0.604 1
1 1076 . 1 1 1 A 120 120 GLN N N 120 118.266 118.589 -0.323 1
1 1077 . 1 1 1 A 120 120 GLN CA C 120 52.617 53.808 -1.191 1
1 1078 . 1 1 1 A 120 120 GLN CB C 120 27.324 32.324 -5.000 1
1 1079 . 1 1 1 A 120 120 GLN C C 120 174.995 175.567 -0.572 1
1 1080 . 1 1 1 A 120 120 GLN HA H 120 4.262 4.760 -0.498 1
1 1083 . 1 1 1 A 121 121 LYS H H 121 8.477 8.806 -0.329 1
1 1084 . 1 1 1 A 121 121 LYS N N 121 121.222 123.534 -2.312 1
1 1085 . 1 1 1 A 121 121 LYS CA C 121 56.243 56.813 -0.570 1
1 1086 . 1 1 1 A 121 121 LYS CB C 121 29.598 31.945 -2.347 1
1 1087 . 1 1 1 A 121 121 LYS C C 121 172.702 177.205 -4.503 1
1 1088 . 1 1 1 A 121 121 LYS HA H 121 3.809 4.340 -0.531 1
1 1093 . 1 1 1 A 122 122 ALA H H 122 7.526 7.543 -0.017 1
1 1094 . 1 1 1 A 122 122 ALA N N 122 116.019 121.426 -5.407 1
1 1095 . 1 1 1 A 122 122 ALA CA C 122 52.338 52.871 -0.533 1
1 1096 . 1 1 1 A 122 122 ALA CB C 122 18.675 18.778 -0.103 1
1 1097 . 1 1 1 A 122 122 ALA C C 122 172.756 177.658 -4.902 1
1 1098 . 1 1 1 A 122 122 ALA HA H 122 3.947 4.214 -0.267 1
1 1102 . 1 1 1 A 123 123 ILE H H 123 5.794 7.492 -1.698 1
1 1103 . 1 1 1 A 123 123 ILE N N 123 101.200 115.146 -13.946 1
1 1104 . 1 1 1 A 123 123 ILE CA C 123 57.297 60.816 -3.519 1
1 1105 . 1 1 1 A 123 123 ILE CB C 123 35.425 37.457 -2.032 1
1 1106 . 1 1 1 A 123 123 ILE C C 123 172.790 175.050 -2.260 1
1 1107 . 1 1 1 A 123 123 ILE HA H 123 5.184 4.097 1.087 1
1 1116 . 1 1 1 A 124 124 LEU H H 124 6.716 6.790 -0.074 1
1 1117 . 1 1 1 A 124 124 LEU N N 124 121.554 124.870 -3.316 1
1 1118 . 1 1 1 A 124 124 LEU CA C 124 51.686 52.783 -1.097 1
1 1119 . 1 1 1 A 124 124 LEU CB C 124 39.622 43.959 -4.337 1
1 1120 . 1 1 1 A 124 124 LEU C C 124 173.411 174.909 -1.498 1
1 1121 . 1 1 1 A 124 124 LEU HA H 124 4.597 4.354 0.243 1
1 1130 . 1 1 1 A 125 125 PHE H H 125 9.226 8.238 0.988 1
1 1131 . 1 1 1 A 125 125 PHE N N 125 121.900 122.460 -0.560 1
1 1132 . 1 1 1 A 125 125 PHE CA C 125 54.604 55.493 -0.889 1
1 1133 . 1 1 1 A 125 125 PHE CB C 125 41.692 42.248 -0.556 1
1 1134 . 1 1 1 A 125 125 PHE C C 125 172.768 173.553 -0.785 1
1 1135 . 1 1 1 A 125 125 PHE HA H 125 5.612 5.441 0.171 1
1 1138 . 1 1 1 A 126 126 LEU H H 126 9.932 9.112 0.820 1
1 1139 . 1 1 1 A 126 126 LEU N N 126 125.427 120.947 4.480 1
1 1140 . 1 1 1 A 126 126 LEU CA C 126 48.875 51.123 -2.248 1
1 1141 . 1 1 1 A 127 127 PRO CA C 127 58.907 62.218 -3.311 1
1 1142 . 1 1 1 A 127 127 PRO CB C 127 28.730 31.482 -2.752 1
1 1143 . 1 1 1 A 127 127 PRO C C 127 174.541 176.098 -1.557 1
1 1144 . 1 1 1 A 127 127 PRO HA H 127 5.587 5.101 0.486 1
1 1147 . 1 1 1 A 128 128 LEU H H 128 9.674 8.372 1.302 1
1 1148 . 1 1 1 A 128 128 LEU N N 128 129.196 125.222 3.974 1
1 1149 . 1 1 1 A 128 128 LEU CA C 128 49.523 52.151 -2.628 1
1 1150 . 1 1 1 A 128 128 LEU C C 128 175.960 175.099 0.861 1
1 1151 . 1 1 1 A 129 129 PRO CA C 129 60.043 62.157 -2.114 1
1 1152 . 1 1 1 A 129 129 PRO CB C 129 29.800 32.439 -2.639 1
1 1153 . 1 1 1 A 129 129 PRO C C 129 174.414 176.841 -2.427 1
1 1154 . 1 1 1 A 129 129 PRO HA H 129 4.710 4.644 0.066 1
1 1160 . 1 1 1 A 130 130 VAL H H 130 7.992 8.254 -0.262 1
1 1161 . 1 1 1 A 130 130 VAL N N 130 118.275 118.498 -0.223 1
1 1162 . 1 1 1 A 130 130 VAL CA C 130 61.494 61.570 -0.076 1
1 1163 . 1 1 1 A 130 130 VAL CB C 130 29.649 32.412 -2.763 1
1 1164 . 1 1 1 A 130 130 VAL C C 130 174.097 176.192 -2.095 1
1 1165 . 1 1 1 A 130 130 VAL HA H 130 3.794 4.165 -0.371 1
1 1173 . 1 1 1 A 131 131 SER H H 131 7.844 8.638 -0.794 1
1 1174 . 1 1 1 A 131 131 SER N N 131 115.853 121.079 -5.226 1
1 1175 . 1 1 1 A 131 131 SER CA C 131 55.233 55.590 -0.357 1
1 1176 . 1 1 1 A 131 131 SER CB C 131 61.375 65.887 -4.512 1
1 1177 . 1 1 1 A 131 131 SER C C 131 173.574 173.962 -0.388 1
1 1178 . 1 1 1 A 131 131 SER HA H 131 4.218 5.353 -1.135 1
1 1181 . 1 1 1 A 132 132 SER H H 132 8.196 8.703 -0.507 1
1 1182 . 1 1 1 A 132 132 SER N N 132 118.100 120.321 -2.221 1
1 1183 . 1 1 1 A 132 132 SER CA C 132 56.021 58.307 -2.286 1
1 1184 . 1 1 1 A 132 132 SER CB C 132 61.848 63.167 -1.319 1
1 1185 . 1 1 1 A 132 132 SER C C 132 170.997 173.367 -2.370 1
1 1186 . 1 1 1 A 132 132 SER HA H 132 4.484 4.926 -0.442 1
1 12 . 2 1 1 A 2 2 LYS H H 2 7.955 8.979 -1.024 1
1 13 . 2 1 1 A 2 2 LYS N N 2 120.000 119.289 0.711 1
1 14 . 2 1 1 A 2 2 LYS CA C 2 51.913 54.795 -2.882 1
1 15 . 2 1 1 A 2 2 LYS C C 2 174.300 174.803 -0.503 1
1 16 . 2 1 1 A 2 2 LYS HA H 2 4.270 5.182 -0.912 1
1 18 . 2 1 1 A 3 3 LYS H H 3 7.960 8.466 -0.506 1
1 19 . 2 1 1 A 3 3 LYS N N 3 119.640 120.527 -0.887 1
1 20 . 2 1 1 A 3 3 LYS CA C 3 51.900 53.174 -1.274 1
1 21 . 2 1 1 A 3 3 LYS HA H 3 4.600 4.736 -0.136 1
1 24 . 2 1 1 A 4 4 PRO CA C 4 60.687 63.284 -2.597 1
1 25 . 2 1 1 A 4 4 PRO C C 4 172.359 177.346 -4.987 1
1 26 . 2 1 1 A 4 4 PRO CB C 4 30.627 31.827 -1.200 1
1 27 . 2 1 1 A 4 4 PRO HA H 4 4.716 4.445 0.271 1
1 29 . 2 1 1 A 5 5 LYS H H 5 9.357 8.312 1.045 1
1 30 . 2 1 1 A 5 5 LYS N N 5 119.100 121.967 -2.867 1
1 31 . 2 1 1 A 5 5 LYS CA C 5 51.445 56.290 -4.845 1
1 32 . 2 1 1 A 5 5 LYS CB C 5 34.945 33.245 1.700 1
1 33 . 2 1 1 A 5 5 LYS C C 5 171.776 175.980 -4.204 1
1 34 . 2 1 1 A 5 5 LYS HA H 5 5.062 4.605 0.457 1
1 37 . 2 1 1 A 6 6 LEU H H 6 8.944 8.922 0.022 1
1 38 . 2 1 1 A 6 6 LEU N N 6 117.400 123.729 -6.329 1
1 39 . 2 1 1 A 6 6 LEU CA C 6 50.259 53.654 -3.395 1
1 40 . 2 1 1 A 6 6 LEU CB C 6 41.472 44.841 -3.369 1
1 41 . 2 1 1 A 6 6 LEU C C 6 174.676 175.614 -0.938 1
1 42 . 2 1 1 A 6 6 LEU HA H 6 4.984 5.016 -0.032 1
1 51 . 2 1 1 A 7 7 LEU H H 7 10.297 8.927 1.370 1
1 52 . 2 1 1 A 7 7 LEU N N 7 125.000 127.680 -2.680 1
1 53 . 2 1 1 A 7 7 LEU CA C 7 53.596 53.687 -0.091 1
1 54 . 2 1 1 A 7 7 LEU C C 7 172.290 175.300 -3.010 1
1 55 . 2 1 1 A 7 7 LEU HA H 7 5.083 5.003 0.080 1
1 65 . 2 1 1 A 8 8 TYR H H 8 8.483 9.016 -0.533 1
1 66 . 2 1 1 A 8 8 TYR N N 8 125.000 128.921 -3.921 1
1 67 . 2 1 1 A 8 8 TYR CA C 8 54.761 56.146 -1.385 1
1 68 . 2 1 1 A 8 8 TYR CB C 8 37.988 39.784 -1.796 1
1 69 . 2 1 1 A 8 8 TYR C C 8 171.270 174.327 -3.057 1
1 70 . 2 1 1 A 8 8 TYR HA H 8 4.592 5.162 -0.570 1
1 73 . 2 1 1 A 9 9 CYS H H 9 9.235 9.004 0.231 1
1 74 . 2 1 1 A 9 9 CYS N N 9 130.104 128.507 1.597 1
1 75 . 2 1 1 A 9 9 CYS CA C 9 55.588 57.370 -1.782 1
1 76 . 2 1 1 A 9 9 CYS CB C 9 26.864 27.716 -0.852 1
1 77 . 2 1 1 A 9 9 CYS C C 9 172.619 172.956 -0.337 1
1 78 . 2 1 1 A 9 9 CYS HA H 9 4.163 5.077 -0.914 1
1 82 . 2 1 1 A 10 10 SER H H 10 8.173 8.313 -0.140 1
1 83 . 2 1 1 A 10 10 SER N N 10 122.600 118.666 3.934 1
1 84 . 2 1 1 A 10 10 SER CA C 10 57.853 56.526 1.327 1
1 85 . 2 1 1 A 10 10 SER CB C 10 61.820 65.765 -3.945 1
1 86 . 2 1 1 A 10 10 SER C C 10 172.210 172.079 0.131 1
1 87 . 2 1 1 A 10 10 SER HA H 10 3.920 4.864 -0.944 1
1 89 . 2 1 1 A 11 11 ASN H H 11 7.450 8.757 -1.307 1
1 90 . 2 1 1 A 11 11 ASN N N 11 119.550 121.355 -1.805 1
1 91 . 2 1 1 A 11 11 ASN CA C 11 52.430 51.973 0.457 1
1 92 . 2 1 1 A 11 11 ASN HA H 11 4.360 4.990 -0.630 1
1 94 . 2 1 1 A 12 12 GLY C C 12 171.806 172.457 -0.651 1
1 95 . 2 1 1 A 12 12 GLY CA C 12 41.915 45.970 -4.055 1
1 96 . 2 1 1 A 12 12 GLY HA3 H 12 3.927 4.149 -0.222 1
1 97 . 2 1 1 A 12 12 GLY H H 12 7.096 8.371 -1.275 1
1 98 . 2 1 1 A 12 12 GLY N N 12 109.300 112.569 -3.269 1
1 99 . 2 1 1 A 13 13 GLY H H 13 7.096 7.399 -0.303 1
1 100 . 2 1 1 A 13 13 GLY N N 13 109.300 106.142 3.158 1
1 101 . 2 1 1 A 13 13 GLY CA C 13 44.272 45.419 -1.147 1
1 102 . 2 1 1 A 13 13 GLY C C 13 170.445 172.686 -2.241 1
1 103 . 2 1 1 A 13 13 GLY HA2 H 13 3.598 4.149 -0.551 1
1 104 . 2 1 1 A 13 13 GLY HA3 H 13 3.204 4.247 -1.043 1
1 105 . 2 1 1 A 14 14 HIS H H 14 6.302 8.671 -2.369 1
1 106 . 2 1 1 A 14 14 HIS N N 14 113.600 119.290 -5.690 1
1 107 . 2 1 1 A 14 14 HIS CA C 14 54.319 54.099 0.220 1
1 108 . 2 1 1 A 14 14 HIS CB C 14 31.792 34.429 -2.637 1
1 109 . 2 1 1 A 14 14 HIS C C 14 171.281 173.456 -2.175 1
1 110 . 2 1 1 A 14 14 HIS HA H 14 4.104 4.865 -0.761 1
1 113 . 2 1 1 A 15 15 PHE H H 15 9.298 8.913 0.385 1
1 114 . 2 1 1 A 15 15 PHE N N 15 120.700 117.764 2.936 1
1 115 . 2 1 1 A 15 15 PHE CA C 15 54.273 56.419 -2.146 1
1 116 . 2 1 1 A 15 15 PHE CB C 15 37.632 43.120 -5.488 1
1 117 . 2 1 1 A 15 15 PHE C C 15 173.938 174.626 -0.688 1
1 118 . 2 1 1 A 15 15 PHE HA H 15 5.390 5.074 0.316 1
1 121 . 2 1 1 A 16 16 LEU H H 16 8.480 8.360 0.120 1
1 122 . 2 1 1 A 16 16 LEU N N 16 124.700 125.991 -1.291 1
1 123 . 2 1 1 A 16 16 LEU CA C 16 54.440 55.219 -0.779 1
1 124 . 2 1 1 A 16 16 LEU C C 16 171.758 175.154 -3.396 1
1 125 . 2 1 1 A 16 16 LEU CB C 16 41.301 43.239 -1.938 1
1 126 . 2 1 1 A 16 16 LEU HA H 16 4.394 5.474 -1.080 1
1 129 . 2 1 1 A 17 17 ARG H H 17 9.339 9.477 -0.138 1
1 130 . 2 1 1 A 17 17 ARG N N 17 126.971 125.427 1.544 1
1 131 . 2 1 1 A 17 17 ARG CA C 17 53.301 54.193 -0.892 1
1 132 . 2 1 1 A 17 17 ARG CB C 17 32.620 33.921 -1.301 1
1 133 . 2 1 1 A 17 17 ARG C C 17 171.302 175.157 -3.855 1
1 134 . 2 1 1 A 17 17 ARG HA H 17 4.715 5.248 -0.533 1
1 141 . 2 1 1 A 18 18 ILE H H 18 6.989 8.612 -1.623 1
1 142 . 2 1 1 A 18 18 ILE N N 18 120.966 119.045 1.921 1
1 143 . 2 1 1 A 18 18 ILE CA C 18 57.903 60.111 -2.208 1
1 144 . 2 1 1 A 18 18 ILE C C 18 173.747 175.197 -1.450 1
1 145 . 2 1 1 A 18 18 ILE HA H 18 4.563 4.757 -0.194 1
1 150 . 2 1 1 A 19 19 LEU H H 19 8.940 8.896 0.044 1
1 151 . 2 1 1 A 19 19 LEU N N 19 128.097 127.036 1.061 1
1 152 . 2 1 1 A 19 19 LEU CA C 19 51.419 52.221 -0.802 1
1 153 . 2 1 1 A 20 20 PRO CA C 20 62.710 64.052 -1.342 1
1 154 . 2 1 1 A 20 20 PRO CB C 20 29.518 31.972 -2.454 1
1 155 . 2 1 1 A 20 20 PRO C C 20 173.966 177.063 -3.097 1
1 156 . 2 1 1 A 20 20 PRO HA H 20 4.319 4.615 -0.296 1
1 161 . 2 1 1 A 21 21 ASP H H 21 7.415 8.027 -0.612 1
1 162 . 2 1 1 A 21 21 ASP N N 21 114.000 117.893 -3.893 1
1 163 . 2 1 1 A 21 21 ASP CA C 21 51.361 54.053 -2.692 1
1 164 . 2 1 1 A 21 21 ASP CB C 21 37.419 41.501 -4.082 1
1 165 . 2 1 1 A 21 21 ASP C C 21 174.570 176.757 -2.187 1
1 166 . 2 1 1 A 21 21 ASP HA H 21 4.513 4.711 -0.198 1
1 169 . 2 1 1 A 22 22 GLY H H 22 8.404 8.333 0.071 1
1 170 . 2 1 1 A 22 22 GLY N N 22 109.100 108.720 0.380 1
1 171 . 2 1 1 A 22 22 GLY CA C 22 43.166 46.411 -3.245 1
1 172 . 2 1 1 A 22 22 GLY C C 22 172.565 174.381 -1.816 1
1 173 . 2 1 1 A 22 22 GLY HA3 H 22 4.632 4.080 0.552 1
1 174 . 2 1 1 A 22 22 GLY HA2 H 22 3.838 4.065 -0.227 1
1 175 . 2 1 1 A 23 23 THR H H 23 7.894 7.737 0.157 1
1 176 . 2 1 1 A 23 23 THR N N 23 116.800 114.416 2.384 1
1 177 . 2 1 1 A 23 23 THR CA C 23 61.304 61.279 0.025 1
1 178 . 2 1 1 A 23 23 THR CB C 23 67.455 71.558 -4.103 1
1 179 . 2 1 1 A 23 23 THR C C 23 170.170 173.355 -3.185 1
1 180 . 2 1 1 A 23 23 THR HA H 23 4.489 4.787 -0.298 1
1 185 . 2 1 1 A 24 24 VAL H H 24 7.792 8.883 -1.091 1
1 186 . 2 1 1 A 24 24 VAL N N 24 123.100 127.496 -4.396 1
1 187 . 2 1 1 A 24 24 VAL CA C 24 58.203 62.175 -3.972 1
1 188 . 2 1 1 A 24 24 VAL CB C 24 31.847 31.377 0.470 1
1 189 . 2 1 1 A 24 24 VAL C C 24 171.629 174.842 -3.213 1
1 190 . 2 1 1 A 24 24 VAL HA H 24 5.084 4.516 0.568 1
1 195 . 2 1 1 A 25 25 ASP H H 25 8.906 8.433 0.473 1
1 196 . 2 1 1 A 25 25 ASP N N 25 131.200 124.965 6.235 1
1 197 . 2 1 1 A 25 25 ASP CA C 25 50.847 52.292 -1.445 1
1 198 . 2 1 1 A 25 25 ASP CB C 25 38.730 44.833 -6.103 1
1 199 . 2 1 1 A 25 25 ASP C C 25 170.281 174.465 -4.184 1
1 200 . 2 1 1 A 25 25 ASP HA H 25 4.313 5.315 -1.002 1
1 203 . 2 1 1 A 26 26 GLY H H 26 7.891 8.685 -0.794 1
1 204 . 2 1 1 A 26 26 GLY N N 26 102.500 109.073 -6.573 1
1 205 . 2 1 1 A 26 26 GLY CA C 26 42.057 44.995 -2.938 1
1 206 . 2 1 1 A 26 26 GLY C C 26 169.975 172.795 -2.820 1
1 207 . 2 1 1 A 26 26 GLY HA3 H 26 5.529 4.142 1.387 1
1 208 . 2 1 1 A 26 26 GLY HA2 H 26 3.015 4.118 -1.103 1
1 209 . 2 1 1 A 27 27 THR H H 27 8.529 9.382 -0.853 1
1 210 . 2 1 1 A 27 27 THR N N 27 112.700 118.153 -5.453 1
1 211 . 2 1 1 A 27 27 THR CA C 27 56.740 60.656 -3.916 1
1 212 . 2 1 1 A 27 27 THR CB C 27 67.326 72.424 -5.098 1
1 213 . 2 1 1 A 27 27 THR C C 27 170.554 172.964 -2.410 1
1 214 . 2 1 1 A 27 27 THR HA H 27 5.189 4.206 0.983 1
1 219 . 2 1 1 A 28 28 ARG H H 28 8.993 8.164 0.829 1
1 220 . 2 1 1 A 28 28 ARG N N 28 127.500 123.848 3.652 1
1 221 . 2 1 1 A 28 28 ARG CA C 28 54.938 55.941 -1.003 1
1 222 . 2 1 1 A 28 28 ARG CB C 28 37.260 30.674 6.586 1
1 223 . 2 1 1 A 28 28 ARG C C 28 173.450 175.082 -1.632 1
1 224 . 2 1 1 A 28 28 ARG HA H 28 4.691 4.805 -0.114 1
1 227 . 2 1 1 A 29 29 ASP H H 29 8.323 8.901 -0.578 1
1 228 . 2 1 1 A 29 29 ASP N N 29 121.000 123.800 -2.800 1
1 229 . 2 1 1 A 29 29 ASP CA C 29 50.779 53.040 -2.261 1
1 230 . 2 1 1 A 29 29 ASP C C 29 172.275 175.025 -2.750 1
1 231 . 2 1 1 A 29 29 ASP HA H 29 4.661 5.129 -0.468 1
1 234 . 2 1 1 A 30 30 ARG H H 30 8.342 8.873 -0.531 1
1 235 . 2 1 1 A 30 30 ARG N N 30 126.100 122.440 3.660 1
1 236 . 2 1 1 A 30 30 ARG CA C 30 54.924 55.589 -0.665 1
1 237 . 2 1 1 A 30 30 ARG CB C 30 28.367 29.769 -1.402 1
1 238 . 2 1 1 A 30 30 ARG C C 30 173.454 175.417 -1.963 1
1 239 . 2 1 1 A 30 30 ARG HA H 30 3.592 4.295 -0.703 1
1 243 . 2 1 1 A 31 31 SER H H 31 8.379 7.836 0.543 1
1 244 . 2 1 1 A 31 31 SER N N 31 113.600 113.384 0.216 1
1 245 . 2 1 1 A 31 31 SER CA C 31 55.918 59.109 -3.191 1
1 246 . 2 1 1 A 31 31 SER CB C 31 61.807 61.562 0.245 1
1 247 . 2 1 1 A 31 31 SER C C 31 171.758 173.427 -1.669 1
1 248 . 2 1 1 A 31 31 SER HA H 31 4.397 3.973 0.424 1
1 251 . 2 1 1 A 32 32 ASP H H 32 7.105 7.832 -0.727 1
1 252 . 2 1 1 A 32 32 ASP N N 32 125.000 118.632 6.368 1
1 253 . 2 1 1 A 32 32 ASP CA C 32 53.116 52.354 0.762 1
1 254 . 2 1 1 A 32 32 ASP CB C 32 41.585 41.447 0.138 1
1 255 . 2 1 1 A 32 32 ASP C C 32 174.497 177.277 -2.780 1
1 256 . 2 1 1 A 32 32 ASP HA H 32 4.276 4.847 -0.571 1
1 259 . 2 1 1 A 33 33 GLN H H 33 8.775 8.490 0.285 1
1 260 . 2 1 1 A 33 33 GLN N N 33 124.700 117.057 7.643 1
1 261 . 2 1 1 A 33 33 GLN CA C 33 55.127 57.011 -1.884 1
1 262 . 2 1 1 A 33 33 GLN CB C 33 26.601 28.177 -1.576 1
1 263 . 2 1 1 A 33 33 GLN C C 33 174.900 176.366 -1.466 1
1 264 . 2 1 1 A 33 33 GLN HA H 33 4.061 5.130 -1.069 1
1 271 . 2 1 1 A 34 34 HIS H H 34 9.681 7.568 2.113 1
1 272 . 2 1 1 A 34 34 HIS N N 34 116.700 116.706 -0.006 1
1 273 . 2 1 1 A 34 34 HIS CA C 34 55.739 56.325 -0.586 1
1 274 . 2 1 1 A 34 34 HIS CB C 34 26.065 31.673 -5.608 1
1 275 . 2 1 1 A 34 34 HIS C C 34 172.307 176.264 -3.957 1
1 276 . 2 1 1 A 34 34 HIS HA H 34 4.885 4.765 0.120 1
1 279 . 2 1 1 A 35 35 ILE H H 35 6.711 7.911 -1.200 1
1 280 . 2 1 1 A 35 35 ILE N N 35 108.600 118.318 -9.718 1
1 281 . 2 1 1 A 35 35 ILE CA C 35 58.395 61.549 -3.154 1
1 282 . 2 1 1 A 35 35 ILE CB C 35 35.989 37.727 -1.738 1
1 283 . 2 1 1 A 35 35 ILE C C 35 172.249 176.132 -3.883 1
1 284 . 2 1 1 A 35 35 ILE HA H 35 5.114 4.239 0.875 1
1 293 . 2 1 1 A 36 36 GLN H H 36 7.148 7.928 -0.780 1
1 294 . 2 1 1 A 36 36 GLN N N 36 120.018 119.819 0.199 1
1 295 . 2 1 1 A 36 36 GLN CA C 36 55.111 55.135 -0.024 1
1 296 . 2 1 1 A 36 36 GLN CB C 36 25.190 29.529 -4.339 1
1 297 . 2 1 1 A 36 36 GLN C C 36 172.952 175.281 -2.329 1
1 298 . 2 1 1 A 36 36 GLN HA H 36 4.261 4.701 -0.440 1
1 305 . 2 1 1 A 37 37 LEU H H 37 9.110 8.718 0.392 1
1 306 . 2 1 1 A 37 37 LEU N N 37 127.600 123.108 4.492 1
1 307 . 2 1 1 A 37 37 LEU CA C 37 51.329 53.048 -1.719 1
1 308 . 2 1 1 A 37 37 LEU CB C 37 42.165 44.610 -2.445 1
1 309 . 2 1 1 A 37 37 LEU C C 37 172.877 174.931 -2.054 1
1 310 . 2 1 1 A 37 37 LEU HA H 37 5.315 5.169 0.146 1
1 319 . 2 1 1 A 38 38 GLN H H 38 9.556 9.511 0.045 1
1 320 . 2 1 1 A 38 38 GLN N N 38 120.583 121.681 -1.098 1
1 321 . 2 1 1 A 38 38 GLN CA C 38 51.810 55.074 -3.264 1
1 322 . 2 1 1 A 38 38 GLN CB C 38 29.259 29.632 -0.373 1
1 323 . 2 1 1 A 38 38 GLN C C 38 172.676 174.521 -1.845 1
1 324 . 2 1 1 A 38 38 GLN HA H 38 4.623 4.630 -0.007 1
1 328 . 2 1 1 A 39 39 LEU H H 39 8.926 9.054 -0.128 1
1 329 . 2 1 1 A 39 39 LEU N N 39 131.700 129.715 1.985 1
1 330 . 2 1 1 A 39 39 LEU CA C 39 53.062 53.712 -0.650 1
1 331 . 2 1 1 A 39 39 LEU C C 39 174.601 174.909 -0.308 1
1 332 . 2 1 1 A 39 39 LEU HA H 39 5.506 5.257 0.249 1
1 341 . 2 1 1 A 40 40 SER H H 40 8.569 8.752 -0.183 1
1 342 . 2 1 1 A 40 40 SER N N 40 115.900 123.785 -7.885 1
1 343 . 2 1 1 A 40 40 SER CA C 40 54.925 57.507 -2.582 1
1 344 . 2 1 1 A 40 40 SER CB C 40 46.694 66.292 -19.598 1
1 345 . 2 1 1 A 40 40 SER C C 40 170.046 172.931 -2.885 1
1 346 . 2 1 1 A 40 40 SER HA H 40 4.676 5.276 -0.600 1
1 349 . 2 1 1 A 41 41 ALA H H 41 8.357 8.549 -0.192 1
1 350 . 2 1 1 A 41 41 ALA N N 41 125.900 124.551 1.349 1
1 351 . 2 1 1 A 41 41 ALA CA C 41 49.309 50.671 -1.362 1
1 352 . 2 1 1 A 41 41 ALA CB C 41 27.376 19.975 7.401 1
1 353 . 2 1 1 A 41 41 ALA C C 41 175.352 177.222 -1.870 1
1 354 . 2 1 1 A 41 41 ALA HA H 41 5.016 4.988 0.028 1
1 358 . 2 1 1 A 42 42 GLU H H 42 8.485 8.911 -0.426 1
1 359 . 2 1 1 A 42 42 GLU N N 42 125.400 126.599 -1.199 1
1 360 . 2 1 1 A 42 42 GLU CA C 42 54.611 57.548 -2.937 1
1 361 . 2 1 1 A 42 42 GLU CB C 42 28.181 31.513 -3.332 1
1 362 . 2 1 1 A 42 42 GLU C C 42 174.014 175.744 -1.730 1
1 363 . 2 1 1 A 42 42 GLU HA H 42 4.444 4.439 0.005 1
1 368 . 2 1 1 A 43 43 SER H H 43 8.020 7.999 0.021 1
1 369 . 2 1 1 A 43 43 SER N N 43 113.900 115.037 -1.137 1
1 370 . 2 1 1 A 43 43 SER CA C 43 55.014 57.373 -2.359 1
1 371 . 2 1 1 A 43 43 SER CB C 43 61.687 65.889 -4.202 1
1 372 . 2 1 1 A 43 43 SER C C 43 171.119 174.411 -3.292 1
1 373 . 2 1 1 A 43 43 SER HA H 43 4.516 4.770 -0.254 1
1 376 . 2 1 1 A 44 44 VAL H H 44 8.113 8.223 -0.110 1
1 377 . 2 1 1 A 44 44 VAL N N 44 121.100 123.471 -2.371 1
1 378 . 2 1 1 A 44 44 VAL CA C 44 62.838 65.448 -2.610 1
1 379 . 2 1 1 A 44 44 VAL CB C 44 28.991 31.299 -2.308 1
1 380 . 2 1 1 A 44 44 VAL C C 44 175.533 177.169 -1.636 1
1 381 . 2 1 1 A 44 44 VAL HA H 44 3.868 3.500 0.368 1
1 389 . 2 1 1 A 45 45 GLY H H 45 8.807 8.828 -0.021 1
1 390 . 2 1 1 A 45 45 GLY N N 45 115.545 114.966 0.579 1
1 391 . 2 1 1 A 45 45 GLY CA C 45 43.553 45.022 -1.469 1
1 392 . 2 1 1 A 45 45 GLY C C 45 170.948 173.974 -3.026 1
1 393 . 2 1 1 A 45 45 GLY HA3 H 45 4.296 4.036 0.260 1
1 394 . 2 1 1 A 45 45 GLY HA2 H 45 3.995 4.031 -0.036 1
1 395 . 2 1 1 A 46 46 GLU H H 46 7.985 7.897 0.088 1
1 396 . 2 1 1 A 46 46 GLU N N 46 121.200 120.135 1.065 1
1 397 . 2 1 1 A 46 46 GLU CA C 46 52.751 55.369 -2.618 1
1 398 . 2 1 1 A 46 46 GLU CB C 46 29.432 31.327 -1.895 1
1 399 . 2 1 1 A 46 46 GLU C C 46 173.583 175.424 -1.841 1
1 400 . 2 1 1 A 46 46 GLU HA H 46 5.442 4.688 0.754 1
1 405 . 2 1 1 A 47 47 VAL H H 47 9.560 9.108 0.452 1
1 406 . 2 1 1 A 47 47 VAL N N 47 116.400 118.428 -2.028 1
1 407 . 2 1 1 A 47 47 VAL CA C 47 56.846 60.084 -3.238 1
1 408 . 2 1 1 A 47 47 VAL CB C 47 33.714 34.416 -0.702 1
1 409 . 2 1 1 A 47 47 VAL C C 47 172.960 173.722 -0.762 1
1 410 . 2 1 1 A 47 47 VAL HA H 47 5.505 5.252 0.253 1
1 418 . 2 1 1 A 48 48 TYR H H 48 8.415 9.311 -0.896 1
1 419 . 2 1 1 A 48 48 TYR N N 48 117.400 126.145 -8.745 1
1 420 . 2 1 1 A 48 48 TYR CA C 48 54.331 55.743 -1.412 1
1 421 . 2 1 1 A 48 48 TYR CB C 48 39.296 41.675 -2.379 1
1 422 . 2 1 1 A 48 48 TYR C C 48 173.423 173.827 -0.404 1
1 423 . 2 1 1 A 48 48 TYR HA H 48 5.290 5.340 -0.050 1
1 426 . 2 1 1 A 49 49 ILE H H 49 10.532 8.249 2.283 1
1 427 . 2 1 1 A 49 49 ILE N N 49 123.100 128.356 -5.256 1
1 428 . 2 1 1 A 49 49 ILE CA C 49 59.573 60.268 -0.695 1
1 429 . 2 1 1 A 49 49 ILE CB C 49 40.504 37.821 2.683 1
1 430 . 2 1 1 A 49 49 ILE C C 49 170.853 175.122 -4.269 1
1 431 . 2 1 1 A 49 49 ILE HA H 49 4.341 4.740 -0.399 1
1 438 . 2 1 1 A 50 50 LYS H H 50 8.511 8.956 -0.445 1
1 439 . 2 1 1 A 50 50 LYS N N 50 125.800 124.703 1.097 1
1 440 . 2 1 1 A 50 50 LYS CA C 50 51.179 54.544 -3.365 1
1 441 . 2 1 1 A 50 50 LYS CB C 50 34.816 36.257 -1.441 1
1 442 . 2 1 1 A 50 50 LYS C C 50 173.759 175.220 -1.461 1
1 443 . 2 1 1 A 50 50 LYS HA H 50 4.991 5.157 -0.166 1
1 451 . 2 1 1 A 51 51 SER H H 51 8.920 9.090 -0.170 1
1 452 . 2 1 1 A 51 51 SER N N 51 117.579 119.258 -1.679 1
1 453 . 2 1 1 A 51 51 SER CA C 51 55.043 59.276 -4.233 1
1 454 . 2 1 1 A 51 51 SER CB C 51 61.065 63.557 -2.492 1
1 455 . 2 1 1 A 51 51 SER C C 51 175.084 174.292 0.792 1
1 456 . 2 1 1 A 51 51 SER HA H 51 4.666 4.607 0.059 1
1 459 . 2 1 1 A 52 52 THR H H 52 8.342 8.219 0.123 1
1 460 . 2 1 1 A 52 52 THR N N 52 123.200 119.381 3.819 1
1 461 . 2 1 1 A 52 52 THR CA C 52 62.792 64.693 -1.901 1
1 462 . 2 1 1 A 52 52 THR CB C 52 65.611 68.976 -3.365 1
1 463 . 2 1 1 A 52 52 THR C C 52 173.566 176.550 -2.984 1
1 464 . 2 1 1 A 52 52 THR HA H 52 3.996 3.967 0.029 1
1 469 . 2 1 1 A 53 53 GLU H H 53 8.312 7.969 0.343 1
1 470 . 2 1 1 A 53 53 GLU N N 53 122.000 120.721 1.279 1
1 471 . 2 1 1 A 53 53 GLU CA C 53 55.889 58.155 -2.266 1
1 472 . 2 1 1 A 53 53 GLU CB C 53 28.359 30.453 -2.094 1
1 473 . 2 1 1 A 53 53 GLU C C 53 175.327 177.959 -2.632 1
1 474 . 2 1 1 A 53 53 GLU HA H 53 4.311 4.223 0.088 1
1 477 . 2 1 1 A 54 54 THR H H 54 7.724 7.962 -0.238 1
1 478 . 2 1 1 A 54 54 THR N N 54 103.100 110.813 -7.713 1
1 479 . 2 1 1 A 54 54 THR CA C 54 58.555 61.491 -2.936 1
1 480 . 2 1 1 A 54 54 THR CB C 54 69.030 68.940 0.090 1
1 481 . 2 1 1 A 54 54 THR C C 54 173.942 175.525 -1.583 1
1 482 . 2 1 1 A 54 54 THR HA H 54 4.681 4.549 0.132 1
1 487 . 2 1 1 A 55 55 GLY H H 55 7.643 8.138 -0.495 1
1 488 . 2 1 1 A 55 55 GLY N N 55 110.700 110.580 0.120 1
1 489 . 2 1 1 A 55 55 GLY CA C 55 43.594 45.772 -2.178 1
1 490 . 2 1 1 A 55 55 GLY HA3 H 55 4.150 3.990 0.160 1
1 491 . 2 1 1 A 55 55 GLY HA2 H 55 3.591 3.984 -0.393 1
1 492 . 2 1 1 A 55 55 GLY C C 55 170.694 174.273 -3.579 1
1 493 . 2 1 1 A 56 56 GLN H H 56 7.211 7.940 -0.729 1
1 494 . 2 1 1 A 56 56 GLN N N 56 115.700 115.789 -0.089 1
1 495 . 2 1 1 A 56 56 GLN CA C 56 53.898 55.912 -2.014 1
1 496 . 2 1 1 A 56 56 GLN CB C 56 30.456 32.349 -1.893 1
1 497 . 2 1 1 A 56 56 GLN C C 56 172.141 172.973 -0.832 1
1 498 . 2 1 1 A 56 56 GLN HA H 56 4.311 4.625 -0.314 1
1 504 . 2 1 1 A 57 57 TYR H H 57 9.254 8.953 0.301 1
1 505 . 2 1 1 A 57 57 TYR N N 57 119.400 125.690 -6.290 1
1 506 . 2 1 1 A 57 57 TYR CA C 57 53.356 55.995 -2.639 1
1 507 . 2 1 1 A 57 57 TYR CB C 57 40.466 37.668 2.798 1
1 508 . 2 1 1 A 57 57 TYR C C 57 173.320 174.244 -0.924 1
1 509 . 2 1 1 A 57 57 TYR HA H 57 4.128 6.431 -2.303 1
1 512 . 2 1 1 A 58 58 LEU H H 58 9.126 8.585 0.541 1
1 513 . 2 1 1 A 58 58 LEU N N 58 123.600 128.047 -4.447 1
1 514 . 2 1 1 A 58 58 LEU CA C 58 53.256 55.833 -2.577 1
1 515 . 2 1 1 A 58 58 LEU CB C 58 40.466 42.323 -1.857 1
1 516 . 2 1 1 A 58 58 LEU C C 58 172.320 174.924 -2.604 1
1 517 . 2 1 1 A 58 58 LEU HA H 58 4.128 4.251 -0.123 1
1 524 . 2 1 1 A 59 59 ALA H H 59 8.656 8.036 0.620 1
1 525 . 2 1 1 A 59 59 ALA N N 59 126.947 127.412 -0.465 1
1 526 . 2 1 1 A 59 59 ALA CA C 59 48.450 50.208 -1.758 1
1 527 . 2 1 1 A 59 59 ALA CB C 59 21.261 21.866 -0.605 1
1 528 . 2 1 1 A 59 59 ALA C C 59 172.722 175.655 -2.933 1
1 529 . 2 1 1 A 59 59 ALA HA H 59 5.124 4.835 0.289 1
1 533 . 2 1 1 A 60 60 MET H H 60 7.521 8.672 -1.151 1
1 534 . 2 1 1 A 60 60 MET N N 60 116.602 122.139 -5.537 1
1 535 . 2 1 1 A 60 60 MET CA C 60 52.251 54.848 -2.597 1
1 536 . 2 1 1 A 60 60 MET CB C 60 35.046 33.724 1.322 1
1 537 . 2 1 1 A 60 60 MET C C 60 173.753 175.121 -1.368 1
1 538 . 2 1 1 A 60 60 MET HA H 60 5.527 4.775 0.752 1
1 543 . 2 1 1 A 61 61 ASP H H 61 9.159 9.271 -0.112 1
1 544 . 2 1 1 A 61 61 ASP N N 61 128.445 123.608 4.837 1
1 545 . 2 1 1 A 61 61 ASP CA C 61 51.480 52.485 -1.005 1
1 546 . 2 1 1 A 61 61 ASP CB C 61 39.346 40.784 -1.438 1
1 547 . 2 1 1 A 61 61 ASP C C 61 175.800 175.908 -0.108 1
1 548 . 2 1 1 A 61 61 ASP HA H 61 5.046 5.075 -0.029 1
1 551 . 2 1 1 A 62 62 THR H H 62 7.972 8.322 -0.350 1
1 552 . 2 1 1 A 62 62 THR N N 62 107.806 115.779 -7.973 1
1 553 . 2 1 1 A 62 62 THR CA C 62 62.626 66.059 -3.433 1
1 554 . 2 1 1 A 62 62 THR CB C 62 66.955 66.845 0.110 1
1 555 . 2 1 1 A 62 62 THR C C 62 172.355 173.370 -1.015 1
1 556 . 2 1 1 A 62 62 THR HA H 62 4.134 3.866 0.268 1
1 561 . 2 1 1 A 63 63 ASP H H 63 8.333 8.505 -0.172 1
1 562 . 2 1 1 A 63 63 ASP N N 63 119.831 119.299 0.532 1
1 563 . 2 1 1 A 63 63 ASP CA C 63 51.865 53.640 -1.775 1
1 564 . 2 1 1 A 63 63 ASP CB C 63 39.182 43.065 -3.883 1
1 565 . 2 1 1 A 63 63 ASP C C 63 174.438 177.834 -3.396 1
1 566 . 2 1 1 A 63 63 ASP HA H 63 4.964 4.901 0.063 1
1 569 . 2 1 1 A 64 64 GLY H H 64 8.264 8.214 0.050 1
1 570 . 2 1 1 A 64 64 GLY N N 64 109.142 108.229 0.913 1
1 571 . 2 1 1 A 64 64 GLY CA C 64 42.923 45.627 -2.704 1
1 572 . 2 1 1 A 64 64 GLY C C 64 171.248 173.863 -2.615 1
1 573 . 2 1 1 A 64 64 GLY HA3 H 64 3.652 4.106 -0.454 1
1 574 . 2 1 1 A 64 64 GLY HA2 H 64 3.397 4.055 -0.658 1
1 575 . 2 1 1 A 65 65 LEU H H 65 8.636 7.671 0.965 1
1 576 . 2 1 1 A 65 65 LEU N N 65 123.137 120.212 2.925 1
1 577 . 2 1 1 A 65 65 LEU CA C 65 52.224 53.276 -1.052 1
1 578 . 2 1 1 A 65 65 LEU CB C 65 40.557 47.014 -6.457 1
1 579 . 2 1 1 A 65 65 LEU C C 65 174.507 175.554 -1.047 1
1 580 . 2 1 1 A 65 65 LEU HA H 65 4.529 5.021 -0.492 1
1 590 . 2 1 1 A 66 66 LEU H H 66 7.431 8.763 -1.332 1
1 591 . 2 1 1 A 66 66 LEU N N 66 124.493 117.608 6.885 1
1 592 . 2 1 1 A 66 66 LEU CA C 66 51.635 53.483 -1.848 1
1 593 . 2 1 1 A 66 66 LEU CB C 66 40.474 44.566 -4.092 1
1 594 . 2 1 1 A 66 66 LEU C C 66 174.070 175.554 -1.484 1
1 595 . 2 1 1 A 66 66 LEU HA H 66 5.714 5.418 0.296 1
1 605 . 2 1 1 A 67 67 TYR H H 67 9.237 8.778 0.459 1
1 606 . 2 1 1 A 67 67 TYR N N 67 120.360 118.219 2.141 1
1 607 . 2 1 1 A 67 67 TYR CA C 67 54.076 55.100 -1.024 1
1 608 . 2 1 1 A 67 67 TYR CB C 67 38.903 42.321 -3.418 1
1 609 . 2 1 1 A 67 67 TYR C C 67 169.640 173.874 -4.234 1
1 610 . 2 1 1 A 67 67 TYR HA H 67 5.023 5.824 -0.801 1
1 612 . 2 1 1 A 68 68 GLY H H 68 8.928 8.419 0.509 1
1 613 . 2 1 1 A 68 68 GLY N N 68 105.646 106.572 -0.926 1
1 614 . 2 1 1 A 68 68 GLY CA C 68 41.569 45.721 -4.152 1
1 615 . 2 1 1 A 68 68 GLY C C 68 170.551 173.368 -2.817 1
1 616 . 2 1 1 A 68 68 GLY HA2 H 68 4.676 4.130 0.546 1
1 617 . 2 1 1 A 69 69 SER H H 69 9.608 9.101 0.507 1
1 618 . 2 1 1 A 69 69 SER N N 69 120.100 115.349 4.751 1
1 619 . 2 1 1 A 69 69 SER CA C 69 53.737 59.452 -5.715 1
1 620 . 2 1 1 A 69 69 SER CB C 69 63.042 65.605 -2.563 1
1 621 . 2 1 1 A 69 69 SER C C 69 174.219 175.235 -1.016 1
1 622 . 2 1 1 A 69 69 SER HA H 69 4.966 5.094 -0.128 1
1 625 . 2 1 1 A 70 70 GLN H H 70 9.343 8.562 0.781 1
1 626 . 2 1 1 A 70 70 GLN N N 70 127.339 119.057 8.282 1
1 627 . 2 1 1 A 70 70 GLN CA C 70 56.139 57.666 -1.527 1
1 628 . 2 1 1 A 70 70 GLN CB C 70 27.092 30.251 -3.159 1
1 629 . 2 1 1 A 70 70 GLN C C 70 173.241 176.251 -3.010 1
1 630 . 2 1 1 A 70 70 GLN HA H 70 4.286 4.388 -0.102 1
1 638 . 2 1 1 A 71 71 THR H H 71 7.532 8.154 -0.622 1
1 639 . 2 1 1 A 71 71 THR N N 71 108.100 111.116 -3.016 1
1 640 . 2 1 1 A 71 71 THR CA C 71 55.203 59.019 -3.816 1
1 641 . 2 1 1 A 71 71 THR HA H 71 4.780 4.989 -0.209 1
1 643 . 2 1 1 A 72 72 PRO CA C 72 60.050 62.224 -2.174 1
1 644 . 2 1 1 A 72 72 PRO CB C 72 26.678 31.234 -4.556 1
1 645 . 2 1 1 A 72 72 PRO C C 72 172.920 175.935 -3.015 1
1 646 . 2 1 1 A 72 72 PRO HA H 72 4.173 5.058 -0.885 1
1 649 . 2 1 1 A 73 73 ASN H H 73 7.321 8.847 -1.526 1
1 650 . 2 1 1 A 73 73 ASN N N 73 119.200 120.859 -1.659 1
1 651 . 2 1 1 A 73 73 ASN CA C 73 49.994 51.974 -1.980 1
1 652 . 2 1 1 A 74 74 GLU H H 74 9.030 8.511 0.519 1
1 653 . 2 1 1 A 74 74 GLU CA C 74 57.131 55.390 1.741 1
1 654 . 2 1 1 A 74 74 GLU CB C 74 27.005 30.586 -3.581 1
1 655 . 2 1 1 A 74 74 GLU C C 74 176.352 176.210 0.142 1
1 656 . 2 1 1 A 74 74 GLU HA H 74 4.130 4.577 -0.447 1
1 661 . 2 1 1 A 75 75 GLU H H 75 8.574 8.668 -0.094 1
1 662 . 2 1 1 A 75 75 GLU N N 75 119.200 122.763 -3.563 1
1 663 . 2 1 1 A 75 75 GLU CA C 75 56.343 56.777 -0.434 1
1 664 . 2 1 1 A 75 75 GLU CB C 75 26.028 32.078 -6.050 1
1 665 . 2 1 1 A 75 75 GLU C C 75 173.866 177.084 -3.218 1
1 666 . 2 1 1 A 75 75 GLU HA H 75 4.206 4.472 -0.266 1
1 671 . 2 1 1 A 76 76 CYS H H 76 7.727 7.753 -0.026 1
1 672 . 2 1 1 A 76 76 CYS N N 76 113.800 116.649 -2.849 1
1 673 . 2 1 1 A 76 76 CYS CA C 76 55.635 59.546 -3.911 1
1 674 . 2 1 1 A 76 76 CYS CB C 76 26.036 27.199 -1.163 1
1 675 . 2 1 1 A 76 76 CYS C C 76 170.849 174.220 -3.371 1
1 676 . 2 1 1 A 76 76 CYS HA H 76 5.426 3.825 1.601 1
1 679 . 2 1 1 A 77 77 LEU H H 77 6.241 6.950 -0.709 1
1 680 . 2 1 1 A 77 77 LEU N N 77 118.069 123.134 -5.065 1
1 681 . 2 1 1 A 77 77 LEU CA C 77 51.793 54.788 -2.995 1
1 682 . 2 1 1 A 77 77 LEU CB C 77 42.123 41.528 0.595 1
1 683 . 2 1 1 A 77 77 LEU C C 77 173.882 175.986 -2.104 1
1 684 . 2 1 1 A 77 77 LEU HA H 77 4.555 3.789 0.766 1
1 694 . 2 1 1 A 78 78 PHE H H 78 9.067 8.519 0.548 1
1 695 . 2 1 1 A 78 78 PHE N N 78 122.377 122.524 -0.147 1
1 696 . 2 1 1 A 78 78 PHE CA C 78 54.917 56.367 -1.450 1
1 697 . 2 1 1 A 78 78 PHE CB C 78 40.597 43.747 -3.150 1
1 698 . 2 1 1 A 78 78 PHE C C 78 171.853 174.601 -2.748 1
1 699 . 2 1 1 A 78 78 PHE HA H 78 5.169 5.150 0.019 1
1 702 . 2 1 1 A 79 79 LEU H H 79 9.958 9.187 0.771 1
1 703 . 2 1 1 A 79 79 LEU N N 79 122.126 123.062 -0.936 1
1 704 . 2 1 1 A 79 79 LEU CA C 79 51.232 54.313 -3.081 1
1 705 . 2 1 1 A 79 79 LEU CB C 79 38.511 44.575 -6.064 1
1 706 . 2 1 1 A 79 79 LEU C C 79 173.055 175.456 -2.401 1
1 707 . 2 1 1 A 79 79 LEU HA H 79 4.686 5.031 -0.345 1
1 713 . 2 1 1 A 80 80 GLU H H 80 8.347 9.014 -0.667 1
1 714 . 2 1 1 A 80 80 GLU N N 80 126.300 127.838 -1.538 1
1 715 . 2 1 1 A 80 80 GLU CA C 80 52.558 55.436 -2.878 1
1 716 . 2 1 1 A 80 80 GLU CB C 80 30.892 31.511 -0.619 1
1 717 . 2 1 1 A 80 80 GLU C C 80 173.355 175.086 -1.731 1
1 718 . 2 1 1 A 80 80 GLU HA H 80 4.832 4.993 -0.161 1
1 721 . 2 1 1 A 81 81 ARG H H 81 8.840 8.829 0.011 1
1 722 . 2 1 1 A 81 81 ARG N N 81 129.522 128.388 1.134 1
1 723 . 2 1 1 A 81 81 ARG CA C 81 52.288 54.482 -2.194 1
1 724 . 2 1 1 A 81 81 ARG CB C 81 38.588 33.369 5.219 1
1 725 . 2 1 1 A 81 81 ARG C C 81 172.258 174.866 -2.608 1
1 726 . 2 1 1 A 81 81 ARG HA H 81 4.659 4.868 -0.209 1
1 732 . 2 1 1 A 82 82 LEU H H 82 8.347 9.114 -0.767 1
1 733 . 2 1 1 A 82 82 LEU N N 82 125.700 128.012 -2.312 1
1 734 . 2 1 1 A 82 82 LEU CA C 82 52.631 54.164 -1.533 1
1 735 . 2 1 1 A 82 82 LEU CB C 82 40.304 42.315 -2.011 1
1 736 . 2 1 1 A 82 82 LEU C C 82 174.567 175.368 -0.801 1
1 737 . 2 1 1 A 82 82 LEU HA H 82 4.875 4.911 -0.036 1
1 744 . 2 1 1 A 83 83 GLU H H 83 9.064 8.574 0.490 1
1 745 . 2 1 1 A 83 83 GLU N N 83 125.600 125.867 -0.267 1
1 746 . 2 1 1 A 83 83 GLU CA C 83 51.723 56.073 -4.350 1
1 747 . 2 1 1 A 83 83 GLU CB C 83 43.703 30.996 12.707 1
1 748 . 2 1 1 A 83 83 GLU C C 83 174.885 176.032 -1.147 1
1 749 . 2 1 1 A 83 83 GLU HA H 83 4.974 4.763 0.211 1
1 752 . 2 1 1 A 84 84 GLU H H 84 8.806 8.865 -0.059 1
1 753 . 2 1 1 A 84 84 GLU N N 84 120.300 126.028 -5.728 1
1 754 . 2 1 1 A 84 84 GLU CA C 84 55.553 56.212 -0.659 1
1 755 . 2 1 1 A 84 84 GLU CB C 84 27.117 30.010 -2.893 1
1 756 . 2 1 1 A 84 84 GLU C C 84 174.261 176.132 -1.871 1
1 757 . 2 1 1 A 84 84 GLU HA H 84 4.112 4.471 -0.359 1
1 761 . 2 1 1 A 85 85 ASN H H 85 8.429 8.977 -0.548 1
1 762 . 2 1 1 A 85 85 ASN N N 85 114.800 117.478 -2.678 1
1 763 . 2 1 1 A 85 85 ASN CA C 85 51.788 54.539 -2.751 1
1 764 . 2 1 1 A 85 85 ASN CB C 85 35.301 36.869 -1.568 1
1 765 . 2 1 1 A 85 85 ASN C C 85 172.203 174.710 -2.507 1
1 766 . 2 1 1 A 85 85 ASN HA H 85 4.343 4.262 0.081 1
1 769 . 2 1 1 A 86 86 HIS H H 86 8.081 7.590 0.491 1
1 770 . 2 1 1 A 86 86 HIS N N 86 108.737 115.460 -6.723 1
1 771 . 2 1 1 A 86 86 HIS CA C 86 55.255 57.325 -2.070 1
1 772 . 2 1 1 A 86 86 HIS CB C 86 24.858 31.669 -6.811 1
1 773 . 2 1 1 A 86 86 HIS C C 86 171.039 174.368 -3.329 1
1 774 . 2 1 1 A 86 86 HIS HA H 86 4.260 4.507 -0.247 1
1 777 . 2 1 1 A 87 87 TYR H H 87 7.592 7.452 0.140 1
1 778 . 2 1 1 A 87 87 TYR N N 87 117.738 115.432 2.306 1
1 779 . 2 1 1 A 87 87 TYR CA C 87 56.163 56.574 -0.411 1
1 780 . 2 1 1 A 87 87 TYR CB C 87 38.643 42.708 -4.065 1
1 781 . 2 1 1 A 87 87 TYR C C 87 171.983 174.575 -2.592 1
1 782 . 2 1 1 A 87 87 TYR HA H 87 4.836 5.021 -0.185 1
1 784 . 2 1 1 A 88 88 ASN H H 88 9.840 9.122 0.718 1
1 785 . 2 1 1 A 88 88 ASN N N 88 118.891 120.202 -1.311 1
1 786 . 2 1 1 A 88 88 ASN CA C 88 50.063 52.610 -2.547 1
1 787 . 2 1 1 A 88 88 ASN CB C 88 40.242 40.710 -0.468 1
1 788 . 2 1 1 A 88 88 ASN C C 88 172.471 174.574 -2.103 1
1 789 . 2 1 1 A 88 88 ASN HA H 88 5.837 5.429 0.408 1
1 795 . 2 1 1 A 89 89 THR H H 89 8.380 8.741 -0.361 1
1 796 . 2 1 1 A 89 89 THR N N 89 108.521 116.241 -7.720 1
1 797 . 2 1 1 A 89 89 THR CA C 89 57.357 60.197 -2.840 1
1 798 . 2 1 1 A 89 89 THR CB C 89 70.868 72.696 -1.828 1
1 799 . 2 1 1 A 89 89 THR C C 89 170.548 172.466 -1.918 1
1 800 . 2 1 1 A 89 89 THR HA H 89 5.127 5.314 -0.187 1
1 805 . 2 1 1 A 90 90 TYR H H 90 10.247 9.017 1.230 1
1 806 . 2 1 1 A 90 90 TYR N N 90 119.000 121.652 -2.652 1
1 807 . 2 1 1 A 90 90 TYR CA C 90 55.106 56.413 -1.307 1
1 808 . 2 1 1 A 90 90 TYR CB C 90 39.047 42.269 -3.222 1
1 809 . 2 1 1 A 90 90 TYR C C 90 172.442 174.224 -1.782 1
1 810 . 2 1 1 A 90 90 TYR HA H 90 5.472 5.289 0.183 1
1 812 . 2 1 1 A 91 91 ILE H H 91 8.781 9.532 -0.751 1
1 813 . 2 1 1 A 91 91 ILE N N 91 122.546 124.398 -1.852 1
1 814 . 2 1 1 A 91 91 ILE CA C 91 56.346 58.934 -2.588 1
1 815 . 2 1 1 A 91 91 ILE CB C 91 36.627 41.297 -4.670 1
1 816 . 2 1 1 A 91 91 ILE C C 91 172.924 174.321 -1.397 1
1 817 . 2 1 1 A 91 91 ILE HA H 91 4.673 5.045 -0.372 1
1 826 . 2 1 1 A 92 92 SER H H 92 8.191 8.348 -0.157 1
1 827 . 2 1 1 A 92 92 SER N N 92 120.200 123.257 -3.057 1
1 828 . 2 1 1 A 92 92 SER CA C 92 55.781 57.083 -1.302 1
1 829 . 2 1 1 A 92 92 SER CB C 92 62.382 62.772 -0.390 1
1 830 . 2 1 1 A 92 92 SER C C 92 172.863 175.597 -2.734 1
1 831 . 2 1 1 A 92 92 SER HA H 92 4.016 4.858 -0.842 1
1 833 . 2 1 1 A 93 93 LYS H H 93 7.993 8.770 -0.777 1
1 834 . 2 1 1 A 93 93 LYS N N 93 130.618 125.435 5.183 1
1 835 . 2 1 1 A 93 93 LYS CA C 93 57.942 58.334 -0.392 1
1 836 . 2 1 1 A 93 93 LYS CB C 93 30.889 32.006 -1.117 1
1 837 . 2 1 1 A 93 93 LYS C C 93 176.938 178.810 -1.872 1
1 838 . 2 1 1 A 93 93 LYS HA H 93 3.779 4.223 -0.444 1
1 844 . 2 1 1 A 94 94 LYS H H 94 8.616 7.923 0.693 1
1 845 . 2 1 1 A 94 94 LYS N N 94 120.044 120.807 -0.763 1
1 846 . 2 1 1 A 94 94 LYS CA C 94 55.868 59.172 -3.304 1
1 847 . 2 1 1 A 94 94 LYS CB C 94 30.329 32.825 -2.496 1
1 848 . 2 1 1 A 94 94 LYS C C 94 174.491 178.457 -3.966 1
1 849 . 2 1 1 A 94 94 LYS HA H 94 3.851 4.093 -0.242 1
1 856 . 2 1 1 A 95 95 HIS H H 95 7.249 8.595 -1.346 1
1 857 . 2 1 1 A 95 95 HIS N N 95 114.486 117.480 -2.994 1
1 858 . 2 1 1 A 95 95 HIS CA C 95 51.180 55.374 -4.194 1
1 859 . 2 1 1 A 95 95 HIS CB C 95 26.844 29.615 -2.771 1
1 860 . 2 1 1 A 95 95 HIS C C 95 173.734 175.659 -1.925 1
1 861 . 2 1 1 A 95 95 HIS HA H 95 4.604 4.710 -0.106 1
1 864 . 2 1 1 A 96 96 ALA H H 96 7.104 7.852 -0.748 1
1 865 . 2 1 1 A 96 96 ALA N N 96 125.204 124.368 0.836 1
1 866 . 2 1 1 A 96 96 ALA CA C 96 53.758 55.467 -1.709 1
1 867 . 2 1 1 A 96 96 ALA CB C 96 16.578 18.553 -1.975 1
1 868 . 2 1 1 A 96 96 ALA C C 96 178.508 179.801 -1.293 1
1 869 . 2 1 1 A 96 96 ALA HA H 96 4.131 4.154 -0.023 1
1 873 . 2 1 1 A 97 97 GLU H H 97 8.857 8.079 0.778 1
1 874 . 2 1 1 A 97 97 GLU N N 97 118.007 118.610 -0.603 1
1 875 . 2 1 1 A 97 97 GLU CA C 97 56.153 59.045 -2.892 1
1 876 . 2 1 1 A 97 97 GLU CB C 97 26.241 29.247 -3.006 1
1 877 . 2 1 1 A 97 97 GLU C C 97 174.813 177.585 -2.772 1
1 878 . 2 1 1 A 97 97 GLU HA H 97 4.063 3.990 0.073 1
1 882 . 2 1 1 A 98 98 LYS H H 98 7.116 7.645 -0.529 1
1 883 . 2 1 1 A 98 98 LYS N N 98 116.241 116.453 -0.212 1
1 884 . 2 1 1 A 98 98 LYS CA C 98 52.852 55.867 -3.015 1
1 885 . 2 1 1 A 98 98 LYS CB C 98 29.959 31.909 -1.950 1
1 886 . 2 1 1 A 98 98 LYS C C 98 173.361 175.951 -2.590 1
1 887 . 2 1 1 A 98 98 LYS HA H 98 4.280 4.167 0.113 1
1 893 . 2 1 1 A 99 99 ASN H H 99 7.842 8.022 -0.180 1
1 894 . 2 1 1 A 99 99 ASN N N 99 113.000 116.145 -3.145 1
1 895 . 2 1 1 A 99 99 ASN CA C 99 52.240 54.486 -2.246 1
1 896 . 2 1 1 A 99 99 ASN CB C 99 35.289 37.862 -2.573 1
1 897 . 2 1 1 A 99 99 ASN C C 99 170.506 174.260 -3.754 1
1 898 . 2 1 1 A 99 99 ASN HA H 99 3.772 4.206 -0.434 1
1 904 . 2 1 1 A 100 100 TRP H H 100 6.369 7.702 -1.333 1
1 905 . 2 1 1 A 100 100 TRP N N 100 116.000 120.612 -4.612 1
1 906 . 2 1 1 A 100 100 TRP CA C 100 53.179 57.537 -4.358 1
1 907 . 2 1 1 A 100 100 TRP CB C 100 28.228 30.748 -2.520 1
1 908 . 2 1 1 A 100 100 TRP C C 100 171.701 176.202 -4.501 1
1 909 . 2 1 1 A 100 100 TRP HA H 100 4.816 4.854 -0.038 1
1 912 . 2 1 1 A 101 101 PHE H H 101 8.026 9.278 -1.252 1
1 913 . 2 1 1 A 101 101 PHE N N 101 124.185 121.027 3.158 1
1 914 . 2 1 1 A 101 101 PHE CA C 101 55.472 56.875 -1.403 1
1 915 . 2 1 1 A 101 101 PHE CB C 101 39.220 41.215 -1.995 1
1 916 . 2 1 1 A 101 101 PHE C C 101 175.044 175.033 0.011 1
1 917 . 2 1 1 A 101 101 PHE HA H 101 5.373 5.154 0.219 1
1 920 . 2 1 1 A 102 102 VAL H H 102 8.499 8.469 0.030 1
1 921 . 2 1 1 A 102 102 VAL N N 102 120.282 122.462 -2.180 1
1 922 . 2 1 1 A 102 102 VAL CA C 102 60.975 60.611 0.364 1
1 923 . 2 1 1 A 102 102 VAL CB C 102 30.243 32.119 -1.876 1
1 924 . 2 1 1 A 102 102 VAL C C 102 174.220 175.039 -0.819 1
1 925 . 2 1 1 A 102 102 VAL HA H 102 3.939 4.598 -0.659 1
1 930 . 2 1 1 A 103 103 GLY H H 103 8.996 8.715 0.281 1
1 931 . 2 1 1 A 103 103 GLY N N 103 114.668 115.606 -0.938 1
1 932 . 2 1 1 A 103 103 GLY CA C 103 43.802 44.454 -0.652 1
1 933 . 2 1 1 A 103 103 GLY C C 103 169.388 172.283 -2.895 1
1 934 . 2 1 1 A 103 103 GLY HA2 H 103 5.275 4.505 0.770 1
1 935 . 2 1 1 A 103 103 GLY HA3 H 103 3.180 5.035 -1.855 1
1 936 . 2 1 1 A 104 104 LEU H H 104 8.118 8.507 -0.389 1
1 937 . 2 1 1 A 104 104 LEU N N 104 119.100 118.994 0.106 1
1 938 . 2 1 1 A 104 104 LEU CA C 104 51.207 52.660 -1.453 1
1 939 . 2 1 1 A 104 104 LEU CB C 104 43.579 46.265 -2.686 1
1 940 . 2 1 1 A 104 104 LEU C C 104 174.252 174.642 -0.390 1
1 941 . 2 1 1 A 104 104 LEU HA H 104 4.959 5.233 -0.274 1
1 950 . 2 1 1 A 105 105 LYS H H 105 8.847 8.311 0.536 1
1 951 . 2 1 1 A 105 105 LYS N N 105 118.900 122.366 -3.466 1
1 952 . 2 1 1 A 105 105 LYS CA C 105 54.035 55.258 -1.223 1
1 953 . 2 1 1 A 105 105 LYS C C 105 176.404 176.755 -0.351 1
1 954 . 2 1 1 A 105 105 LYS HA H 105 4.215 4.335 -0.120 1
1 960 . 2 1 1 A 106 106 LYS H H 106 8.980 8.240 0.740 1
1 961 . 2 1 1 A 106 106 LYS N N 106 122.172 124.415 -2.243 1
1 962 . 2 1 1 A 106 106 LYS CA C 106 57.672 58.597 -0.925 1
1 963 . 2 1 1 A 106 106 LYS CB C 106 29.780 31.895 -2.115 1
1 964 . 2 1 1 A 106 106 LYS C C 106 174.499 178.970 -4.471 1
1 965 . 2 1 1 A 106 106 LYS HA H 106 3.624 4.011 -0.387 1
1 970 . 2 1 1 A 107 107 ASN H H 107 7.352 7.741 -0.389 1
1 971 . 2 1 1 A 107 107 ASN N N 107 112.743 118.239 -5.496 1
1 972 . 2 1 1 A 107 107 ASN CA C 107 49.523 55.169 -5.646 1
1 973 . 2 1 1 A 107 107 ASN CB C 107 35.121 38.024 -2.903 1
1 974 . 2 1 1 A 107 107 ASN C C 107 174.511 176.940 -2.429 1
1 975 . 2 1 1 A 107 107 ASN HA H 107 4.678 4.525 0.153 1
1 978 . 2 1 1 A 108 108 GLY H H 108 7.656 7.978 -0.322 1
1 979 . 2 1 1 A 108 108 GLY N N 108 109.900 107.637 2.263 1
1 980 . 2 1 1 A 108 108 GLY CA C 108 42.207 46.124 -3.917 1
1 981 . 2 1 1 A 108 108 GLY C C 108 169.305 174.315 -5.010 1
1 982 . 2 1 1 A 108 108 GLY HA3 H 108 3.358 4.063 -0.705 1
1 983 . 2 1 1 A 108 108 GLY HA2 H 108 2.111 4.006 -1.895 1
1 984 . 2 1 1 A 109 109 SER H H 109 7.280 8.191 -0.911 1
1 985 . 2 1 1 A 109 109 SER N N 109 112.357 109.920 2.437 1
1 986 . 2 1 1 A 109 109 SER CA C 109 55.139 57.523 -2.384 1
1 987 . 2 1 1 A 109 109 SER CB C 109 62.749 65.454 -2.705 1
1 988 . 2 1 1 A 109 109 SER C C 109 171.244 172.528 -1.284 1
1 989 . 2 1 1 A 109 109 SER HA H 109 4.755 4.824 -0.069 1
1 992 . 2 1 1 A 110 110 CYS H H 110 9.070 8.292 0.778 1
1 993 . 2 1 1 A 110 110 CYS N N 110 119.883 120.816 -0.933 1
1 994 . 2 1 1 A 110 110 CYS CA C 110 57.858 58.880 -1.022 1
1 995 . 2 1 1 A 110 110 CYS CB C 110 37.322 28.358 8.964 1
1 996 . 2 1 1 A 110 110 CYS C C 110 172.131 173.990 -1.859 1
1 997 . 2 1 1 A 110 110 CYS HA H 110 4.296 4.697 -0.401 1
1 1000 . 2 1 1 A 111 111 LYS H H 111 8.095 8.616 -0.521 1
1 1001 . 2 1 1 A 111 111 LYS N N 111 128.642 126.702 1.940 1
1 1002 . 2 1 1 A 111 111 LYS CA C 111 52.117 54.616 -2.499 1
1 1003 . 2 1 1 A 111 111 LYS CB C 111 30.980 35.810 -4.830 1
1 1004 . 2 1 1 A 111 111 LYS C C 111 172.265 176.253 -3.988 1
1 1005 . 2 1 1 A 111 111 LYS HA H 111 4.380 4.953 -0.573 1
1 1010 . 2 1 1 A 112 112 ARG H H 112 8.566 8.546 0.020 1
1 1011 . 2 1 1 A 112 112 ARG N N 112 124.700 123.245 1.455 1
1 1012 . 2 1 1 A 112 112 ARG CA C 112 54.295 54.169 0.126 1
1 1013 . 2 1 1 A 112 112 ARG CB C 112 28.927 31.407 -2.480 1
1 1014 . 2 1 1 A 112 112 ARG C C 112 175.240 177.267 -2.027 1
1 1015 . 2 1 1 A 112 112 ARG HA H 112 4.252 4.625 -0.373 1
1 1021 . 2 1 1 A 113 113 GLY H H 113 9.408 9.599 -0.191 1
1 1022 . 2 1 1 A 113 113 GLY N N 113 106.636 108.575 -1.939 1
1 1023 . 2 1 1 A 113 113 GLY CA C 113 44.552 47.492 -2.940 1
1 1024 . 2 1 1 A 113 113 GLY C C 113 169.610 174.885 -5.275 1
1 1025 . 2 1 1 A 113 113 GLY HA2 H 113 1.510 3.274 -1.764 1
1 1026 . 2 1 1 A 114 114 PRO CA C 114 62.529 64.909 -2.380 1
1 1027 . 2 1 1 A 114 114 PRO C C 114 174.543 176.920 -2.377 1
1 1028 . 2 1 1 A 114 114 PRO HA H 114 4.321 4.104 0.217 1
1 1033 . 2 1 1 A 115 115 ARG H H 115 8.067 7.832 0.235 1
1 1034 . 2 1 1 A 115 115 ARG N N 115 114.500 116.837 -2.337 1
1 1035 . 2 1 1 A 115 115 ARG CA C 115 52.011 55.236 -3.225 1
1 1036 . 2 1 1 A 115 115 ARG CB C 115 27.143 30.971 -3.828 1
1 1037 . 2 1 1 A 115 115 ARG C C 115 174.680 175.360 -0.680 1
1 1038 . 2 1 1 A 115 115 ARG HA H 115 4.508 4.630 -0.122 1
1 1043 . 2 1 1 A 116 116 THR H H 116 7.643 7.470 0.173 1
1 1044 . 2 1 1 A 116 116 THR N N 116 111.716 111.674 0.042 1
1 1045 . 2 1 1 A 116 116 THR CA C 116 58.712 61.097 -2.385 1
1 1046 . 2 1 1 A 116 116 THR CB C 116 70.086 69.982 0.104 1
1 1047 . 2 1 1 A 116 116 THR C C 116 172.573 173.817 -1.244 1
1 1048 . 2 1 1 A 116 116 THR HA H 116 5.198 4.815 0.383 1
1 1053 . 2 1 1 A 117 117 HIS H H 117 7.091 8.120 -1.029 1
1 1054 . 2 1 1 A 117 117 HIS N N 117 112.914 119.627 -6.713 1
1 1055 . 2 1 1 A 117 117 HIS CA C 117 53.291 54.534 -1.243 1
1 1056 . 2 1 1 A 117 117 HIS CB C 117 29.133 31.341 -2.208 1
1 1057 . 2 1 1 A 117 117 HIS C C 117 170.344 171.568 -1.224 1
1 1058 . 2 1 1 A 117 117 HIS HA H 117 4.868 3.928 0.940 1
1 1061 . 2 1 1 A 118 118 TYR H H 118 9.020 8.409 0.611 1
1 1062 . 2 1 1 A 118 118 TYR N N 118 123.051 118.473 4.578 1
1 1063 . 2 1 1 A 118 118 TYR CA C 118 58.801 56.429 2.372 1
1 1064 . 2 1 1 A 118 118 TYR CB C 118 29.959 36.902 -6.943 1
1 1065 . 2 1 1 A 118 118 TYR C C 118 174.446 175.705 -1.259 1
1 1066 . 2 1 1 A 118 118 TYR HA H 118 3.897 4.354 -0.457 1
1 1069 . 2 1 1 A 119 119 GLY H H 119 7.999 8.564 -0.565 1
1 1070 . 2 1 1 A 119 119 GLY N N 119 116.885 112.035 4.850 1
1 1071 . 2 1 1 A 119 119 GLY CA C 119 42.599 45.607 -3.008 1
1 1072 . 2 1 1 A 119 119 GLY C C 119 172.439 173.555 -1.116 1
1 1073 . 2 1 1 A 119 119 GLY HA3 H 119 4.385 3.797 0.588 1
1 1074 . 2 1 1 A 119 119 GLY HA2 H 119 3.296 3.535 -0.239 1
1 1075 . 2 1 1 A 120 120 GLN H H 120 7.003 7.419 -0.416 1
1 1076 . 2 1 1 A 120 120 GLN N N 120 118.266 118.201 0.065 1
1 1077 . 2 1 1 A 120 120 GLN CA C 120 52.617 53.703 -1.086 1
1 1078 . 2 1 1 A 120 120 GLN CB C 120 27.324 32.715 -5.391 1
1 1079 . 2 1 1 A 120 120 GLN C C 120 174.995 175.865 -0.870 1
1 1080 . 2 1 1 A 120 120 GLN HA H 120 4.262 4.688 -0.426 1
1 1083 . 2 1 1 A 121 121 LYS H H 121 8.477 8.650 -0.173 1
1 1084 . 2 1 1 A 121 121 LYS N N 121 121.222 123.067 -1.845 1
1 1085 . 2 1 1 A 121 121 LYS CA C 121 56.243 57.045 -0.802 1
1 1086 . 2 1 1 A 121 121 LYS CB C 121 29.598 31.670 -2.072 1
1 1087 . 2 1 1 A 121 121 LYS C C 121 172.702 177.039 -4.337 1
1 1088 . 2 1 1 A 121 121 LYS HA H 121 3.809 4.213 -0.404 1
1 1093 . 2 1 1 A 122 122 ALA H H 122 7.526 7.697 -0.171 1
1 1094 . 2 1 1 A 122 122 ALA N N 122 116.019 121.990 -5.971 1
1 1095 . 2 1 1 A 122 122 ALA CA C 122 52.338 53.839 -1.501 1
1 1096 . 2 1 1 A 122 122 ALA CB C 122 18.675 18.142 0.533 1
1 1097 . 2 1 1 A 122 122 ALA C C 122 172.756 177.496 -4.740 1
1 1098 . 2 1 1 A 122 122 ALA HA H 122 3.947 3.932 0.015 1
1 1102 . 2 1 1 A 123 123 ILE H H 123 5.794 7.373 -1.579 1
1 1103 . 2 1 1 A 123 123 ILE N N 123 101.200 114.002 -12.802 1
1 1104 . 2 1 1 A 123 123 ILE CA C 123 57.297 60.846 -3.549 1
1 1105 . 2 1 1 A 123 123 ILE CB C 123 35.425 37.508 -2.083 1
1 1106 . 2 1 1 A 123 123 ILE C C 123 172.790 175.187 -2.397 1
1 1107 . 2 1 1 A 123 123 ILE HA H 123 5.184 4.109 1.075 1
1 1116 . 2 1 1 A 124 124 LEU H H 124 6.716 6.964 -0.248 1
1 1117 . 2 1 1 A 124 124 LEU N N 124 121.554 122.854 -1.300 1
1 1118 . 2 1 1 A 124 124 LEU CA C 124 51.686 53.539 -1.853 1
1 1119 . 2 1 1 A 124 124 LEU CB C 124 39.622 40.454 -0.832 1
1 1120 . 2 1 1 A 124 124 LEU C C 124 173.411 175.120 -1.709 1
1 1121 . 2 1 1 A 124 124 LEU HA H 124 4.597 4.177 0.420 1
1 1130 . 2 1 1 A 125 125 PHE H H 125 9.226 8.947 0.279 1
1 1131 . 2 1 1 A 125 125 PHE N N 125 121.900 124.723 -2.823 1
1 1132 . 2 1 1 A 125 125 PHE CA C 125 54.604 57.234 -2.630 1
1 1133 . 2 1 1 A 125 125 PHE CB C 125 41.692 41.283 0.409 1
1 1134 . 2 1 1 A 125 125 PHE C C 125 172.768 174.940 -2.172 1
1 1135 . 2 1 1 A 125 125 PHE HA H 125 5.612 5.013 0.599 1
1 1138 . 2 1 1 A 126 126 LEU H H 126 9.932 9.075 0.857 1
1 1139 . 2 1 1 A 126 126 LEU N N 126 125.427 124.614 0.813 1
1 1140 . 2 1 1 A 126 126 LEU CA C 126 48.875 51.611 -2.736 1
1 1141 . 2 1 1 A 127 127 PRO CA C 127 58.907 62.242 -3.335 1
1 1142 . 2 1 1 A 127 127 PRO CB C 127 28.730 31.840 -3.110 1
1 1143 . 2 1 1 A 127 127 PRO C C 127 174.541 176.083 -1.542 1
1 1144 . 2 1 1 A 127 127 PRO HA H 127 5.587 5.423 0.164 1
1 1147 . 2 1 1 A 128 128 LEU H H 128 9.674 8.470 1.204 1
1 1148 . 2 1 1 A 128 128 LEU N N 128 129.196 125.084 4.112 1
1 1149 . 2 1 1 A 128 128 LEU CA C 128 49.523 51.883 -2.360 1
1 1150 . 2 1 1 A 128 128 LEU C C 128 175.960 175.474 0.486 1
1 1151 . 2 1 1 A 129 129 PRO CA C 129 60.043 62.319 -2.276 1
1 1152 . 2 1 1 A 129 129 PRO CB C 129 29.800 32.464 -2.664 1
1 1153 . 2 1 1 A 129 129 PRO C C 129 174.414 176.449 -2.035 1
1 1154 . 2 1 1 A 129 129 PRO HA H 129 4.710 4.783 -0.073 1
1 1160 . 2 1 1 A 130 130 VAL H H 130 7.992 8.042 -0.050 1
1 1161 . 2 1 1 A 130 130 VAL N N 130 118.275 121.578 -3.303 1
1 1162 . 2 1 1 A 130 130 VAL CA C 130 61.494 62.607 -1.113 1
1 1163 . 2 1 1 A 130 130 VAL CB C 130 29.649 32.152 -2.503 1
1 1164 . 2 1 1 A 130 130 VAL C C 130 174.097 175.571 -1.474 1
1 1165 . 2 1 1 A 130 130 VAL HA H 130 3.794 4.273 -0.479 1
1 1173 . 2 1 1 A 131 131 SER H H 131 7.844 8.717 -0.873 1
1 1174 . 2 1 1 A 131 131 SER N N 131 115.853 123.040 -7.187 1
1 1175 . 2 1 1 A 131 131 SER CA C 131 55.233 56.983 -1.750 1
1 1176 . 2 1 1 A 131 131 SER CB C 131 61.375 63.968 -2.593 1
1 1177 . 2 1 1 A 131 131 SER C C 131 173.574 173.736 -0.162 1
1 1178 . 2 1 1 A 131 131 SER HA H 131 4.218 5.055 -0.837 1
1 1181 . 2 1 1 A 132 132 SER H H 132 8.196 9.017 -0.821 1
1 1182 . 2 1 1 A 132 132 SER N N 132 118.100 122.270 -4.170 1
1 1183 . 2 1 1 A 132 132 SER CA C 132 56.021 57.673 -1.652 1
1 1184 . 2 1 1 A 132 132 SER CB C 132 61.848 65.077 -3.229 1
1 1185 . 2 1 1 A 132 132 SER C C 132 170.997 173.208 -2.211 1
1 1186 . 2 1 1 A 132 132 SER HA H 132 4.484 5.259 -0.775 1
1 12 . 3 1 1 A 2 2 LYS H H 2 7.955 9.417 -1.462 1
1 13 . 3 1 1 A 2 2 LYS N N 2 120.000 120.495 -0.495 1
1 14 . 3 1 1 A 2 2 LYS CA C 2 51.913 55.421 -3.508 1
1 15 . 3 1 1 A 2 2 LYS C C 2 174.300 178.493 -4.193 1
1 16 . 3 1 1 A 2 2 LYS HA H 2 4.270 4.547 -0.277 1
1 18 . 3 1 1 A 3 3 LYS H H 3 7.960 8.838 -0.878 1
1 19 . 3 1 1 A 3 3 LYS N N 3 119.640 123.056 -3.416 1
1 20 . 3 1 1 A 3 3 LYS CA C 3 51.900 61.263 -9.363 1
1 21 . 3 1 1 A 3 3 LYS HA H 3 4.600 4.148 0.452 1
1 24 . 3 1 1 A 4 4 PRO CA C 4 60.687 63.365 -2.678 1
1 25 . 3 1 1 A 4 4 PRO C C 4 172.359 175.955 -3.596 1
1 26 . 3 1 1 A 4 4 PRO CB C 4 30.627 31.941 -1.314 1
1 27 . 3 1 1 A 4 4 PRO HA H 4 4.716 4.469 0.247 1
1 29 . 3 1 1 A 5 5 LYS H H 5 9.357 9.283 0.074 1
1 30 . 3 1 1 A 5 5 LYS N N 5 119.100 121.516 -2.416 1
1 31 . 3 1 1 A 5 5 LYS CA C 5 51.445 54.721 -3.276 1
1 32 . 3 1 1 A 5 5 LYS CB C 5 34.945 35.726 -0.781 1
1 33 . 3 1 1 A 5 5 LYS C C 5 171.776 174.806 -3.030 1
1 34 . 3 1 1 A 5 5 LYS HA H 5 5.062 4.845 0.217 1
1 37 . 3 1 1 A 6 6 LEU H H 6 8.944 9.267 -0.323 1
1 38 . 3 1 1 A 6 6 LEU N N 6 117.400 124.076 -6.676 1
1 39 . 3 1 1 A 6 6 LEU CA C 6 50.259 53.383 -3.124 1
1 40 . 3 1 1 A 6 6 LEU CB C 6 41.472 44.953 -3.481 1
1 41 . 3 1 1 A 6 6 LEU C C 6 174.676 175.100 -0.424 1
1 42 . 3 1 1 A 6 6 LEU HA H 6 4.984 5.217 -0.233 1
1 51 . 3 1 1 A 7 7 LEU H H 7 10.297 8.942 1.355 1
1 52 . 3 1 1 A 7 7 LEU N N 7 125.000 127.875 -2.875 1
1 53 . 3 1 1 A 7 7 LEU CA C 7 53.596 53.661 -0.065 1
1 54 . 3 1 1 A 7 7 LEU C C 7 172.290 175.278 -2.988 1
1 55 . 3 1 1 A 7 7 LEU HA H 7 5.083 5.005 0.078 1
1 65 . 3 1 1 A 8 8 TYR H H 8 8.483 8.929 -0.446 1
1 66 . 3 1 1 A 8 8 TYR N N 8 125.000 128.939 -3.939 1
1 67 . 3 1 1 A 8 8 TYR CA C 8 54.761 56.177 -1.416 1
1 68 . 3 1 1 A 8 8 TYR CB C 8 37.988 39.848 -1.860 1
1 69 . 3 1 1 A 8 8 TYR C C 8 171.270 174.344 -3.074 1
1 70 . 3 1 1 A 8 8 TYR HA H 8 4.592 5.330 -0.738 1
1 73 . 3 1 1 A 9 9 CYS H H 9 9.235 8.996 0.239 1
1 74 . 3 1 1 A 9 9 CYS N N 9 130.104 128.267 1.837 1
1 75 . 3 1 1 A 9 9 CYS CA C 9 55.588 57.731 -2.143 1
1 76 . 3 1 1 A 9 9 CYS CB C 9 26.864 27.516 -0.652 1
1 77 . 3 1 1 A 9 9 CYS C C 9 172.619 173.012 -0.393 1
1 78 . 3 1 1 A 9 9 CYS HA H 9 4.163 4.901 -0.738 1
1 82 . 3 1 1 A 10 10 SER H H 10 8.173 8.110 0.063 1
1 83 . 3 1 1 A 10 10 SER N N 10 122.600 120.811 1.789 1
1 84 . 3 1 1 A 10 10 SER CA C 10 57.853 56.325 1.528 1
1 85 . 3 1 1 A 10 10 SER CB C 10 61.820 65.505 -3.685 1
1 86 . 3 1 1 A 10 10 SER C C 10 172.210 172.582 -0.372 1
1 87 . 3 1 1 A 10 10 SER HA H 10 3.920 4.907 -0.987 1
1 89 . 3 1 1 A 11 11 ASN H H 11 7.450 8.743 -1.293 1
1 90 . 3 1 1 A 11 11 ASN N N 11 119.550 122.384 -2.834 1
1 91 . 3 1 1 A 11 11 ASN CA C 11 52.430 52.650 -0.220 1
1 92 . 3 1 1 A 11 11 ASN HA H 11 4.360 5.068 -0.708 1
1 94 . 3 1 1 A 12 12 GLY C C 12 171.806 172.503 -0.697 1
1 95 . 3 1 1 A 12 12 GLY CA C 12 41.915 45.930 -4.015 1
1 96 . 3 1 1 A 12 12 GLY HA3 H 12 3.927 4.234 -0.307 1
1 97 . 3 1 1 A 12 12 GLY H H 12 7.096 7.891 -0.795 1
1 98 . 3 1 1 A 12 12 GLY N N 12 109.300 109.543 -0.243 1
1 99 . 3 1 1 A 13 13 GLY H H 13 7.096 8.057 -0.961 1
1 100 . 3 1 1 A 13 13 GLY N N 13 109.300 110.067 -0.767 1
1 101 . 3 1 1 A 13 13 GLY CA C 13 44.272 45.697 -1.425 1
1 102 . 3 1 1 A 13 13 GLY C C 13 170.445 172.422 -1.977 1
1 103 . 3 1 1 A 13 13 GLY HA2 H 13 3.598 4.302 -0.704 1
1 104 . 3 1 1 A 13 13 GLY HA3 H 13 3.204 4.430 -1.226 1
1 105 . 3 1 1 A 14 14 HIS H H 14 6.302 8.842 -2.540 1
1 106 . 3 1 1 A 14 14 HIS N N 14 113.600 121.142 -7.542 1
1 107 . 3 1 1 A 14 14 HIS CA C 14 54.319 54.109 0.210 1
1 108 . 3 1 1 A 14 14 HIS CB C 14 31.792 33.865 -2.073 1
1 109 . 3 1 1 A 14 14 HIS C C 14 171.281 173.473 -2.192 1
1 110 . 3 1 1 A 14 14 HIS HA H 14 4.104 4.616 -0.512 1
1 113 . 3 1 1 A 15 15 PHE H H 15 9.298 8.826 0.472 1
1 114 . 3 1 1 A 15 15 PHE N N 15 120.700 118.029 2.671 1
1 115 . 3 1 1 A 15 15 PHE CA C 15 54.273 56.505 -2.232 1
1 116 . 3 1 1 A 15 15 PHE CB C 15 37.632 43.149 -5.517 1
1 117 . 3 1 1 A 15 15 PHE C C 15 173.938 174.480 -0.542 1
1 118 . 3 1 1 A 15 15 PHE HA H 15 5.390 5.150 0.240 1
1 121 . 3 1 1 A 16 16 LEU H H 16 8.480 8.471 0.009 1
1 122 . 3 1 1 A 16 16 LEU N N 16 124.700 125.072 -0.372 1
1 123 . 3 1 1 A 16 16 LEU CA C 16 54.440 54.910 -0.470 1
1 124 . 3 1 1 A 16 16 LEU C C 16 171.758 176.134 -4.376 1
1 125 . 3 1 1 A 16 16 LEU CB C 16 41.301 43.618 -2.317 1
1 126 . 3 1 1 A 16 16 LEU HA H 16 4.394 5.548 -1.154 1
1 129 . 3 1 1 A 17 17 ARG H H 17 9.339 9.612 -0.273 1
1 130 . 3 1 1 A 17 17 ARG N N 17 126.971 124.914 2.057 1
1 131 . 3 1 1 A 17 17 ARG CA C 17 53.301 54.335 -1.034 1
1 132 . 3 1 1 A 17 17 ARG CB C 17 32.620 33.985 -1.365 1
1 133 . 3 1 1 A 17 17 ARG C C 17 171.302 175.022 -3.720 1
1 134 . 3 1 1 A 17 17 ARG HA H 17 4.715 5.368 -0.653 1
1 141 . 3 1 1 A 18 18 ILE H H 18 6.989 8.626 -1.637 1
1 142 . 3 1 1 A 18 18 ILE N N 18 120.966 119.213 1.753 1
1 143 . 3 1 1 A 18 18 ILE CA C 18 57.903 59.865 -1.962 1
1 144 . 3 1 1 A 18 18 ILE C C 18 173.747 174.843 -1.096 1
1 145 . 3 1 1 A 18 18 ILE HA H 18 4.563 4.852 -0.289 1
1 150 . 3 1 1 A 19 19 LEU H H 19 8.940 8.887 0.053 1
1 151 . 3 1 1 A 19 19 LEU N N 19 128.097 127.175 0.922 1
1 152 . 3 1 1 A 19 19 LEU CA C 19 51.419 51.587 -0.168 1
1 153 . 3 1 1 A 20 20 PRO CA C 20 62.710 64.017 -1.307 1
1 154 . 3 1 1 A 20 20 PRO CB C 20 29.518 32.274 -2.756 1
1 155 . 3 1 1 A 20 20 PRO C C 20 173.966 177.256 -3.290 1
1 156 . 3 1 1 A 20 20 PRO HA H 20 4.319 4.515 -0.196 1
1 161 . 3 1 1 A 21 21 ASP H H 21 7.415 7.943 -0.528 1
1 162 . 3 1 1 A 21 21 ASP N N 21 114.000 118.642 -4.642 1
1 163 . 3 1 1 A 21 21 ASP CA C 21 51.361 54.819 -3.458 1
1 164 . 3 1 1 A 21 21 ASP CB C 21 37.419 41.459 -4.040 1
1 165 . 3 1 1 A 21 21 ASP C C 21 174.570 176.286 -1.716 1
1 166 . 3 1 1 A 21 21 ASP HA H 21 4.513 4.662 -0.149 1
1 169 . 3 1 1 A 22 22 GLY H H 22 8.404 7.723 0.681 1
1 170 . 3 1 1 A 22 22 GLY N N 22 109.100 107.034 2.066 1
1 171 . 3 1 1 A 22 22 GLY CA C 22 43.166 45.397 -2.231 1
1 172 . 3 1 1 A 22 22 GLY C C 22 172.565 174.111 -1.546 1
1 173 . 3 1 1 A 22 22 GLY HA3 H 22 4.632 4.169 0.463 1
1 174 . 3 1 1 A 22 22 GLY HA2 H 22 3.838 4.130 -0.292 1
1 175 . 3 1 1 A 23 23 THR H H 23 7.894 7.409 0.485 1
1 176 . 3 1 1 A 23 23 THR N N 23 116.800 114.576 2.224 1
1 177 . 3 1 1 A 23 23 THR CA C 23 61.304 61.351 -0.047 1
1 178 . 3 1 1 A 23 23 THR CB C 23 67.455 71.579 -4.124 1
1 179 . 3 1 1 A 23 23 THR C C 23 170.170 173.498 -3.328 1
1 180 . 3 1 1 A 23 23 THR HA H 23 4.489 4.862 -0.373 1
1 185 . 3 1 1 A 24 24 VAL H H 24 7.792 9.056 -1.264 1
1 186 . 3 1 1 A 24 24 VAL N N 24 123.100 126.993 -3.893 1
1 187 . 3 1 1 A 24 24 VAL CA C 24 58.203 61.512 -3.309 1
1 188 . 3 1 1 A 24 24 VAL CB C 24 31.847 32.548 -0.701 1
1 189 . 3 1 1 A 24 24 VAL C C 24 171.629 174.494 -2.865 1
1 190 . 3 1 1 A 24 24 VAL HA H 24 5.084 4.622 0.462 1
1 195 . 3 1 1 A 25 25 ASP H H 25 8.906 8.521 0.385 1
1 196 . 3 1 1 A 25 25 ASP N N 25 131.200 124.878 6.322 1
1 197 . 3 1 1 A 25 25 ASP CA C 25 50.847 52.133 -1.286 1
1 198 . 3 1 1 A 25 25 ASP CB C 25 38.730 44.934 -6.204 1
1 199 . 3 1 1 A 25 25 ASP C C 25 170.281 174.392 -4.111 1
1 200 . 3 1 1 A 25 25 ASP HA H 25 4.313 5.385 -1.072 1
1 203 . 3 1 1 A 26 26 GLY H H 26 7.891 8.982 -1.091 1
1 204 . 3 1 1 A 26 26 GLY N N 26 102.500 108.501 -6.001 1
1 205 . 3 1 1 A 26 26 GLY CA C 26 42.057 44.906 -2.849 1
1 206 . 3 1 1 A 26 26 GLY C C 26 169.975 173.034 -3.059 1
1 207 . 3 1 1 A 26 26 GLY HA3 H 26 5.529 4.196 1.333 1
1 208 . 3 1 1 A 26 26 GLY HA2 H 26 3.015 4.181 -1.166 1
1 209 . 3 1 1 A 27 27 THR H H 27 8.529 9.468 -0.939 1
1 210 . 3 1 1 A 27 27 THR N N 27 112.700 118.465 -5.765 1
1 211 . 3 1 1 A 27 27 THR CA C 27 56.740 61.105 -4.365 1
1 212 . 3 1 1 A 27 27 THR CB C 27 67.326 72.568 -5.242 1
1 213 . 3 1 1 A 27 27 THR C C 27 170.554 172.903 -2.349 1
1 214 . 3 1 1 A 27 27 THR HA H 27 5.189 4.786 0.403 1
1 219 . 3 1 1 A 28 28 ARG H H 28 8.993 8.314 0.679 1
1 220 . 3 1 1 A 28 28 ARG N N 28 127.500 124.277 3.223 1
1 221 . 3 1 1 A 28 28 ARG CA C 28 54.938 55.251 -0.313 1
1 222 . 3 1 1 A 28 28 ARG CB C 28 37.260 30.811 6.449 1
1 223 . 3 1 1 A 28 28 ARG C C 28 173.450 174.932 -1.482 1
1 224 . 3 1 1 A 28 28 ARG HA H 28 4.691 4.761 -0.070 1
1 227 . 3 1 1 A 29 29 ASP H H 29 8.323 8.481 -0.158 1
1 228 . 3 1 1 A 29 29 ASP N N 29 121.000 123.977 -2.977 1
1 229 . 3 1 1 A 29 29 ASP CA C 29 50.779 53.174 -2.395 1
1 230 . 3 1 1 A 29 29 ASP C C 29 172.275 175.552 -3.277 1
1 231 . 3 1 1 A 29 29 ASP HA H 29 4.661 5.289 -0.628 1
1 234 . 3 1 1 A 30 30 ARG H H 30 8.342 8.911 -0.569 1
1 235 . 3 1 1 A 30 30 ARG N N 30 126.100 122.988 3.112 1
1 236 . 3 1 1 A 30 30 ARG CA C 30 54.924 56.521 -1.597 1
1 237 . 3 1 1 A 30 30 ARG CB C 30 28.367 30.276 -1.909 1
1 238 . 3 1 1 A 30 30 ARG C C 30 173.454 176.515 -3.061 1
1 239 . 3 1 1 A 30 30 ARG HA H 30 3.592 4.537 -0.945 1
1 243 . 3 1 1 A 31 31 SER H H 31 8.379 8.095 0.284 1
1 244 . 3 1 1 A 31 31 SER N N 31 113.600 114.285 -0.685 1
1 245 . 3 1 1 A 31 31 SER CA C 31 55.918 58.295 -2.377 1
1 246 . 3 1 1 A 31 31 SER CB C 31 61.807 63.834 -2.027 1
1 247 . 3 1 1 A 31 31 SER C C 31 171.758 173.562 -1.804 1
1 248 . 3 1 1 A 31 31 SER HA H 31 4.397 4.644 -0.247 1
1 251 . 3 1 1 A 32 32 ASP H H 32 7.105 7.730 -0.625 1
1 252 . 3 1 1 A 32 32 ASP N N 32 125.000 123.050 1.950 1
1 253 . 3 1 1 A 32 32 ASP CA C 32 53.116 52.389 0.727 1
1 254 . 3 1 1 A 32 32 ASP CB C 32 41.585 43.476 -1.891 1
1 255 . 3 1 1 A 32 32 ASP C C 32 174.497 175.752 -1.255 1
1 256 . 3 1 1 A 32 32 ASP HA H 32 4.276 4.856 -0.580 1
1 259 . 3 1 1 A 33 33 GLN H H 33 8.775 8.693 0.082 1
1 260 . 3 1 1 A 33 33 GLN N N 33 124.700 121.895 2.805 1
1 261 . 3 1 1 A 33 33 GLN CA C 33 55.127 55.300 -0.173 1
1 262 . 3 1 1 A 33 33 GLN CB C 33 26.601 28.819 -2.218 1
1 263 . 3 1 1 A 33 33 GLN C C 33 174.900 175.990 -1.090 1
1 264 . 3 1 1 A 33 33 GLN HA H 33 4.061 4.591 -0.530 1
1 271 . 3 1 1 A 34 34 HIS H H 34 9.681 7.932 1.749 1
1 272 . 3 1 1 A 34 34 HIS N N 34 116.700 117.676 -0.976 1
1 273 . 3 1 1 A 34 34 HIS CA C 34 55.739 56.136 -0.397 1
1 274 . 3 1 1 A 34 34 HIS CB C 34 26.065 31.719 -5.654 1
1 275 . 3 1 1 A 34 34 HIS C C 34 172.307 175.637 -3.330 1
1 276 . 3 1 1 A 34 34 HIS HA H 34 4.885 4.806 0.079 1
1 279 . 3 1 1 A 35 35 ILE H H 35 6.711 7.663 -0.952 1
1 280 . 3 1 1 A 35 35 ILE N N 35 108.600 110.892 -2.292 1
1 281 . 3 1 1 A 35 35 ILE CA C 35 58.395 61.130 -2.735 1
1 282 . 3 1 1 A 35 35 ILE CB C 35 35.989 37.457 -1.468 1
1 283 . 3 1 1 A 35 35 ILE C C 35 172.249 175.889 -3.640 1
1 284 . 3 1 1 A 35 35 ILE HA H 35 5.114 4.611 0.503 1
1 293 . 3 1 1 A 36 36 GLN H H 36 7.148 7.888 -0.740 1
1 294 . 3 1 1 A 36 36 GLN N N 36 120.018 120.705 -0.687 1
1 295 . 3 1 1 A 36 36 GLN CA C 36 55.111 54.898 0.213 1
1 296 . 3 1 1 A 36 36 GLN CB C 36 25.190 29.980 -4.790 1
1 297 . 3 1 1 A 36 36 GLN C C 36 172.952 174.841 -1.889 1
1 298 . 3 1 1 A 36 36 GLN HA H 36 4.261 4.830 -0.569 1
1 305 . 3 1 1 A 37 37 LEU H H 37 9.110 9.244 -0.134 1
1 306 . 3 1 1 A 37 37 LEU N N 37 127.600 123.149 4.451 1
1 307 . 3 1 1 A 37 37 LEU CA C 37 51.329 52.639 -1.310 1
1 308 . 3 1 1 A 37 37 LEU CB C 37 42.165 44.731 -2.566 1
1 309 . 3 1 1 A 37 37 LEU C C 37 172.877 174.917 -2.040 1
1 310 . 3 1 1 A 37 37 LEU HA H 37 5.315 5.101 0.214 1
1 319 . 3 1 1 A 38 38 GLN H H 38 9.556 9.169 0.387 1
1 320 . 3 1 1 A 38 38 GLN N N 38 120.583 121.195 -0.612 1
1 321 . 3 1 1 A 38 38 GLN CA C 38 51.810 54.928 -3.118 1
1 322 . 3 1 1 A 38 38 GLN CB C 38 29.259 29.660 -0.401 1
1 323 . 3 1 1 A 38 38 GLN C C 38 172.676 174.340 -1.664 1
1 324 . 3 1 1 A 38 38 GLN HA H 38 4.623 4.537 0.086 1
1 328 . 3 1 1 A 39 39 LEU H H 39 8.926 8.915 0.011 1
1 329 . 3 1 1 A 39 39 LEU N N 39 131.700 129.757 1.943 1
1 330 . 3 1 1 A 39 39 LEU CA C 39 53.062 53.617 -0.555 1
1 331 . 3 1 1 A 39 39 LEU C C 39 174.601 175.038 -0.437 1
1 332 . 3 1 1 A 39 39 LEU HA H 39 5.506 5.201 0.305 1
1 341 . 3 1 1 A 40 40 SER H H 40 8.569 8.690 -0.121 1
1 342 . 3 1 1 A 40 40 SER N N 40 115.900 124.105 -8.205 1
1 343 . 3 1 1 A 40 40 SER CA C 40 54.925 57.500 -2.575 1
1 344 . 3 1 1 A 40 40 SER CB C 40 46.694 66.168 -19.474 1
1 345 . 3 1 1 A 40 40 SER C C 40 170.046 172.966 -2.920 1
1 346 . 3 1 1 A 40 40 SER HA H 40 4.676 5.216 -0.540 1
1 349 . 3 1 1 A 41 41 ALA H H 41 8.357 8.558 -0.201 1
1 350 . 3 1 1 A 41 41 ALA N N 41 125.900 125.072 0.828 1
1 351 . 3 1 1 A 41 41 ALA CA C 41 49.309 50.628 -1.319 1
1 352 . 3 1 1 A 41 41 ALA CB C 41 27.376 20.118 7.258 1
1 353 . 3 1 1 A 41 41 ALA C C 41 175.352 176.843 -1.491 1
1 354 . 3 1 1 A 41 41 ALA HA H 41 5.016 5.045 -0.029 1
1 358 . 3 1 1 A 42 42 GLU H H 42 8.485 8.969 -0.484 1
1 359 . 3 1 1 A 42 42 GLU N N 42 125.400 126.140 -0.740 1
1 360 . 3 1 1 A 42 42 GLU CA C 42 54.611 57.355 -2.744 1
1 361 . 3 1 1 A 42 42 GLU CB C 42 28.181 31.593 -3.412 1
1 362 . 3 1 1 A 42 42 GLU C C 42 174.014 176.314 -2.300 1
1 363 . 3 1 1 A 42 42 GLU HA H 42 4.444 4.569 -0.125 1
1 368 . 3 1 1 A 43 43 SER H H 43 8.020 8.162 -0.142 1
1 369 . 3 1 1 A 43 43 SER N N 43 113.900 115.750 -1.850 1
1 370 . 3 1 1 A 43 43 SER CA C 43 55.014 57.387 -2.373 1
1 371 . 3 1 1 A 43 43 SER CB C 43 61.687 65.204 -3.517 1
1 372 . 3 1 1 A 43 43 SER C C 43 171.119 173.879 -2.760 1
1 373 . 3 1 1 A 43 43 SER HA H 43 4.516 4.781 -0.265 1
1 376 . 3 1 1 A 44 44 VAL H H 44 8.113 8.400 -0.287 1
1 377 . 3 1 1 A 44 44 VAL N N 44 121.100 121.596 -0.496 1
1 378 . 3 1 1 A 44 44 VAL CA C 44 62.838 63.609 -0.771 1
1 379 . 3 1 1 A 44 44 VAL CB C 44 28.991 31.286 -2.295 1
1 380 . 3 1 1 A 44 44 VAL C C 44 175.533 176.437 -0.904 1
1 381 . 3 1 1 A 44 44 VAL HA H 44 3.868 3.915 -0.047 1
1 389 . 3 1 1 A 45 45 GLY H H 45 8.807 8.687 0.120 1
1 390 . 3 1 1 A 45 45 GLY N N 45 115.545 114.814 0.731 1
1 391 . 3 1 1 A 45 45 GLY CA C 45 43.553 45.336 -1.783 1
1 392 . 3 1 1 A 45 45 GLY C C 45 170.948 173.727 -2.779 1
1 393 . 3 1 1 A 45 45 GLY HA3 H 45 4.296 3.988 0.308 1
1 394 . 3 1 1 A 45 45 GLY HA2 H 45 3.995 3.981 0.014 1
1 395 . 3 1 1 A 46 46 GLU H H 46 7.985 8.045 -0.060 1
1 396 . 3 1 1 A 46 46 GLU N N 46 121.200 121.561 -0.361 1
1 397 . 3 1 1 A 46 46 GLU CA C 46 52.751 56.066 -3.315 1
1 398 . 3 1 1 A 46 46 GLU CB C 46 29.432 31.336 -1.904 1
1 399 . 3 1 1 A 46 46 GLU C C 46 173.583 176.171 -2.588 1
1 400 . 3 1 1 A 46 46 GLU HA H 46 5.442 4.476 0.966 1
1 405 . 3 1 1 A 47 47 VAL H H 47 9.560 9.165 0.395 1
1 406 . 3 1 1 A 47 47 VAL N N 47 116.400 121.082 -4.682 1
1 407 . 3 1 1 A 47 47 VAL CA C 47 56.846 59.787 -2.941 1
1 408 . 3 1 1 A 47 47 VAL CB C 47 33.714 34.518 -0.804 1
1 409 . 3 1 1 A 47 47 VAL C C 47 172.960 173.668 -0.708 1
1 410 . 3 1 1 A 47 47 VAL HA H 47 5.505 5.159 0.346 1
1 418 . 3 1 1 A 48 48 TYR H H 48 8.415 9.336 -0.921 1
1 419 . 3 1 1 A 48 48 TYR N N 48 117.400 126.174 -8.774 1
1 420 . 3 1 1 A 48 48 TYR CA C 48 54.331 55.757 -1.426 1
1 421 . 3 1 1 A 48 48 TYR CB C 48 39.296 41.848 -2.552 1
1 422 . 3 1 1 A 48 48 TYR C C 48 173.423 173.667 -0.244 1
1 423 . 3 1 1 A 48 48 TYR HA H 48 5.290 5.316 -0.026 1
1 426 . 3 1 1 A 49 49 ILE H H 49 10.532 9.166 1.366 1
1 427 . 3 1 1 A 49 49 ILE N N 49 123.100 128.655 -5.555 1
1 428 . 3 1 1 A 49 49 ILE CA C 49 59.573 60.298 -0.725 1
1 429 . 3 1 1 A 49 49 ILE CB C 49 40.504 38.151 2.353 1
1 430 . 3 1 1 A 49 49 ILE C C 49 170.853 175.299 -4.446 1
1 431 . 3 1 1 A 49 49 ILE HA H 49 4.341 4.601 -0.260 1
1 438 . 3 1 1 A 50 50 LYS H H 50 8.511 8.670 -0.159 1
1 439 . 3 1 1 A 50 50 LYS N N 50 125.800 127.524 -1.724 1
1 440 . 3 1 1 A 50 50 LYS CA C 50 51.179 54.050 -2.871 1
1 441 . 3 1 1 A 50 50 LYS CB C 50 34.816 35.018 -0.202 1
1 442 . 3 1 1 A 50 50 LYS C C 50 173.759 174.954 -1.195 1
1 443 . 3 1 1 A 50 50 LYS HA H 50 4.991 4.544 0.447 1
1 451 . 3 1 1 A 51 51 SER H H 51 8.920 8.560 0.360 1
1 452 . 3 1 1 A 51 51 SER N N 51 117.579 117.191 0.388 1
1 453 . 3 1 1 A 51 51 SER CA C 51 55.043 57.668 -2.625 1
1 454 . 3 1 1 A 51 51 SER CB C 51 61.065 63.608 -2.543 1
1 455 . 3 1 1 A 51 51 SER C C 51 175.084 174.000 1.084 1
1 456 . 3 1 1 A 51 51 SER HA H 51 4.666 4.381 0.285 1
1 459 . 3 1 1 A 52 52 THR H H 52 8.342 8.187 0.155 1
1 460 . 3 1 1 A 52 52 THR N N 52 123.200 122.480 0.720 1
1 461 . 3 1 1 A 52 52 THR CA C 52 62.792 64.650 -1.858 1
1 462 . 3 1 1 A 52 52 THR CB C 52 65.611 68.880 -3.269 1
1 463 . 3 1 1 A 52 52 THR C C 52 173.566 176.484 -2.918 1
1 464 . 3 1 1 A 52 52 THR HA H 52 3.996 3.993 0.003 1
1 469 . 3 1 1 A 53 53 GLU H H 53 8.312 7.891 0.421 1
1 470 . 3 1 1 A 53 53 GLU N N 53 122.000 120.670 1.330 1
1 471 . 3 1 1 A 53 53 GLU CA C 53 55.889 58.303 -2.414 1
1 472 . 3 1 1 A 53 53 GLU CB C 53 28.359 30.455 -2.096 1
1 473 . 3 1 1 A 53 53 GLU C C 53 175.327 177.682 -2.355 1
1 474 . 3 1 1 A 53 53 GLU HA H 53 4.311 4.164 0.147 1
1 477 . 3 1 1 A 54 54 THR H H 54 7.724 7.639 0.085 1
1 478 . 3 1 1 A 54 54 THR N N 54 103.100 108.854 -5.754 1
1 479 . 3 1 1 A 54 54 THR CA C 54 58.555 61.248 -2.693 1
1 480 . 3 1 1 A 54 54 THR CB C 54 69.030 69.057 -0.027 1
1 481 . 3 1 1 A 54 54 THR C C 54 173.942 175.589 -1.647 1
1 482 . 3 1 1 A 54 54 THR HA H 54 4.681 4.666 0.015 1
1 487 . 3 1 1 A 55 55 GLY H H 55 7.643 8.182 -0.539 1
1 488 . 3 1 1 A 55 55 GLY N N 55 110.700 110.844 -0.144 1
1 489 . 3 1 1 A 55 55 GLY CA C 55 43.594 45.701 -2.107 1
1 490 . 3 1 1 A 55 55 GLY HA3 H 55 4.150 3.926 0.224 1
1 491 . 3 1 1 A 55 55 GLY HA2 H 55 3.591 3.870 -0.279 1
1 492 . 3 1 1 A 55 55 GLY C C 55 170.694 174.021 -3.327 1
1 493 . 3 1 1 A 56 56 GLN H H 56 7.211 7.210 0.001 1
1 494 . 3 1 1 A 56 56 GLN N N 56 115.700 116.119 -0.419 1
1 495 . 3 1 1 A 56 56 GLN CA C 56 53.898 55.731 -1.833 1
1 496 . 3 1 1 A 56 56 GLN CB C 56 30.456 32.307 -1.851 1
1 497 . 3 1 1 A 56 56 GLN C C 56 172.141 172.727 -0.586 1
1 498 . 3 1 1 A 56 56 GLN HA H 56 4.311 4.520 -0.209 1
1 504 . 3 1 1 A 57 57 TYR H H 57 9.254 8.886 0.368 1
1 505 . 3 1 1 A 57 57 TYR N N 57 119.400 123.706 -4.306 1
1 506 . 3 1 1 A 57 57 TYR CA C 57 53.356 56.280 -2.924 1
1 507 . 3 1 1 A 57 57 TYR CB C 57 40.466 37.098 3.368 1
1 508 . 3 1 1 A 57 57 TYR C C 57 173.320 174.952 -1.632 1
1 509 . 3 1 1 A 57 57 TYR HA H 57 4.128 4.897 -0.769 1
1 512 . 3 1 1 A 58 58 LEU H H 58 9.126 8.359 0.767 1
1 513 . 3 1 1 A 58 58 LEU N N 58 123.600 125.452 -1.852 1
1 514 . 3 1 1 A 58 58 LEU CA C 58 53.256 55.361 -2.105 1
1 515 . 3 1 1 A 58 58 LEU CB C 58 40.466 42.968 -2.502 1
1 516 . 3 1 1 A 58 58 LEU C C 58 172.320 175.740 -3.420 1
1 517 . 3 1 1 A 58 58 LEU HA H 58 4.128 4.445 -0.317 1
1 524 . 3 1 1 A 59 59 ALA H H 59 8.656 8.303 0.353 1
1 525 . 3 1 1 A 59 59 ALA N N 59 126.947 124.359 2.588 1
1 526 . 3 1 1 A 59 59 ALA CA C 59 48.450 50.806 -2.356 1
1 527 . 3 1 1 A 59 59 ALA CB C 59 21.261 21.321 -0.060 1
1 528 . 3 1 1 A 59 59 ALA C C 59 172.722 175.395 -2.673 1
1 529 . 3 1 1 A 59 59 ALA HA H 59 5.124 5.029 0.095 1
1 533 . 3 1 1 A 60 60 MET H H 60 7.521 8.707 -1.186 1
1 534 . 3 1 1 A 60 60 MET N N 60 116.602 122.720 -6.118 1
1 535 . 3 1 1 A 60 60 MET CA C 60 52.251 53.896 -1.645 1
1 536 . 3 1 1 A 60 60 MET CB C 60 35.046 32.765 2.281 1
1 537 . 3 1 1 A 60 60 MET C C 60 173.753 174.658 -0.905 1
1 538 . 3 1 1 A 60 60 MET HA H 60 5.527 4.973 0.554 1
1 543 . 3 1 1 A 61 61 ASP H H 61 9.159 8.469 0.690 1
1 544 . 3 1 1 A 61 61 ASP N N 61 128.445 125.037 3.408 1
1 545 . 3 1 1 A 61 61 ASP CA C 61 51.480 52.834 -1.354 1
1 546 . 3 1 1 A 61 61 ASP CB C 61 39.346 42.424 -3.078 1
1 547 . 3 1 1 A 61 61 ASP C C 61 175.800 176.690 -0.890 1
1 548 . 3 1 1 A 61 61 ASP HA H 61 5.046 4.947 0.099 1
1 551 . 3 1 1 A 62 62 THR H H 62 7.972 8.753 -0.781 1
1 552 . 3 1 1 A 62 62 THR N N 62 107.806 119.035 -11.229 1
1 553 . 3 1 1 A 62 62 THR CA C 62 62.626 63.286 -0.660 1
1 554 . 3 1 1 A 62 62 THR CB C 62 66.955 66.618 0.337 1
1 555 . 3 1 1 A 62 62 THR C C 62 172.355 174.024 -1.669 1
1 556 . 3 1 1 A 62 62 THR HA H 62 4.134 3.749 0.385 1
1 561 . 3 1 1 A 63 63 ASP H H 63 8.333 8.388 -0.055 1
1 562 . 3 1 1 A 63 63 ASP N N 63 119.831 120.994 -1.163 1
1 563 . 3 1 1 A 63 63 ASP CA C 63 51.865 55.737 -3.872 1
1 564 . 3 1 1 A 63 63 ASP CB C 63 39.182 40.882 -1.700 1
1 565 . 3 1 1 A 63 63 ASP C C 63 174.438 177.422 -2.984 1
1 566 . 3 1 1 A 63 63 ASP HA H 63 4.964 4.442 0.522 1
1 569 . 3 1 1 A 64 64 GLY H H 64 8.264 8.249 0.015 1
1 570 . 3 1 1 A 64 64 GLY N N 64 109.142 107.297 1.845 1
1 571 . 3 1 1 A 64 64 GLY CA C 64 42.923 46.377 -3.454 1
1 572 . 3 1 1 A 64 64 GLY C C 64 171.248 173.996 -2.748 1
1 573 . 3 1 1 A 64 64 GLY HA3 H 64 3.652 4.158 -0.506 1
1 574 . 3 1 1 A 64 64 GLY HA2 H 64 3.397 4.141 -0.744 1
1 575 . 3 1 1 A 65 65 LEU H H 65 8.636 7.362 1.274 1
1 576 . 3 1 1 A 65 65 LEU N N 65 123.137 119.754 3.383 1
1 577 . 3 1 1 A 65 65 LEU CA C 65 52.224 53.972 -1.748 1
1 578 . 3 1 1 A 65 65 LEU CB C 65 40.557 45.940 -5.383 1
1 579 . 3 1 1 A 65 65 LEU C C 65 174.507 175.580 -1.073 1
1 580 . 3 1 1 A 65 65 LEU HA H 65 4.529 4.921 -0.392 1
1 590 . 3 1 1 A 66 66 LEU H H 66 7.431 9.007 -1.576 1
1 591 . 3 1 1 A 66 66 LEU N N 66 124.493 125.118 -0.625 1
1 592 . 3 1 1 A 66 66 LEU CA C 66 51.635 53.729 -2.094 1
1 593 . 3 1 1 A 66 66 LEU CB C 66 40.474 41.589 -1.115 1
1 594 . 3 1 1 A 66 66 LEU C C 66 174.070 175.827 -1.757 1
1 595 . 3 1 1 A 66 66 LEU HA H 66 5.714 5.007 0.707 1
1 605 . 3 1 1 A 67 67 TYR H H 67 9.237 8.631 0.606 1
1 606 . 3 1 1 A 67 67 TYR N N 67 120.360 122.699 -2.339 1
1 607 . 3 1 1 A 67 67 TYR CA C 67 54.076 55.487 -1.411 1
1 608 . 3 1 1 A 67 67 TYR CB C 67 38.903 42.155 -3.252 1
1 609 . 3 1 1 A 67 67 TYR C C 67 169.640 173.904 -4.264 1
1 610 . 3 1 1 A 67 67 TYR HA H 67 5.023 5.826 -0.803 1
1 612 . 3 1 1 A 68 68 GLY H H 68 8.928 8.564 0.364 1
1 613 . 3 1 1 A 68 68 GLY N N 68 105.646 106.650 -1.004 1
1 614 . 3 1 1 A 68 68 GLY CA C 68 41.569 45.644 -4.075 1
1 615 . 3 1 1 A 68 68 GLY C C 68 170.551 173.955 -3.404 1
1 616 . 3 1 1 A 68 68 GLY HA2 H 68 4.676 4.265 0.411 1
1 617 . 3 1 1 A 69 69 SER H H 69 9.608 9.250 0.358 1
1 618 . 3 1 1 A 69 69 SER N N 69 120.100 120.157 -0.057 1
1 619 . 3 1 1 A 69 69 SER CA C 69 53.737 59.365 -5.628 1
1 620 . 3 1 1 A 69 69 SER CB C 69 63.042 65.927 -2.885 1
1 621 . 3 1 1 A 69 69 SER C C 69 174.219 174.708 -0.489 1
1 622 . 3 1 1 A 69 69 SER HA H 69 4.966 4.894 0.072 1
1 625 . 3 1 1 A 70 70 GLN H H 70 9.343 8.064 1.279 1
1 626 . 3 1 1 A 70 70 GLN N N 70 127.339 119.548 7.791 1
1 627 . 3 1 1 A 70 70 GLN CA C 70 56.139 57.811 -1.672 1
1 628 . 3 1 1 A 70 70 GLN CB C 70 27.092 30.078 -2.986 1
1 629 . 3 1 1 A 70 70 GLN C C 70 173.241 175.389 -2.148 1
1 630 . 3 1 1 A 70 70 GLN HA H 70 4.286 3.959 0.327 1
1 638 . 3 1 1 A 71 71 THR H H 71 7.532 7.993 -0.461 1
1 639 . 3 1 1 A 71 71 THR N N 71 108.100 109.232 -1.132 1
1 640 . 3 1 1 A 71 71 THR CA C 71 55.203 58.615 -3.412 1
1 641 . 3 1 1 A 71 71 THR HA H 71 4.780 4.901 -0.121 1
1 643 . 3 1 1 A 72 72 PRO CA C 72 60.050 62.147 -2.097 1
1 644 . 3 1 1 A 72 72 PRO CB C 72 26.678 31.326 -4.648 1
1 645 . 3 1 1 A 72 72 PRO C C 72 172.920 176.479 -3.559 1
1 646 . 3 1 1 A 72 72 PRO HA H 72 4.173 4.988 -0.815 1
1 649 . 3 1 1 A 73 73 ASN H H 73 7.321 8.820 -1.499 1
1 650 . 3 1 1 A 73 73 ASN N N 73 119.200 121.111 -1.911 1
1 651 . 3 1 1 A 73 73 ASN CA C 73 49.994 52.382 -2.388 1
1 652 . 3 1 1 A 74 74 GLU H H 74 9.030 8.689 0.341 1
1 653 . 3 1 1 A 74 74 GLU CA C 74 57.131 55.310 1.821 1
1 654 . 3 1 1 A 74 74 GLU CB C 74 27.005 29.661 -2.656 1
1 655 . 3 1 1 A 74 74 GLU C C 74 176.352 176.026 0.326 1
1 656 . 3 1 1 A 74 74 GLU HA H 74 4.130 4.671 -0.541 1
1 661 . 3 1 1 A 75 75 GLU H H 75 8.574 8.792 -0.218 1
1 662 . 3 1 1 A 75 75 GLU N N 75 119.200 124.016 -4.816 1
1 663 . 3 1 1 A 75 75 GLU CA C 75 56.343 56.426 -0.083 1
1 664 . 3 1 1 A 75 75 GLU CB C 75 26.028 31.723 -5.695 1
1 665 . 3 1 1 A 75 75 GLU C C 75 173.866 176.967 -3.101 1
1 666 . 3 1 1 A 75 75 GLU HA H 75 4.206 4.485 -0.279 1
1 671 . 3 1 1 A 76 76 CYS H H 76 7.727 7.754 -0.027 1
1 672 . 3 1 1 A 76 76 CYS N N 76 113.800 117.259 -3.459 1
1 673 . 3 1 1 A 76 76 CYS CA C 76 55.635 59.866 -4.231 1
1 674 . 3 1 1 A 76 76 CYS CB C 76 26.036 27.992 -1.956 1
1 675 . 3 1 1 A 76 76 CYS C C 76 170.849 174.501 -3.652 1
1 676 . 3 1 1 A 76 76 CYS HA H 76 5.426 4.130 1.296 1
1 679 . 3 1 1 A 77 77 LEU H H 77 6.241 7.207 -0.966 1
1 680 . 3 1 1 A 77 77 LEU N N 77 118.069 119.887 -1.818 1
1 681 . 3 1 1 A 77 77 LEU CA C 77 51.793 53.227 -1.434 1
1 682 . 3 1 1 A 77 77 LEU CB C 77 42.123 43.020 -0.897 1
1 683 . 3 1 1 A 77 77 LEU C C 77 173.882 175.691 -1.809 1
1 684 . 3 1 1 A 77 77 LEU HA H 77 4.555 4.310 0.245 1
1 694 . 3 1 1 A 78 78 PHE H H 78 9.067 8.636 0.431 1
1 695 . 3 1 1 A 78 78 PHE N N 78 122.377 119.625 2.752 1
1 696 . 3 1 1 A 78 78 PHE CA C 78 54.917 56.386 -1.469 1
1 697 . 3 1 1 A 78 78 PHE CB C 78 40.597 43.902 -3.305 1
1 698 . 3 1 1 A 78 78 PHE C C 78 171.853 174.532 -2.679 1
1 699 . 3 1 1 A 78 78 PHE HA H 78 5.169 5.104 0.065 1
1 702 . 3 1 1 A 79 79 LEU H H 79 9.958 8.572 1.386 1
1 703 . 3 1 1 A 79 79 LEU N N 79 122.126 123.173 -1.047 1
1 704 . 3 1 1 A 79 79 LEU CA C 79 51.232 54.368 -3.136 1
1 705 . 3 1 1 A 79 79 LEU CB C 79 38.511 44.291 -5.780 1
1 706 . 3 1 1 A 79 79 LEU C C 79 173.055 175.725 -2.670 1
1 707 . 3 1 1 A 79 79 LEU HA H 79 4.686 5.046 -0.360 1
1 713 . 3 1 1 A 80 80 GLU H H 80 8.347 9.483 -1.136 1
1 714 . 3 1 1 A 80 80 GLU N N 80 126.300 127.763 -1.463 1
1 715 . 3 1 1 A 80 80 GLU CA C 80 52.558 55.329 -2.771 1
1 716 . 3 1 1 A 80 80 GLU CB C 80 30.892 31.503 -0.611 1
1 717 . 3 1 1 A 80 80 GLU C C 80 173.355 175.146 -1.791 1
1 718 . 3 1 1 A 80 80 GLU HA H 80 4.832 5.171 -0.339 1
1 721 . 3 1 1 A 81 81 ARG H H 81 8.840 8.982 -0.142 1
1 722 . 3 1 1 A 81 81 ARG N N 81 129.522 128.502 1.020 1
1 723 . 3 1 1 A 81 81 ARG CA C 81 52.288 54.696 -2.408 1
1 724 . 3 1 1 A 81 81 ARG CB C 81 38.588 33.002 5.586 1
1 725 . 3 1 1 A 81 81 ARG C C 81 172.258 174.386 -2.128 1
1 726 . 3 1 1 A 81 81 ARG HA H 81 4.659 4.852 -0.193 1
1 732 . 3 1 1 A 82 82 LEU H H 82 8.347 8.855 -0.508 1
1 733 . 3 1 1 A 82 82 LEU N N 82 125.700 128.050 -2.350 1
1 734 . 3 1 1 A 82 82 LEU CA C 82 52.631 54.060 -1.429 1
1 735 . 3 1 1 A 82 82 LEU CB C 82 40.304 42.105 -1.801 1
1 736 . 3 1 1 A 82 82 LEU C C 82 174.567 175.869 -1.302 1
1 737 . 3 1 1 A 82 82 LEU HA H 82 4.875 4.735 0.140 1
1 744 . 3 1 1 A 83 83 GLU H H 83 9.064 8.593 0.471 1
1 745 . 3 1 1 A 83 83 GLU N N 83 125.600 125.146 0.454 1
1 746 . 3 1 1 A 83 83 GLU CA C 83 51.723 54.755 -3.032 1
1 747 . 3 1 1 A 83 83 GLU CB C 83 43.703 31.548 12.155 1
1 748 . 3 1 1 A 83 83 GLU C C 83 174.885 177.280 -2.395 1
1 749 . 3 1 1 A 83 83 GLU HA H 83 4.974 4.621 0.353 1
1 752 . 3 1 1 A 84 84 GLU H H 84 8.806 8.589 0.217 1
1 753 . 3 1 1 A 84 84 GLU N N 84 120.300 120.103 0.197 1
1 754 . 3 1 1 A 84 84 GLU CA C 84 55.553 56.109 -0.556 1
1 755 . 3 1 1 A 84 84 GLU CB C 84 27.117 29.045 -1.928 1
1 756 . 3 1 1 A 84 84 GLU C C 84 174.261 176.493 -2.232 1
1 757 . 3 1 1 A 84 84 GLU HA H 84 4.112 4.248 -0.136 1
1 761 . 3 1 1 A 85 85 ASN H H 85 8.429 7.509 0.920 1
1 762 . 3 1 1 A 85 85 ASN N N 85 114.800 118.049 -3.249 1
1 763 . 3 1 1 A 85 85 ASN CA C 85 51.788 52.820 -1.032 1
1 764 . 3 1 1 A 85 85 ASN CB C 85 35.301 38.372 -3.071 1
1 765 . 3 1 1 A 85 85 ASN C C 85 172.203 173.947 -1.744 1
1 766 . 3 1 1 A 85 85 ASN HA H 85 4.343 4.856 -0.513 1
1 769 . 3 1 1 A 86 86 HIS H H 86 8.081 7.764 0.317 1
1 770 . 3 1 1 A 86 86 HIS N N 86 108.737 114.419 -5.682 1
1 771 . 3 1 1 A 86 86 HIS CA C 86 55.255 57.016 -1.761 1
1 772 . 3 1 1 A 86 86 HIS CB C 86 24.858 26.697 -1.839 1
1 773 . 3 1 1 A 86 86 HIS C C 86 171.039 173.379 -2.340 1
1 774 . 3 1 1 A 86 86 HIS HA H 86 4.260 4.088 0.172 1
1 777 . 3 1 1 A 87 87 TYR H H 87 7.592 6.771 0.821 1
1 778 . 3 1 1 A 87 87 TYR N N 87 117.738 114.030 3.708 1
1 779 . 3 1 1 A 87 87 TYR CA C 87 56.163 56.380 -0.217 1
1 780 . 3 1 1 A 87 87 TYR CB C 87 38.643 40.343 -1.700 1
1 781 . 3 1 1 A 87 87 TYR C C 87 171.983 172.660 -0.677 1
1 782 . 3 1 1 A 87 87 TYR HA H 87 4.836 5.029 -0.193 1
1 784 . 3 1 1 A 88 88 ASN H H 88 9.840 8.908 0.932 1
1 785 . 3 1 1 A 88 88 ASN N N 88 118.891 119.012 -0.121 1
1 786 . 3 1 1 A 88 88 ASN CA C 88 50.063 52.586 -2.523 1
1 787 . 3 1 1 A 88 88 ASN CB C 88 40.242 40.660 -0.418 1
1 788 . 3 1 1 A 88 88 ASN C C 88 172.471 174.601 -2.130 1
1 789 . 3 1 1 A 88 88 ASN HA H 88 5.837 5.342 0.495 1
1 795 . 3 1 1 A 89 89 THR H H 89 8.380 8.635 -0.255 1
1 796 . 3 1 1 A 89 89 THR N N 89 108.521 116.162 -7.641 1
1 797 . 3 1 1 A 89 89 THR CA C 89 57.357 60.180 -2.823 1
1 798 . 3 1 1 A 89 89 THR CB C 89 70.868 72.640 -1.772 1
1 799 . 3 1 1 A 89 89 THR C C 89 170.548 172.244 -1.696 1
1 800 . 3 1 1 A 89 89 THR HA H 89 5.127 5.238 -0.111 1
1 805 . 3 1 1 A 90 90 TYR H H 90 10.247 8.908 1.339 1
1 806 . 3 1 1 A 90 90 TYR N N 90 119.000 121.768 -2.768 1
1 807 . 3 1 1 A 90 90 TYR CA C 90 55.106 56.089 -0.983 1
1 808 . 3 1 1 A 90 90 TYR CB C 90 39.047 42.699 -3.652 1
1 809 . 3 1 1 A 90 90 TYR C C 90 172.442 174.473 -2.031 1
1 810 . 3 1 1 A 90 90 TYR HA H 90 5.472 5.294 0.178 1
1 812 . 3 1 1 A 91 91 ILE H H 91 8.781 9.345 -0.564 1
1 813 . 3 1 1 A 91 91 ILE N N 91 122.546 123.553 -1.007 1
1 814 . 3 1 1 A 91 91 ILE CA C 91 56.346 59.382 -3.036 1
1 815 . 3 1 1 A 91 91 ILE CB C 91 36.627 40.262 -3.635 1
1 816 . 3 1 1 A 91 91 ILE C C 91 172.924 175.079 -2.155 1
1 817 . 3 1 1 A 91 91 ILE HA H 91 4.673 4.682 -0.009 1
1 826 . 3 1 1 A 92 92 SER H H 92 8.191 8.166 0.025 1
1 827 . 3 1 1 A 92 92 SER N N 92 120.200 122.941 -2.741 1
1 828 . 3 1 1 A 92 92 SER CA C 92 55.781 57.087 -1.306 1
1 829 . 3 1 1 A 92 92 SER CB C 92 62.382 62.887 -0.505 1
1 830 . 3 1 1 A 92 92 SER C C 92 172.863 175.848 -2.985 1
1 831 . 3 1 1 A 92 92 SER HA H 92 4.016 4.983 -0.967 1
1 833 . 3 1 1 A 93 93 LYS H H 93 7.993 9.101 -1.108 1
1 834 . 3 1 1 A 93 93 LYS N N 93 130.618 127.152 3.466 1
1 835 . 3 1 1 A 93 93 LYS CA C 93 57.942 58.386 -0.444 1
1 836 . 3 1 1 A 93 93 LYS CB C 93 30.889 32.344 -1.455 1
1 837 . 3 1 1 A 93 93 LYS C C 93 176.938 178.351 -1.413 1
1 838 . 3 1 1 A 93 93 LYS HA H 93 3.779 4.308 -0.529 1
1 844 . 3 1 1 A 94 94 LYS H H 94 8.616 7.933 0.683 1
1 845 . 3 1 1 A 94 94 LYS N N 94 120.044 120.795 -0.751 1
1 846 . 3 1 1 A 94 94 LYS CA C 94 55.868 59.021 -3.153 1
1 847 . 3 1 1 A 94 94 LYS CB C 94 30.329 32.803 -2.474 1
1 848 . 3 1 1 A 94 94 LYS C C 94 174.491 178.055 -3.564 1
1 849 . 3 1 1 A 94 94 LYS HA H 94 3.851 4.108 -0.257 1
1 856 . 3 1 1 A 95 95 HIS H H 95 7.249 7.925 -0.676 1
1 857 . 3 1 1 A 95 95 HIS N N 95 114.486 116.083 -1.597 1
1 858 . 3 1 1 A 95 95 HIS CA C 95 51.180 54.605 -3.425 1
1 859 . 3 1 1 A 95 95 HIS CB C 95 26.844 28.073 -1.229 1
1 860 . 3 1 1 A 95 95 HIS C C 95 173.734 175.828 -2.094 1
1 861 . 3 1 1 A 95 95 HIS HA H 95 4.604 4.671 -0.067 1
1 864 . 3 1 1 A 96 96 ALA H H 96 7.104 7.925 -0.821 1
1 865 . 3 1 1 A 96 96 ALA N N 96 125.204 123.922 1.282 1
1 866 . 3 1 1 A 96 96 ALA CA C 96 53.758 55.440 -1.682 1
1 867 . 3 1 1 A 96 96 ALA CB C 96 16.578 18.373 -1.795 1
1 868 . 3 1 1 A 96 96 ALA C C 96 178.508 179.690 -1.182 1
1 869 . 3 1 1 A 96 96 ALA HA H 96 4.131 4.108 0.023 1
1 873 . 3 1 1 A 97 97 GLU H H 97 8.857 8.082 0.775 1
1 874 . 3 1 1 A 97 97 GLU N N 97 118.007 118.531 -0.524 1
1 875 . 3 1 1 A 97 97 GLU CA C 97 56.153 58.876 -2.723 1
1 876 . 3 1 1 A 97 97 GLU CB C 97 26.241 28.922 -2.681 1
1 877 . 3 1 1 A 97 97 GLU C C 97 174.813 178.269 -3.456 1
1 878 . 3 1 1 A 97 97 GLU HA H 97 4.063 4.042 0.021 1
1 882 . 3 1 1 A 98 98 LYS H H 98 7.116 7.374 -0.258 1
1 883 . 3 1 1 A 98 98 LYS N N 98 116.241 117.756 -1.515 1
1 884 . 3 1 1 A 98 98 LYS CA C 98 52.852 56.117 -3.265 1
1 885 . 3 1 1 A 98 98 LYS CB C 98 29.959 32.489 -2.530 1
1 886 . 3 1 1 A 98 98 LYS C C 98 173.361 176.366 -3.005 1
1 887 . 3 1 1 A 98 98 LYS HA H 98 4.280 4.442 -0.162 1
1 893 . 3 1 1 A 99 99 ASN H H 99 7.842 8.264 -0.422 1
1 894 . 3 1 1 A 99 99 ASN N N 99 113.000 116.250 -3.250 1
1 895 . 3 1 1 A 99 99 ASN CA C 99 52.240 54.549 -2.309 1
1 896 . 3 1 1 A 99 99 ASN CB C 99 35.289 37.857 -2.568 1
1 897 . 3 1 1 A 99 99 ASN C C 99 170.506 174.372 -3.866 1
1 898 . 3 1 1 A 99 99 ASN HA H 99 3.772 4.294 -0.522 1
1 904 . 3 1 1 A 100 100 TRP H H 100 6.369 7.761 -1.392 1
1 905 . 3 1 1 A 100 100 TRP N N 100 116.000 120.673 -4.673 1
1 906 . 3 1 1 A 100 100 TRP CA C 100 53.179 57.536 -4.357 1
1 907 . 3 1 1 A 100 100 TRP CB C 100 28.228 30.335 -2.107 1
1 908 . 3 1 1 A 100 100 TRP C C 100 171.701 175.640 -3.939 1
1 909 . 3 1 1 A 100 100 TRP HA H 100 4.816 4.895 -0.079 1
1 912 . 3 1 1 A 101 101 PHE H H 101 8.026 9.043 -1.017 1
1 913 . 3 1 1 A 101 101 PHE N N 101 124.185 119.384 4.801 1
1 914 . 3 1 1 A 101 101 PHE CA C 101 55.472 56.160 -0.688 1
1 915 . 3 1 1 A 101 101 PHE CB C 101 39.220 42.690 -3.470 1
1 916 . 3 1 1 A 101 101 PHE C C 101 175.044 174.788 0.256 1
1 917 . 3 1 1 A 101 101 PHE HA H 101 5.373 5.110 0.263 1
1 920 . 3 1 1 A 102 102 VAL H H 102 8.499 8.718 -0.219 1
1 921 . 3 1 1 A 102 102 VAL N N 102 120.282 122.843 -2.561 1
1 922 . 3 1 1 A 102 102 VAL CA C 102 60.975 61.159 -0.184 1
1 923 . 3 1 1 A 102 102 VAL CB C 102 30.243 32.245 -2.002 1
1 924 . 3 1 1 A 102 102 VAL C C 102 174.220 175.300 -1.080 1
1 925 . 3 1 1 A 102 102 VAL HA H 102 3.939 5.059 -1.120 1
1 930 . 3 1 1 A 103 103 GLY H H 103 8.996 8.790 0.206 1
1 931 . 3 1 1 A 103 103 GLY N N 103 114.668 115.441 -0.773 1
1 932 . 3 1 1 A 103 103 GLY CA C 103 43.802 44.514 -0.712 1
1 933 . 3 1 1 A 103 103 GLY C C 103 169.388 172.395 -3.007 1
1 934 . 3 1 1 A 103 103 GLY HA2 H 103 5.275 4.361 0.914 1
1 935 . 3 1 1 A 103 103 GLY HA3 H 103 3.180 4.470 -1.290 1
1 936 . 3 1 1 A 104 104 LEU H H 104 8.118 8.593 -0.475 1
1 937 . 3 1 1 A 104 104 LEU N N 104 119.100 120.995 -1.895 1
1 938 . 3 1 1 A 104 104 LEU CA C 104 51.207 52.680 -1.473 1
1 939 . 3 1 1 A 104 104 LEU CB C 104 43.579 45.878 -2.299 1
1 940 . 3 1 1 A 104 104 LEU C C 104 174.252 174.636 -0.384 1
1 941 . 3 1 1 A 104 104 LEU HA H 104 4.959 5.188 -0.229 1
1 950 . 3 1 1 A 105 105 LYS H H 105 8.847 8.265 0.582 1
1 951 . 3 1 1 A 105 105 LYS N N 105 118.900 122.461 -3.561 1
1 952 . 3 1 1 A 105 105 LYS CA C 105 54.035 55.222 -1.187 1
1 953 . 3 1 1 A 105 105 LYS C C 105 176.404 176.645 -0.241 1
1 954 . 3 1 1 A 105 105 LYS HA H 105 4.215 4.420 -0.205 1
1 960 . 3 1 1 A 106 106 LYS H H 106 8.980 8.459 0.521 1
1 961 . 3 1 1 A 106 106 LYS N N 106 122.172 124.503 -2.331 1
1 962 . 3 1 1 A 106 106 LYS CA C 106 57.672 58.459 -0.787 1
1 963 . 3 1 1 A 106 106 LYS CB C 106 29.780 31.780 -2.000 1
1 964 . 3 1 1 A 106 106 LYS C C 106 174.499 178.431 -3.932 1
1 965 . 3 1 1 A 106 106 LYS HA H 106 3.624 4.017 -0.393 1
1 970 . 3 1 1 A 107 107 ASN H H 107 7.352 7.759 -0.407 1
1 971 . 3 1 1 A 107 107 ASN N N 107 112.743 118.463 -5.720 1
1 972 . 3 1 1 A 107 107 ASN CA C 107 49.523 55.179 -5.656 1
1 973 . 3 1 1 A 107 107 ASN CB C 107 35.121 37.961 -2.840 1
1 974 . 3 1 1 A 107 107 ASN C C 107 174.511 176.586 -2.075 1
1 975 . 3 1 1 A 107 107 ASN HA H 107 4.678 4.307 0.371 1
1 978 . 3 1 1 A 108 108 GLY H H 108 7.656 7.768 -0.112 1
1 979 . 3 1 1 A 108 108 GLY N N 108 109.900 107.469 2.431 1
1 980 . 3 1 1 A 108 108 GLY CA C 108 42.207 45.692 -3.485 1
1 981 . 3 1 1 A 108 108 GLY C C 108 169.305 173.771 -4.466 1
1 982 . 3 1 1 A 108 108 GLY HA3 H 108 3.358 4.007 -0.649 1
1 983 . 3 1 1 A 108 108 GLY HA2 H 108 2.111 4.000 -1.889 1
1 984 . 3 1 1 A 109 109 SER H H 109 7.280 7.659 -0.379 1
1 985 . 3 1 1 A 109 109 SER N N 109 112.357 111.687 0.670 1
1 986 . 3 1 1 A 109 109 SER CA C 109 55.139 57.844 -2.705 1
1 987 . 3 1 1 A 109 109 SER CB C 109 62.749 67.263 -4.514 1
1 988 . 3 1 1 A 109 109 SER C C 109 171.244 172.621 -1.377 1
1 989 . 3 1 1 A 109 109 SER HA H 109 4.755 5.035 -0.280 1
1 992 . 3 1 1 A 110 110 CYS H H 110 9.070 9.129 -0.059 1
1 993 . 3 1 1 A 110 110 CYS N N 110 119.883 121.803 -1.920 1
1 994 . 3 1 1 A 110 110 CYS CA C 110 57.858 57.408 0.450 1
1 995 . 3 1 1 A 110 110 CYS CB C 110 37.322 28.427 8.895 1
1 996 . 3 1 1 A 110 110 CYS C C 110 172.131 173.894 -1.763 1
1 997 . 3 1 1 A 110 110 CYS HA H 110 4.296 5.035 -0.739 1
1 1000 . 3 1 1 A 111 111 LYS H H 111 8.095 8.856 -0.761 1
1 1001 . 3 1 1 A 111 111 LYS N N 111 128.642 123.421 5.221 1
1 1002 . 3 1 1 A 111 111 LYS CA C 111 52.117 54.911 -2.794 1
1 1003 . 3 1 1 A 111 111 LYS CB C 111 30.980 34.563 -3.583 1
1 1004 . 3 1 1 A 111 111 LYS C C 111 172.265 175.274 -3.009 1
1 1005 . 3 1 1 A 111 111 LYS HA H 111 4.380 5.249 -0.869 1
1 1010 . 3 1 1 A 112 112 ARG H H 112 8.566 8.776 -0.210 1
1 1011 . 3 1 1 A 112 112 ARG N N 112 124.700 124.511 0.189 1
1 1012 . 3 1 1 A 112 112 ARG CA C 112 54.295 54.539 -0.244 1
1 1013 . 3 1 1 A 112 112 ARG CB C 112 28.927 31.498 -2.571 1
1 1014 . 3 1 1 A 112 112 ARG C C 112 175.240 175.975 -0.735 1
1 1015 . 3 1 1 A 112 112 ARG HA H 112 4.252 4.787 -0.535 1
1 1021 . 3 1 1 A 113 113 GLY H H 113 9.408 8.677 0.731 1
1 1022 . 3 1 1 A 113 113 GLY N N 113 106.636 112.595 -5.959 1
1 1023 . 3 1 1 A 113 113 GLY CA C 113 44.552 46.905 -2.353 1
1 1024 . 3 1 1 A 113 113 GLY C C 113 169.610 174.410 -4.800 1
1 1025 . 3 1 1 A 113 113 GLY HA2 H 113 1.510 3.584 -2.074 1
1 1026 . 3 1 1 A 114 114 PRO CA C 114 62.529 65.019 -2.490 1
1 1027 . 3 1 1 A 114 114 PRO C C 114 174.543 176.808 -2.265 1
1 1028 . 3 1 1 A 114 114 PRO HA H 114 4.321 4.198 0.123 1
1 1033 . 3 1 1 A 115 115 ARG H H 115 8.067 8.085 -0.018 1
1 1034 . 3 1 1 A 115 115 ARG N N 115 114.500 116.860 -2.360 1
1 1035 . 3 1 1 A 115 115 ARG CA C 115 52.011 55.255 -3.244 1
1 1036 . 3 1 1 A 115 115 ARG CB C 115 27.143 30.634 -3.491 1
1 1037 . 3 1 1 A 115 115 ARG C C 115 174.680 175.417 -0.737 1
1 1038 . 3 1 1 A 115 115 ARG HA H 115 4.508 4.447 0.061 1
1 1043 . 3 1 1 A 116 116 THR H H 116 7.643 7.144 0.499 1
1 1044 . 3 1 1 A 116 116 THR N N 116 111.716 112.686 -0.970 1
1 1045 . 3 1 1 A 116 116 THR CA C 116 58.712 61.605 -2.893 1
1 1046 . 3 1 1 A 116 116 THR CB C 116 70.086 69.631 0.455 1
1 1047 . 3 1 1 A 116 116 THR C C 116 172.573 174.014 -1.441 1
1 1048 . 3 1 1 A 116 116 THR HA H 116 5.198 4.375 0.823 1
1 1053 . 3 1 1 A 117 117 HIS H H 117 7.091 8.522 -1.431 1
1 1054 . 3 1 1 A 117 117 HIS N N 117 112.914 121.739 -8.825 1
1 1055 . 3 1 1 A 117 117 HIS CA C 117 53.291 54.628 -1.337 1
1 1056 . 3 1 1 A 117 117 HIS CB C 117 29.133 31.962 -2.829 1
1 1057 . 3 1 1 A 117 117 HIS C C 117 170.344 171.982 -1.638 1
1 1058 . 3 1 1 A 117 117 HIS HA H 117 4.868 3.656 1.212 1
1 1061 . 3 1 1 A 118 118 TYR H H 118 9.020 8.592 0.428 1
1 1062 . 3 1 1 A 118 118 TYR N N 118 123.051 120.258 2.793 1
1 1063 . 3 1 1 A 118 118 TYR CA C 118 58.801 56.574 2.227 1
1 1064 . 3 1 1 A 118 118 TYR CB C 118 29.959 36.944 -6.985 1
1 1065 . 3 1 1 A 118 118 TYR C C 118 174.446 175.873 -1.427 1
1 1066 . 3 1 1 A 118 118 TYR HA H 118 3.897 4.486 -0.589 1
1 1069 . 3 1 1 A 119 119 GLY H H 119 7.999 8.691 -0.692 1
1 1070 . 3 1 1 A 119 119 GLY N N 119 116.885 112.152 4.733 1
1 1071 . 3 1 1 A 119 119 GLY CA C 119 42.599 45.865 -3.266 1
1 1072 . 3 1 1 A 119 119 GLY C C 119 172.439 173.838 -1.399 1
1 1073 . 3 1 1 A 119 119 GLY HA3 H 119 4.385 3.926 0.459 1
1 1074 . 3 1 1 A 119 119 GLY HA2 H 119 3.296 3.891 -0.595 1
1 1075 . 3 1 1 A 120 120 GLN H H 120 7.003 7.557 -0.554 1
1 1076 . 3 1 1 A 120 120 GLN N N 120 118.266 118.080 0.186 1
1 1077 . 3 1 1 A 120 120 GLN CA C 120 52.617 53.841 -1.224 1
1 1078 . 3 1 1 A 120 120 GLN CB C 120 27.324 32.599 -5.275 1
1 1079 . 3 1 1 A 120 120 GLN C C 120 174.995 175.755 -0.760 1
1 1080 . 3 1 1 A 120 120 GLN HA H 120 4.262 4.732 -0.470 1
1 1083 . 3 1 1 A 121 121 LYS H H 121 8.477 8.613 -0.136 1
1 1084 . 3 1 1 A 121 121 LYS N N 121 121.222 123.343 -2.121 1
1 1085 . 3 1 1 A 121 121 LYS CA C 121 56.243 56.843 -0.600 1
1 1086 . 3 1 1 A 121 121 LYS CB C 121 29.598 31.869 -2.271 1
1 1087 . 3 1 1 A 121 121 LYS C C 121 172.702 177.044 -4.342 1
1 1088 . 3 1 1 A 121 121 LYS HA H 121 3.809 4.251 -0.442 1
1 1093 . 3 1 1 A 122 122 ALA H H 122 7.526 7.659 -0.133 1
1 1094 . 3 1 1 A 122 122 ALA N N 122 116.019 122.216 -6.197 1
1 1095 . 3 1 1 A 122 122 ALA CA C 122 52.338 53.544 -1.206 1
1 1096 . 3 1 1 A 122 122 ALA CB C 122 18.675 18.287 0.388 1
1 1097 . 3 1 1 A 122 122 ALA C C 122 172.756 177.292 -4.536 1
1 1098 . 3 1 1 A 122 122 ALA HA H 122 3.947 4.019 -0.072 1
1 1102 . 3 1 1 A 123 123 ILE H H 123 5.794 6.964 -1.170 1
1 1103 . 3 1 1 A 123 123 ILE N N 123 101.200 114.135 -12.935 1
1 1104 . 3 1 1 A 123 123 ILE CA C 123 57.297 60.778 -3.481 1
1 1105 . 3 1 1 A 123 123 ILE CB C 123 35.425 37.519 -2.094 1
1 1106 . 3 1 1 A 123 123 ILE C C 123 172.790 174.884 -2.094 1
1 1107 . 3 1 1 A 123 123 ILE HA H 123 5.184 4.091 1.093 1
1 1116 . 3 1 1 A 124 124 LEU H H 124 6.716 7.074 -0.358 1
1 1117 . 3 1 1 A 124 124 LEU N N 124 121.554 122.864 -1.310 1
1 1118 . 3 1 1 A 124 124 LEU CA C 124 51.686 53.380 -1.694 1
1 1119 . 3 1 1 A 124 124 LEU CB C 124 39.622 41.313 -1.691 1
1 1120 . 3 1 1 A 124 124 LEU C C 124 173.411 175.182 -1.771 1
1 1121 . 3 1 1 A 124 124 LEU HA H 124 4.597 4.232 0.365 1
1 1130 . 3 1 1 A 125 125 PHE H H 125 9.226 9.302 -0.076 1
1 1131 . 3 1 1 A 125 125 PHE N N 125 121.900 124.495 -2.595 1
1 1132 . 3 1 1 A 125 125 PHE CA C 125 54.604 57.103 -2.499 1
1 1133 . 3 1 1 A 125 125 PHE CB C 125 41.692 41.787 -0.095 1
1 1134 . 3 1 1 A 125 125 PHE C C 125 172.768 174.893 -2.125 1
1 1135 . 3 1 1 A 125 125 PHE HA H 125 5.612 5.046 0.566 1
1 1138 . 3 1 1 A 126 126 LEU H H 126 9.932 8.999 0.933 1
1 1139 . 3 1 1 A 126 126 LEU N N 126 125.427 123.970 1.457 1
1 1140 . 3 1 1 A 126 126 LEU CA C 126 48.875 51.382 -2.507 1
1 1141 . 3 1 1 A 127 127 PRO CA C 127 58.907 62.181 -3.274 1
1 1142 . 3 1 1 A 127 127 PRO CB C 127 28.730 31.788 -3.058 1
1 1143 . 3 1 1 A 127 127 PRO C C 127 174.541 175.897 -1.356 1
1 1144 . 3 1 1 A 127 127 PRO HA H 127 5.587 5.282 0.305 1
1 1147 . 3 1 1 A 128 128 LEU H H 128 9.674 8.437 1.237 1
1 1148 . 3 1 1 A 128 128 LEU N N 128 129.196 124.999 4.197 1
1 1149 . 3 1 1 A 128 128 LEU CA C 128 49.523 51.619 -2.096 1
1 1150 . 3 1 1 A 128 128 LEU C C 128 175.960 175.224 0.736 1
1 1151 . 3 1 1 A 129 129 PRO CA C 129 60.043 62.160 -2.117 1
1 1152 . 3 1 1 A 129 129 PRO CB C 129 29.800 32.183 -2.383 1
1 1153 . 3 1 1 A 129 129 PRO C C 129 174.414 176.258 -1.844 1
1 1154 . 3 1 1 A 129 129 PRO HA H 129 4.710 4.893 -0.183 1
1 1160 . 3 1 1 A 130 130 VAL H H 130 7.992 8.870 -0.878 1
1 1161 . 3 1 1 A 130 130 VAL N N 130 118.275 121.077 -2.802 1
1 1162 . 3 1 1 A 130 130 VAL CA C 130 61.494 62.389 -0.895 1
1 1163 . 3 1 1 A 130 130 VAL CB C 130 29.649 32.168 -2.519 1
1 1164 . 3 1 1 A 130 130 VAL C C 130 174.097 176.619 -2.522 1
1 1165 . 3 1 1 A 130 130 VAL HA H 130 3.794 4.181 -0.387 1
1 1173 . 3 1 1 A 131 131 SER H H 131 7.844 8.661 -0.817 1
1 1174 . 3 1 1 A 131 131 SER N N 131 115.853 119.339 -3.486 1
1 1175 . 3 1 1 A 131 131 SER CA C 131 55.233 57.890 -2.657 1
1 1176 . 3 1 1 A 131 131 SER CB C 131 61.375 65.111 -3.736 1
1 1177 . 3 1 1 A 131 131 SER C C 131 173.574 174.245 -0.671 1
1 1178 . 3 1 1 A 131 131 SER HA H 131 4.218 5.032 -0.814 1
1 1181 . 3 1 1 A 132 132 SER H H 132 8.196 8.779 -0.583 1
1 1182 . 3 1 1 A 132 132 SER N N 132 118.100 120.876 -2.776 1
1 1183 . 3 1 1 A 132 132 SER CA C 132 56.021 57.963 -1.942 1
1 1184 . 3 1 1 A 132 132 SER CB C 132 61.848 61.325 0.523 1
1 1185 . 3 1 1 A 132 132 SER C C 132 170.997 172.684 -1.687 1
1 1186 . 3 1 1 A 132 132 SER HA H 132 4.484 4.725 -0.241 1
1 12 . 4 1 1 A 2 2 LYS H H 2 7.955 7.960 -0.005 1
1 13 . 4 1 1 A 2 2 LYS N N 2 120.000 118.054 1.946 1
1 14 . 4 1 1 A 2 2 LYS CA C 2 51.913 54.362 -2.449 1
1 15 . 4 1 1 A 2 2 LYS C C 2 174.300 176.968 -2.668 1
1 16 . 4 1 1 A 2 2 LYS HA H 2 4.270 4.537 -0.267 1
1 18 . 4 1 1 A 3 3 LYS H H 3 7.960 8.651 -0.691 1
1 19 . 4 1 1 A 3 3 LYS N N 3 119.640 122.649 -3.009 1
1 20 . 4 1 1 A 3 3 LYS CA C 3 51.900 58.422 -6.522 1
1 21 . 4 1 1 A 3 3 LYS HA H 3 4.600 4.307 0.293 1
1 24 . 4 1 1 A 4 4 PRO CA C 4 60.687 63.386 -2.699 1
1 25 . 4 1 1 A 4 4 PRO C C 4 172.359 176.889 -4.530 1
1 26 . 4 1 1 A 4 4 PRO CB C 4 30.627 32.241 -1.614 1
1 27 . 4 1 1 A 4 4 PRO HA H 4 4.716 4.439 0.277 1
1 29 . 4 1 1 A 5 5 LYS H H 5 9.357 8.777 0.580 1
1 30 . 4 1 1 A 5 5 LYS N N 5 119.100 122.910 -3.810 1
1 31 . 4 1 1 A 5 5 LYS CA C 5 51.445 55.715 -4.270 1
1 32 . 4 1 1 A 5 5 LYS CB C 5 34.945 33.767 1.178 1
1 33 . 4 1 1 A 5 5 LYS C C 5 171.776 175.722 -3.946 1
1 34 . 4 1 1 A 5 5 LYS HA H 5 5.062 4.670 0.392 1
1 37 . 4 1 1 A 6 6 LEU H H 6 8.944 8.848 0.096 1
1 38 . 4 1 1 A 6 6 LEU N N 6 117.400 123.583 -6.183 1
1 39 . 4 1 1 A 6 6 LEU CA C 6 50.259 53.641 -3.382 1
1 40 . 4 1 1 A 6 6 LEU CB C 6 41.472 44.601 -3.129 1
1 41 . 4 1 1 A 6 6 LEU C C 6 174.676 175.167 -0.491 1
1 42 . 4 1 1 A 6 6 LEU HA H 6 4.984 4.949 0.035 1
1 51 . 4 1 1 A 7 7 LEU H H 7 10.297 8.935 1.362 1
1 52 . 4 1 1 A 7 7 LEU N N 7 125.000 127.242 -2.242 1
1 53 . 4 1 1 A 7 7 LEU CA C 7 53.596 53.388 0.208 1
1 54 . 4 1 1 A 7 7 LEU C C 7 172.290 174.938 -2.648 1
1 55 . 4 1 1 A 7 7 LEU HA H 7 5.083 5.222 -0.139 1
1 65 . 4 1 1 A 8 8 TYR H H 8 8.483 9.029 -0.546 1
1 66 . 4 1 1 A 8 8 TYR N N 8 125.000 125.445 -0.445 1
1 67 . 4 1 1 A 8 8 TYR CA C 8 54.761 55.778 -1.017 1
1 68 . 4 1 1 A 8 8 TYR CB C 8 37.988 40.201 -2.213 1
1 69 . 4 1 1 A 8 8 TYR C C 8 171.270 174.417 -3.147 1
1 70 . 4 1 1 A 8 8 TYR HA H 8 4.592 5.660 -1.068 1
1 73 . 4 1 1 A 9 9 CYS H H 9 9.235 8.856 0.379 1
1 74 . 4 1 1 A 9 9 CYS N N 9 130.104 125.181 4.923 1
1 75 . 4 1 1 A 9 9 CYS CA C 9 55.588 57.580 -1.992 1
1 76 . 4 1 1 A 9 9 CYS CB C 9 26.864 28.098 -1.234 1
1 77 . 4 1 1 A 9 9 CYS C C 9 172.619 172.877 -0.258 1
1 78 . 4 1 1 A 9 9 CYS HA H 9 4.163 4.958 -0.795 1
1 82 . 4 1 1 A 10 10 SER H H 10 8.173 8.741 -0.568 1
1 83 . 4 1 1 A 10 10 SER N N 10 122.600 120.065 2.535 1
1 84 . 4 1 1 A 10 10 SER CA C 10 57.853 56.556 1.297 1
1 85 . 4 1 1 A 10 10 SER CB C 10 61.820 65.760 -3.940 1
1 86 . 4 1 1 A 10 10 SER C C 10 172.210 172.284 -0.074 1
1 87 . 4 1 1 A 10 10 SER HA H 10 3.920 5.136 -1.216 1
1 89 . 4 1 1 A 11 11 ASN H H 11 7.450 8.741 -1.291 1
1 90 . 4 1 1 A 11 11 ASN N N 11 119.550 123.806 -4.256 1
1 91 . 4 1 1 A 11 11 ASN CA C 11 52.430 52.679 -0.249 1
1 92 . 4 1 1 A 11 11 ASN HA H 11 4.360 4.918 -0.558 1
1 94 . 4 1 1 A 12 12 GLY C C 12 171.806 172.567 -0.761 1
1 95 . 4 1 1 A 12 12 GLY CA C 12 41.915 46.077 -4.162 1
1 96 . 4 1 1 A 12 12 GLY HA3 H 12 3.927 4.271 -0.344 1
1 97 . 4 1 1 A 12 12 GLY H H 12 7.096 8.251 -1.155 1
1 98 . 4 1 1 A 12 12 GLY N N 12 109.300 112.748 -3.448 1
1 99 . 4 1 1 A 13 13 GLY H H 13 7.096 7.904 -0.808 1
1 100 . 4 1 1 A 13 13 GLY N N 13 109.300 110.452 -1.152 1
1 101 . 4 1 1 A 13 13 GLY CA C 13 44.272 45.590 -1.318 1
1 102 . 4 1 1 A 13 13 GLY C C 13 170.445 172.428 -1.983 1
1 103 . 4 1 1 A 13 13 GLY HA2 H 13 3.598 4.235 -0.637 1
1 104 . 4 1 1 A 13 13 GLY HA3 H 13 3.204 4.265 -1.061 1
1 105 . 4 1 1 A 14 14 HIS H H 14 6.302 9.052 -2.750 1
1 106 . 4 1 1 A 14 14 HIS N N 14 113.600 122.830 -9.230 1
1 107 . 4 1 1 A 14 14 HIS CA C 14 54.319 54.383 -0.064 1
1 108 . 4 1 1 A 14 14 HIS CB C 14 31.792 34.207 -2.415 1
1 109 . 4 1 1 A 14 14 HIS C C 14 171.281 174.005 -2.724 1
1 110 . 4 1 1 A 14 14 HIS HA H 14 4.104 4.762 -0.658 1
1 113 . 4 1 1 A 15 15 PHE H H 15 9.298 8.866 0.432 1
1 114 . 4 1 1 A 15 15 PHE N N 15 120.700 117.837 2.863 1
1 115 . 4 1 1 A 15 15 PHE CA C 15 54.273 56.197 -1.924 1
1 116 . 4 1 1 A 15 15 PHE CB C 15 37.632 42.510 -4.878 1
1 117 . 4 1 1 A 15 15 PHE C C 15 173.938 174.548 -0.610 1
1 118 . 4 1 1 A 15 15 PHE HA H 15 5.390 5.066 0.324 1
1 121 . 4 1 1 A 16 16 LEU H H 16 8.480 8.823 -0.343 1
1 122 . 4 1 1 A 16 16 LEU N N 16 124.700 126.678 -1.978 1
1 123 . 4 1 1 A 16 16 LEU CA C 16 54.440 54.735 -0.295 1
1 124 . 4 1 1 A 16 16 LEU C C 16 171.758 175.870 -4.112 1
1 125 . 4 1 1 A 16 16 LEU CB C 16 41.301 43.451 -2.150 1
1 126 . 4 1 1 A 16 16 LEU HA H 16 4.394 5.588 -1.194 1
1 129 . 4 1 1 A 17 17 ARG H H 17 9.339 9.355 -0.016 1
1 130 . 4 1 1 A 17 17 ARG N N 17 126.971 123.726 3.245 1
1 131 . 4 1 1 A 17 17 ARG CA C 17 53.301 54.315 -1.014 1
1 132 . 4 1 1 A 17 17 ARG CB C 17 32.620 34.090 -1.470 1
1 133 . 4 1 1 A 17 17 ARG C C 17 171.302 175.040 -3.738 1
1 134 . 4 1 1 A 17 17 ARG HA H 17 4.715 5.119 -0.404 1
1 141 . 4 1 1 A 18 18 ILE H H 18 6.989 8.749 -1.760 1
1 142 . 4 1 1 A 18 18 ILE N N 18 120.966 120.958 0.008 1
1 143 . 4 1 1 A 18 18 ILE CA C 18 57.903 59.504 -1.601 1
1 144 . 4 1 1 A 18 18 ILE C C 18 173.747 175.457 -1.710 1
1 145 . 4 1 1 A 18 18 ILE HA H 18 4.563 4.948 -0.385 1
1 150 . 4 1 1 A 19 19 LEU H H 19 8.940 8.705 0.235 1
1 151 . 4 1 1 A 19 19 LEU N N 19 128.097 121.479 6.618 1
1 152 . 4 1 1 A 19 19 LEU CA C 19 51.419 51.166 0.253 1
1 153 . 4 1 1 A 20 20 PRO CA C 20 62.710 63.932 -1.222 1
1 154 . 4 1 1 A 20 20 PRO CB C 20 29.518 31.867 -2.349 1
1 155 . 4 1 1 A 20 20 PRO C C 20 173.966 177.253 -3.287 1
1 156 . 4 1 1 A 20 20 PRO HA H 20 4.319 4.528 -0.209 1
1 161 . 4 1 1 A 21 21 ASP H H 21 7.415 7.860 -0.445 1
1 162 . 4 1 1 A 21 21 ASP N N 21 114.000 118.439 -4.439 1
1 163 . 4 1 1 A 21 21 ASP CA C 21 51.361 54.480 -3.119 1
1 164 . 4 1 1 A 21 21 ASP CB C 21 37.419 41.456 -4.037 1
1 165 . 4 1 1 A 21 21 ASP C C 21 174.570 176.429 -1.859 1
1 166 . 4 1 1 A 21 21 ASP HA H 21 4.513 4.729 -0.216 1
1 169 . 4 1 1 A 22 22 GLY H H 22 8.404 8.637 -0.233 1
1 170 . 4 1 1 A 22 22 GLY N N 22 109.100 107.885 1.215 1
1 171 . 4 1 1 A 22 22 GLY CA C 22 43.166 46.463 -3.297 1
1 172 . 4 1 1 A 22 22 GLY C C 22 172.565 174.471 -1.906 1
1 173 . 4 1 1 A 22 22 GLY HA3 H 22 4.632 4.127 0.505 1
1 174 . 4 1 1 A 22 22 GLY HA2 H 22 3.838 4.088 -0.250 1
1 175 . 4 1 1 A 23 23 THR H H 23 7.894 7.734 0.160 1
1 176 . 4 1 1 A 23 23 THR N N 23 116.800 114.721 2.079 1
1 177 . 4 1 1 A 23 23 THR CA C 23 61.304 61.276 0.028 1
1 178 . 4 1 1 A 23 23 THR CB C 23 67.455 71.020 -3.565 1
1 179 . 4 1 1 A 23 23 THR C C 23 170.170 172.860 -2.690 1
1 180 . 4 1 1 A 23 23 THR HA H 23 4.489 4.816 -0.327 1
1 185 . 4 1 1 A 24 24 VAL H H 24 7.792 9.105 -1.313 1
1 186 . 4 1 1 A 24 24 VAL N N 24 123.100 127.109 -4.009 1
1 187 . 4 1 1 A 24 24 VAL CA C 24 58.203 60.860 -2.657 1
1 188 . 4 1 1 A 24 24 VAL CB C 24 31.847 33.509 -1.662 1
1 189 . 4 1 1 A 24 24 VAL C C 24 171.629 174.884 -3.255 1
1 190 . 4 1 1 A 24 24 VAL HA H 24 5.084 4.827 0.257 1
1 195 . 4 1 1 A 25 25 ASP H H 25 8.906 8.541 0.365 1
1 196 . 4 1 1 A 25 25 ASP N N 25 131.200 126.762 4.438 1
1 197 . 4 1 1 A 25 25 ASP CA C 25 50.847 52.345 -1.498 1
1 198 . 4 1 1 A 25 25 ASP CB C 25 38.730 44.828 -6.098 1
1 199 . 4 1 1 A 25 25 ASP C C 25 170.281 174.334 -4.053 1
1 200 . 4 1 1 A 25 25 ASP HA H 25 4.313 5.404 -1.091 1
1 203 . 4 1 1 A 26 26 GLY H H 26 7.891 8.599 -0.708 1
1 204 . 4 1 1 A 26 26 GLY N N 26 102.500 107.564 -5.064 1
1 205 . 4 1 1 A 26 26 GLY CA C 26 42.057 44.533 -2.476 1
1 206 . 4 1 1 A 26 26 GLY C C 26 169.975 172.714 -2.739 1
1 207 . 4 1 1 A 26 26 GLY HA3 H 26 5.529 4.345 1.184 1
1 208 . 4 1 1 A 26 26 GLY HA2 H 26 3.015 4.314 -1.299 1
1 209 . 4 1 1 A 27 27 THR H H 27 8.529 9.405 -0.876 1
1 210 . 4 1 1 A 27 27 THR N N 27 112.700 118.284 -5.584 1
1 211 . 4 1 1 A 27 27 THR CA C 27 56.740 60.967 -4.227 1
1 212 . 4 1 1 A 27 27 THR CB C 27 67.326 72.525 -5.199 1
1 213 . 4 1 1 A 27 27 THR C C 27 170.554 172.267 -1.713 1
1 214 . 4 1 1 A 27 27 THR HA H 27 5.189 4.528 0.661 1
1 219 . 4 1 1 A 28 28 ARG H H 28 8.993 8.383 0.610 1
1 220 . 4 1 1 A 28 28 ARG N N 28 127.500 126.549 0.951 1
1 221 . 4 1 1 A 28 28 ARG CA C 28 54.938 55.330 -0.392 1
1 222 . 4 1 1 A 28 28 ARG CB C 28 37.260 30.863 6.397 1
1 223 . 4 1 1 A 28 28 ARG C C 28 173.450 174.735 -1.285 1
1 224 . 4 1 1 A 28 28 ARG HA H 28 4.691 4.392 0.299 1
1 227 . 4 1 1 A 29 29 ASP H H 29 8.323 8.438 -0.115 1
1 228 . 4 1 1 A 29 29 ASP N N 29 121.000 127.112 -6.112 1
1 229 . 4 1 1 A 29 29 ASP CA C 29 50.779 53.119 -2.340 1
1 230 . 4 1 1 A 29 29 ASP C C 29 172.275 175.787 -3.512 1
1 231 . 4 1 1 A 29 29 ASP HA H 29 4.661 5.290 -0.629 1
1 234 . 4 1 1 A 30 30 ARG H H 30 8.342 8.895 -0.553 1
1 235 . 4 1 1 A 30 30 ARG N N 30 126.100 126.790 -0.690 1
1 236 . 4 1 1 A 30 30 ARG CA C 30 54.924 56.973 -2.049 1
1 237 . 4 1 1 A 30 30 ARG CB C 30 28.367 31.051 -2.684 1
1 238 . 4 1 1 A 30 30 ARG C C 30 173.454 177.572 -4.118 1
1 239 . 4 1 1 A 30 30 ARG HA H 30 3.592 4.374 -0.782 1
1 243 . 4 1 1 A 31 31 SER H H 31 8.379 7.988 0.391 1
1 244 . 4 1 1 A 31 31 SER N N 31 113.600 113.439 0.161 1
1 245 . 4 1 1 A 31 31 SER CA C 31 55.918 60.065 -4.147 1
1 246 . 4 1 1 A 31 31 SER CB C 31 61.807 63.730 -1.923 1
1 247 . 4 1 1 A 31 31 SER C C 31 171.758 173.871 -2.113 1
1 248 . 4 1 1 A 31 31 SER HA H 31 4.397 4.471 -0.074 1
1 251 . 4 1 1 A 32 32 ASP H H 32 7.105 7.663 -0.558 1
1 252 . 4 1 1 A 32 32 ASP N N 32 125.000 122.057 2.943 1
1 253 . 4 1 1 A 32 32 ASP CA C 32 53.116 52.968 0.148 1
1 254 . 4 1 1 A 32 32 ASP CB C 32 41.585 42.988 -1.403 1
1 255 . 4 1 1 A 32 32 ASP C C 32 174.497 176.698 -2.201 1
1 256 . 4 1 1 A 32 32 ASP HA H 32 4.276 4.718 -0.442 1
1 259 . 4 1 1 A 33 33 GLN H H 33 8.775 8.398 0.377 1
1 260 . 4 1 1 A 33 33 GLN N N 33 124.700 121.349 3.351 1
1 261 . 4 1 1 A 33 33 GLN CA C 33 55.127 55.271 -0.144 1
1 262 . 4 1 1 A 33 33 GLN CB C 33 26.601 28.890 -2.289 1
1 263 . 4 1 1 A 33 33 GLN C C 33 174.900 176.398 -1.498 1
1 264 . 4 1 1 A 33 33 GLN HA H 33 4.061 4.601 -0.540 1
1 271 . 4 1 1 A 34 34 HIS H H 34 9.681 7.724 1.957 1
1 272 . 4 1 1 A 34 34 HIS N N 34 116.700 117.580 -0.880 1
1 273 . 4 1 1 A 34 34 HIS CA C 34 55.739 55.265 0.474 1
1 274 . 4 1 1 A 34 34 HIS CB C 34 26.065 30.799 -4.734 1
1 275 . 4 1 1 A 34 34 HIS C C 34 172.307 175.656 -3.349 1
1 276 . 4 1 1 A 34 34 HIS HA H 34 4.885 5.005 -0.120 1
1 279 . 4 1 1 A 35 35 ILE H H 35 6.711 7.709 -0.998 1
1 280 . 4 1 1 A 35 35 ILE N N 35 108.600 111.873 -3.273 1
1 281 . 4 1 1 A 35 35 ILE CA C 35 58.395 60.751 -2.356 1
1 282 . 4 1 1 A 35 35 ILE CB C 35 35.989 37.255 -1.266 1
1 283 . 4 1 1 A 35 35 ILE C C 35 172.249 175.698 -3.449 1
1 284 . 4 1 1 A 35 35 ILE HA H 35 5.114 4.575 0.539 1
1 293 . 4 1 1 A 36 36 GLN H H 36 7.148 7.957 -0.809 1
1 294 . 4 1 1 A 36 36 GLN N N 36 120.018 120.488 -0.470 1
1 295 . 4 1 1 A 36 36 GLN CA C 36 55.111 54.738 0.373 1
1 296 . 4 1 1 A 36 36 GLN CB C 36 25.190 30.093 -4.903 1
1 297 . 4 1 1 A 36 36 GLN C C 36 172.952 174.823 -1.871 1
1 298 . 4 1 1 A 36 36 GLN HA H 36 4.261 4.968 -0.707 1
1 305 . 4 1 1 A 37 37 LEU H H 37 9.110 8.872 0.238 1
1 306 . 4 1 1 A 37 37 LEU N N 37 127.600 123.365 4.235 1
1 307 . 4 1 1 A 37 37 LEU CA C 37 51.329 52.721 -1.392 1
1 308 . 4 1 1 A 37 37 LEU CB C 37 42.165 44.723 -2.558 1
1 309 . 4 1 1 A 37 37 LEU C C 37 172.877 175.728 -2.851 1
1 310 . 4 1 1 A 37 37 LEU HA H 37 5.315 5.201 0.114 1
1 319 . 4 1 1 A 38 38 GLN H H 38 9.556 9.079 0.477 1
1 320 . 4 1 1 A 38 38 GLN N N 38 120.583 120.045 0.538 1
1 321 . 4 1 1 A 38 38 GLN CA C 38 51.810 54.996 -3.186 1
1 322 . 4 1 1 A 38 38 GLN CB C 38 29.259 29.586 -0.327 1
1 323 . 4 1 1 A 38 38 GLN C C 38 172.676 174.495 -1.819 1
1 324 . 4 1 1 A 38 38 GLN HA H 38 4.623 4.801 -0.178 1
1 328 . 4 1 1 A 39 39 LEU H H 39 8.926 9.103 -0.177 1
1 329 . 4 1 1 A 39 39 LEU N N 39 131.700 127.562 4.138 1
1 330 . 4 1 1 A 39 39 LEU CA C 39 53.062 53.772 -0.710 1
1 331 . 4 1 1 A 39 39 LEU C C 39 174.601 175.053 -0.452 1
1 332 . 4 1 1 A 39 39 LEU HA H 39 5.506 5.297 0.209 1
1 341 . 4 1 1 A 40 40 SER H H 40 8.569 8.761 -0.192 1
1 342 . 4 1 1 A 40 40 SER N N 40 115.900 124.474 -8.574 1
1 343 . 4 1 1 A 40 40 SER CA C 40 54.925 57.432 -2.507 1
1 344 . 4 1 1 A 40 40 SER CB C 40 46.694 66.360 -19.666 1
1 345 . 4 1 1 A 40 40 SER C C 40 170.046 172.930 -2.884 1
1 346 . 4 1 1 A 40 40 SER HA H 40 4.676 5.243 -0.567 1
1 349 . 4 1 1 A 41 41 ALA H H 41 8.357 8.575 -0.218 1
1 350 . 4 1 1 A 41 41 ALA N N 41 125.900 124.794 1.106 1
1 351 . 4 1 1 A 41 41 ALA CA C 41 49.309 50.638 -1.329 1
1 352 . 4 1 1 A 41 41 ALA CB C 41 27.376 20.040 7.336 1
1 353 . 4 1 1 A 41 41 ALA C C 41 175.352 177.175 -1.823 1
1 354 . 4 1 1 A 41 41 ALA HA H 41 5.016 4.919 0.097 1
1 358 . 4 1 1 A 42 42 GLU H H 42 8.485 8.755 -0.270 1
1 359 . 4 1 1 A 42 42 GLU N N 42 125.400 126.483 -1.083 1
1 360 . 4 1 1 A 42 42 GLU CA C 42 54.611 57.481 -2.870 1
1 361 . 4 1 1 A 42 42 GLU CB C 42 28.181 31.463 -3.282 1
1 362 . 4 1 1 A 42 42 GLU C C 42 174.014 175.860 -1.846 1
1 363 . 4 1 1 A 42 42 GLU HA H 42 4.444 4.439 0.005 1
1 368 . 4 1 1 A 43 43 SER H H 43 8.020 7.943 0.077 1
1 369 . 4 1 1 A 43 43 SER N N 43 113.900 114.978 -1.078 1
1 370 . 4 1 1 A 43 43 SER CA C 43 55.014 57.323 -2.309 1
1 371 . 4 1 1 A 43 43 SER CB C 43 61.687 65.703 -4.016 1
1 372 . 4 1 1 A 43 43 SER C C 43 171.119 173.510 -2.391 1
1 373 . 4 1 1 A 43 43 SER HA H 43 4.516 4.823 -0.307 1
1 376 . 4 1 1 A 44 44 VAL H H 44 8.113 8.425 -0.312 1
1 377 . 4 1 1 A 44 44 VAL N N 44 121.100 121.185 -0.085 1
1 378 . 4 1 1 A 44 44 VAL CA C 44 62.838 63.685 -0.847 1
1 379 . 4 1 1 A 44 44 VAL CB C 44 28.991 31.284 -2.293 1
1 380 . 4 1 1 A 44 44 VAL C C 44 175.533 176.464 -0.931 1
1 381 . 4 1 1 A 44 44 VAL HA H 44 3.868 3.939 -0.071 1
1 389 . 4 1 1 A 45 45 GLY H H 45 8.807 8.923 -0.116 1
1 390 . 4 1 1 A 45 45 GLY N N 45 115.545 115.086 0.459 1
1 391 . 4 1 1 A 45 45 GLY CA C 45 43.553 44.972 -1.419 1
1 392 . 4 1 1 A 45 45 GLY C C 45 170.948 174.269 -3.321 1
1 393 . 4 1 1 A 45 45 GLY HA3 H 45 4.296 4.031 0.265 1
1 394 . 4 1 1 A 45 45 GLY HA2 H 45 3.995 4.024 -0.029 1
1 395 . 4 1 1 A 46 46 GLU H H 46 7.985 7.707 0.278 1
1 396 . 4 1 1 A 46 46 GLU N N 46 121.200 120.327 0.873 1
1 397 . 4 1 1 A 46 46 GLU CA C 46 52.751 55.666 -2.915 1
1 398 . 4 1 1 A 46 46 GLU CB C 46 29.432 31.101 -1.669 1
1 399 . 4 1 1 A 46 46 GLU C C 46 173.583 175.245 -1.662 1
1 400 . 4 1 1 A 46 46 GLU HA H 46 5.442 4.713 0.729 1
1 405 . 4 1 1 A 47 47 VAL H H 47 9.560 9.128 0.432 1
1 406 . 4 1 1 A 47 47 VAL N N 47 116.400 118.429 -2.029 1
1 407 . 4 1 1 A 47 47 VAL CA C 47 56.846 59.790 -2.944 1
1 408 . 4 1 1 A 47 47 VAL CB C 47 33.714 34.434 -0.720 1
1 409 . 4 1 1 A 47 47 VAL C C 47 172.960 173.532 -0.572 1
1 410 . 4 1 1 A 47 47 VAL HA H 47 5.505 5.190 0.315 1
1 418 . 4 1 1 A 48 48 TYR H H 48 8.415 9.474 -1.059 1
1 419 . 4 1 1 A 48 48 TYR N N 48 117.400 123.621 -6.221 1
1 420 . 4 1 1 A 48 48 TYR CA C 48 54.331 55.817 -1.486 1
1 421 . 4 1 1 A 48 48 TYR CB C 48 39.296 41.196 -1.900 1
1 422 . 4 1 1 A 48 48 TYR C C 48 173.423 174.421 -0.998 1
1 423 . 4 1 1 A 48 48 TYR HA H 48 5.290 5.359 -0.069 1
1 426 . 4 1 1 A 49 49 ILE H H 49 10.532 8.936 1.596 1
1 427 . 4 1 1 A 49 49 ILE N N 49 123.100 125.805 -2.705 1
1 428 . 4 1 1 A 49 49 ILE CA C 49 59.573 60.379 -0.806 1
1 429 . 4 1 1 A 49 49 ILE CB C 49 40.504 37.763 2.741 1
1 430 . 4 1 1 A 49 49 ILE C C 49 170.853 175.489 -4.636 1
1 431 . 4 1 1 A 49 49 ILE HA H 49 4.341 4.723 -0.382 1
1 438 . 4 1 1 A 50 50 LYS H H 50 8.511 8.710 -0.199 1
1 439 . 4 1 1 A 50 50 LYS N N 50 125.800 127.477 -1.677 1
1 440 . 4 1 1 A 50 50 LYS CA C 50 51.179 54.403 -3.224 1
1 441 . 4 1 1 A 50 50 LYS CB C 50 34.816 35.446 -0.630 1
1 442 . 4 1 1 A 50 50 LYS C C 50 173.759 176.052 -2.293 1
1 443 . 4 1 1 A 50 50 LYS HA H 50 4.991 4.948 0.043 1
1 451 . 4 1 1 A 51 51 SER H H 51 8.920 9.062 -0.142 1
1 452 . 4 1 1 A 51 51 SER N N 51 117.579 119.980 -2.401 1
1 453 . 4 1 1 A 51 51 SER CA C 51 55.043 59.366 -4.323 1
1 454 . 4 1 1 A 51 51 SER CB C 51 61.065 63.722 -2.657 1
1 455 . 4 1 1 A 51 51 SER C C 51 175.084 174.269 0.815 1
1 456 . 4 1 1 A 51 51 SER HA H 51 4.666 4.576 0.090 1
1 459 . 4 1 1 A 52 52 THR H H 52 8.342 8.288 0.054 1
1 460 . 4 1 1 A 52 52 THR N N 52 123.200 119.504 3.696 1
1 461 . 4 1 1 A 52 52 THR CA C 52 62.792 64.731 -1.939 1
1 462 . 4 1 1 A 52 52 THR CB C 52 65.611 68.958 -3.347 1
1 463 . 4 1 1 A 52 52 THR C C 52 173.566 176.536 -2.970 1
1 464 . 4 1 1 A 52 52 THR HA H 52 3.996 4.019 -0.023 1
1 469 . 4 1 1 A 53 53 GLU H H 53 8.312 7.966 0.346 1
1 470 . 4 1 1 A 53 53 GLU N N 53 122.000 120.714 1.286 1
1 471 . 4 1 1 A 53 53 GLU CA C 53 55.889 58.165 -2.276 1
1 472 . 4 1 1 A 53 53 GLU CB C 53 28.359 30.475 -2.116 1
1 473 . 4 1 1 A 53 53 GLU C C 53 175.327 177.748 -2.421 1
1 474 . 4 1 1 A 53 53 GLU HA H 53 4.311 4.183 0.128 1
1 477 . 4 1 1 A 54 54 THR H H 54 7.724 7.699 0.025 1
1 478 . 4 1 1 A 54 54 THR N N 54 103.100 110.380 -7.280 1
1 479 . 4 1 1 A 54 54 THR CA C 54 58.555 61.361 -2.806 1
1 480 . 4 1 1 A 54 54 THR CB C 54 69.030 69.149 -0.119 1
1 481 . 4 1 1 A 54 54 THR C C 54 173.942 175.749 -1.807 1
1 482 . 4 1 1 A 54 54 THR HA H 54 4.681 4.668 0.013 1
1 487 . 4 1 1 A 55 55 GLY H H 55 7.643 8.219 -0.576 1
1 488 . 4 1 1 A 55 55 GLY N N 55 110.700 111.010 -0.310 1
1 489 . 4 1 1 A 55 55 GLY CA C 55 43.594 45.827 -2.233 1
1 490 . 4 1 1 A 55 55 GLY HA3 H 55 4.150 4.006 0.144 1
1 491 . 4 1 1 A 55 55 GLY HA2 H 55 3.591 3.990 -0.399 1
1 492 . 4 1 1 A 55 55 GLY C C 55 170.694 174.259 -3.565 1
1 493 . 4 1 1 A 56 56 GLN H H 56 7.211 7.947 -0.736 1
1 494 . 4 1 1 A 56 56 GLN N N 56 115.700 117.241 -1.541 1
1 495 . 4 1 1 A 56 56 GLN CA C 56 53.898 55.829 -1.931 1
1 496 . 4 1 1 A 56 56 GLN CB C 56 30.456 32.413 -1.957 1
1 497 . 4 1 1 A 56 56 GLN C C 56 172.141 173.051 -0.910 1
1 498 . 4 1 1 A 56 56 GLN HA H 56 4.311 4.713 -0.402 1
1 504 . 4 1 1 A 57 57 TYR H H 57 9.254 9.006 0.248 1
1 505 . 4 1 1 A 57 57 TYR N N 57 119.400 128.043 -8.643 1
1 506 . 4 1 1 A 57 57 TYR CA C 57 53.356 56.125 -2.769 1
1 507 . 4 1 1 A 57 57 TYR CB C 57 40.466 38.347 2.119 1
1 508 . 4 1 1 A 57 57 TYR C C 57 173.320 174.051 -0.731 1
1 509 . 4 1 1 A 57 57 TYR HA H 57 4.128 6.101 -1.973 1
1 512 . 4 1 1 A 58 58 LEU H H 58 9.126 8.462 0.664 1
1 513 . 4 1 1 A 58 58 LEU N N 58 123.600 127.756 -4.156 1
1 514 . 4 1 1 A 58 58 LEU CA C 58 53.256 54.670 -1.414 1
1 515 . 4 1 1 A 58 58 LEU CB C 58 40.466 42.009 -1.543 1
1 516 . 4 1 1 A 58 58 LEU C C 58 172.320 174.822 -2.502 1
1 517 . 4 1 1 A 58 58 LEU HA H 58 4.128 4.503 -0.375 1
1 524 . 4 1 1 A 59 59 ALA H H 59 8.656 8.254 0.402 1
1 525 . 4 1 1 A 59 59 ALA N N 59 126.947 129.734 -2.787 1
1 526 . 4 1 1 A 59 59 ALA CA C 59 48.450 50.086 -1.636 1
1 527 . 4 1 1 A 59 59 ALA CB C 59 21.261 19.743 1.518 1
1 528 . 4 1 1 A 59 59 ALA C C 59 172.722 175.739 -3.017 1
1 529 . 4 1 1 A 59 59 ALA HA H 59 5.124 4.774 0.350 1
1 533 . 4 1 1 A 60 60 MET H H 60 7.521 8.696 -1.175 1
1 534 . 4 1 1 A 60 60 MET N N 60 116.602 122.886 -6.284 1
1 535 . 4 1 1 A 60 60 MET CA C 60 52.251 54.411 -2.160 1
1 536 . 4 1 1 A 60 60 MET CB C 60 35.046 33.174 1.872 1
1 537 . 4 1 1 A 60 60 MET C C 60 173.753 174.430 -0.677 1
1 538 . 4 1 1 A 60 60 MET HA H 60 5.527 4.783 0.744 1
1 543 . 4 1 1 A 61 61 ASP H H 61 9.159 8.498 0.661 1
1 544 . 4 1 1 A 61 61 ASP N N 61 128.445 126.215 2.230 1
1 545 . 4 1 1 A 61 61 ASP CA C 61 51.480 52.640 -1.160 1
1 546 . 4 1 1 A 61 61 ASP CB C 61 39.346 42.084 -2.738 1
1 547 . 4 1 1 A 61 61 ASP C C 61 175.800 176.430 -0.630 1
1 548 . 4 1 1 A 61 61 ASP HA H 61 5.046 4.907 0.139 1
1 551 . 4 1 1 A 62 62 THR H H 62 7.972 8.937 -0.965 1
1 552 . 4 1 1 A 62 62 THR N N 62 107.806 120.708 -12.902 1
1 553 . 4 1 1 A 62 62 THR CA C 62 62.626 64.035 -1.409 1
1 554 . 4 1 1 A 62 62 THR CB C 62 66.955 67.409 -0.454 1
1 555 . 4 1 1 A 62 62 THR C C 62 172.355 173.355 -1.000 1
1 556 . 4 1 1 A 62 62 THR HA H 62 4.134 4.251 -0.117 1
1 561 . 4 1 1 A 63 63 ASP H H 63 8.333 9.078 -0.745 1
1 562 . 4 1 1 A 63 63 ASP N N 63 119.831 120.815 -0.984 1
1 563 . 4 1 1 A 63 63 ASP CA C 63 51.865 54.015 -2.150 1
1 564 . 4 1 1 A 63 63 ASP CB C 63 39.182 42.013 -2.831 1
1 565 . 4 1 1 A 63 63 ASP C C 63 174.438 177.657 -3.219 1
1 566 . 4 1 1 A 63 63 ASP HA H 63 4.964 5.085 -0.121 1
1 569 . 4 1 1 A 64 64 GLY H H 64 8.264 8.272 -0.008 1
1 570 . 4 1 1 A 64 64 GLY N N 64 109.142 108.411 0.731 1
1 571 . 4 1 1 A 64 64 GLY CA C 64 42.923 46.189 -3.266 1
1 572 . 4 1 1 A 64 64 GLY C C 64 171.248 173.870 -2.622 1
1 573 . 4 1 1 A 64 64 GLY HA3 H 64 3.652 4.080 -0.428 1
1 574 . 4 1 1 A 64 64 GLY HA2 H 64 3.397 4.014 -0.617 1
1 575 . 4 1 1 A 65 65 LEU H H 65 8.636 7.958 0.678 1
1 576 . 4 1 1 A 65 65 LEU N N 65 123.137 121.226 1.911 1
1 577 . 4 1 1 A 65 65 LEU CA C 65 52.224 53.844 -1.620 1
1 578 . 4 1 1 A 65 65 LEU CB C 65 40.557 45.314 -4.757 1
1 579 . 4 1 1 A 65 65 LEU C C 65 174.507 174.706 -0.199 1
1 580 . 4 1 1 A 65 65 LEU HA H 65 4.529 4.974 -0.445 1
1 590 . 4 1 1 A 66 66 LEU H H 66 7.431 8.758 -1.327 1
1 591 . 4 1 1 A 66 66 LEU N N 66 124.493 124.430 0.063 1
1 592 . 4 1 1 A 66 66 LEU CA C 66 51.635 53.749 -2.114 1
1 593 . 4 1 1 A 66 66 LEU CB C 66 40.474 44.050 -3.576 1
1 594 . 4 1 1 A 66 66 LEU C C 66 174.070 175.811 -1.741 1
1 595 . 4 1 1 A 66 66 LEU HA H 66 5.714 5.335 0.379 1
1 605 . 4 1 1 A 67 67 TYR H H 67 9.237 8.698 0.539 1
1 606 . 4 1 1 A 67 67 TYR N N 67 120.360 118.611 1.749 1
1 607 . 4 1 1 A 67 67 TYR CA C 67 54.076 55.123 -1.047 1
1 608 . 4 1 1 A 67 67 TYR CB C 67 38.903 42.282 -3.379 1
1 609 . 4 1 1 A 67 67 TYR C C 67 169.640 173.877 -4.237 1
1 610 . 4 1 1 A 67 67 TYR HA H 67 5.023 5.814 -0.791 1
1 612 . 4 1 1 A 68 68 GLY H H 68 8.928 8.444 0.484 1
1 613 . 4 1 1 A 68 68 GLY N N 68 105.646 106.630 -0.984 1
1 614 . 4 1 1 A 68 68 GLY CA C 68 41.569 45.681 -4.112 1
1 615 . 4 1 1 A 68 68 GLY C C 68 170.551 173.526 -2.975 1
1 616 . 4 1 1 A 68 68 GLY HA2 H 68 4.676 4.196 0.480 1
1 617 . 4 1 1 A 69 69 SER H H 69 9.608 9.274 0.334 1
1 618 . 4 1 1 A 69 69 SER N N 69 120.100 115.164 4.936 1
1 619 . 4 1 1 A 69 69 SER CA C 69 53.737 59.662 -5.925 1
1 620 . 4 1 1 A 69 69 SER CB C 69 63.042 65.978 -2.936 1
1 621 . 4 1 1 A 69 69 SER C C 69 174.219 175.229 -1.010 1
1 622 . 4 1 1 A 69 69 SER HA H 69 4.966 4.850 0.116 1
1 625 . 4 1 1 A 70 70 GLN H H 70 9.343 8.476 0.867 1
1 626 . 4 1 1 A 70 70 GLN N N 70 127.339 118.821 8.518 1
1 627 . 4 1 1 A 70 70 GLN CA C 70 56.139 57.773 -1.634 1
1 628 . 4 1 1 A 70 70 GLN CB C 70 27.092 29.967 -2.875 1
1 629 . 4 1 1 A 70 70 GLN C C 70 173.241 176.244 -3.003 1
1 630 . 4 1 1 A 70 70 GLN HA H 70 4.286 4.373 -0.087 1
1 638 . 4 1 1 A 71 71 THR H H 71 7.532 7.967 -0.435 1
1 639 . 4 1 1 A 71 71 THR N N 71 108.100 110.922 -2.822 1
1 640 . 4 1 1 A 71 71 THR CA C 71 55.203 58.980 -3.777 1
1 641 . 4 1 1 A 71 71 THR HA H 71 4.780 4.944 -0.164 1
1 643 . 4 1 1 A 72 72 PRO CA C 72 60.050 62.263 -2.213 1
1 644 . 4 1 1 A 72 72 PRO CB C 72 26.678 31.398 -4.720 1
1 645 . 4 1 1 A 72 72 PRO C C 72 172.920 176.441 -3.521 1
1 646 . 4 1 1 A 72 72 PRO HA H 72 4.173 5.112 -0.939 1
1 649 . 4 1 1 A 73 73 ASN H H 73 7.321 9.049 -1.728 1
1 650 . 4 1 1 A 73 73 ASN N N 73 119.200 121.713 -2.513 1
1 651 . 4 1 1 A 73 73 ASN CA C 73 49.994 52.447 -2.453 1
1 652 . 4 1 1 A 74 74 GLU H H 74 9.030 8.595 0.435 1
1 653 . 4 1 1 A 74 74 GLU CA C 74 57.131 55.486 1.645 1
1 654 . 4 1 1 A 74 74 GLU CB C 74 27.005 30.426 -3.421 1
1 655 . 4 1 1 A 74 74 GLU C C 74 176.352 176.418 -0.066 1
1 656 . 4 1 1 A 74 74 GLU HA H 74 4.130 4.663 -0.533 1
1 661 . 4 1 1 A 75 75 GLU H H 75 8.574 8.714 -0.140 1
1 662 . 4 1 1 A 75 75 GLU N N 75 119.200 122.392 -3.192 1
1 663 . 4 1 1 A 75 75 GLU CA C 75 56.343 56.828 -0.485 1
1 664 . 4 1 1 A 75 75 GLU CB C 75 26.028 32.193 -6.165 1
1 665 . 4 1 1 A 75 75 GLU C C 75 173.866 177.267 -3.401 1
1 666 . 4 1 1 A 75 75 GLU HA H 75 4.206 4.510 -0.304 1
1 671 . 4 1 1 A 76 76 CYS H H 76 7.727 7.686 0.041 1
1 672 . 4 1 1 A 76 76 CYS N N 76 113.800 116.721 -2.921 1
1 673 . 4 1 1 A 76 76 CYS CA C 76 55.635 59.364 -3.729 1
1 674 . 4 1 1 A 76 76 CYS CB C 76 26.036 27.982 -1.946 1
1 675 . 4 1 1 A 76 76 CYS C C 76 170.849 174.151 -3.302 1
1 676 . 4 1 1 A 76 76 CYS HA H 76 5.426 4.243 1.183 1
1 679 . 4 1 1 A 77 77 LEU H H 77 6.241 6.984 -0.743 1
1 680 . 4 1 1 A 77 77 LEU N N 77 118.069 119.169 -1.100 1
1 681 . 4 1 1 A 77 77 LEU CA C 77 51.793 53.449 -1.656 1
1 682 . 4 1 1 A 77 77 LEU CB C 77 42.123 42.437 -0.314 1
1 683 . 4 1 1 A 77 77 LEU C C 77 173.882 175.813 -1.931 1
1 684 . 4 1 1 A 77 77 LEU HA H 77 4.555 3.930 0.625 1
1 694 . 4 1 1 A 78 78 PHE H H 78 9.067 8.455 0.612 1
1 695 . 4 1 1 A 78 78 PHE N N 78 122.377 119.758 2.619 1
1 696 . 4 1 1 A 78 78 PHE CA C 78 54.917 56.402 -1.485 1
1 697 . 4 1 1 A 78 78 PHE CB C 78 40.597 43.869 -3.272 1
1 698 . 4 1 1 A 78 78 PHE C C 78 171.853 174.593 -2.740 1
1 699 . 4 1 1 A 78 78 PHE HA H 78 5.169 5.070 0.099 1
1 702 . 4 1 1 A 79 79 LEU H H 79 9.958 8.832 1.126 1
1 703 . 4 1 1 A 79 79 LEU N N 79 122.126 123.040 -0.914 1
1 704 . 4 1 1 A 79 79 LEU CA C 79 51.232 54.498 -3.266 1
1 705 . 4 1 1 A 79 79 LEU CB C 79 38.511 44.188 -5.677 1
1 706 . 4 1 1 A 79 79 LEU C C 79 173.055 175.809 -2.754 1
1 707 . 4 1 1 A 79 79 LEU HA H 79 4.686 5.044 -0.358 1
1 713 . 4 1 1 A 80 80 GLU H H 80 8.347 9.077 -0.730 1
1 714 . 4 1 1 A 80 80 GLU N N 80 126.300 127.664 -1.364 1
1 715 . 4 1 1 A 80 80 GLU CA C 80 52.558 55.309 -2.751 1
1 716 . 4 1 1 A 80 80 GLU CB C 80 30.892 31.506 -0.614 1
1 717 . 4 1 1 A 80 80 GLU C C 80 173.355 175.097 -1.742 1
1 718 . 4 1 1 A 80 80 GLU HA H 80 4.832 5.023 -0.191 1
1 721 . 4 1 1 A 81 81 ARG H H 81 8.840 8.785 0.055 1
1 722 . 4 1 1 A 81 81 ARG N N 81 129.522 128.319 1.203 1
1 723 . 4 1 1 A 81 81 ARG CA C 81 52.288 54.631 -2.343 1
1 724 . 4 1 1 A 81 81 ARG CB C 81 38.588 32.635 5.953 1
1 725 . 4 1 1 A 81 81 ARG C C 81 172.258 174.845 -2.587 1
1 726 . 4 1 1 A 81 81 ARG HA H 81 4.659 4.776 -0.117 1
1 732 . 4 1 1 A 82 82 LEU H H 82 8.347 8.620 -0.273 1
1 733 . 4 1 1 A 82 82 LEU N N 82 125.700 124.021 1.679 1
1 734 . 4 1 1 A 82 82 LEU CA C 82 52.631 53.390 -0.759 1
1 735 . 4 1 1 A 82 82 LEU CB C 82 40.304 43.030 -2.726 1
1 736 . 4 1 1 A 82 82 LEU C C 82 174.567 175.461 -0.894 1
1 737 . 4 1 1 A 82 82 LEU HA H 82 4.875 4.716 0.159 1
1 744 . 4 1 1 A 83 83 GLU H H 83 9.064 9.017 0.047 1
1 745 . 4 1 1 A 83 83 GLU N N 83 125.600 123.776 1.824 1
1 746 . 4 1 1 A 83 83 GLU CA C 83 51.723 56.224 -4.501 1
1 747 . 4 1 1 A 83 83 GLU CB C 83 43.703 31.084 12.619 1
1 748 . 4 1 1 A 83 83 GLU C C 83 174.885 177.218 -2.333 1
1 749 . 4 1 1 A 83 83 GLU HA H 83 4.974 4.460 0.514 1
1 752 . 4 1 1 A 84 84 GLU H H 84 8.806 9.004 -0.198 1
1 753 . 4 1 1 A 84 84 GLU N N 84 120.300 124.574 -4.274 1
1 754 . 4 1 1 A 84 84 GLU CA C 84 55.553 57.082 -1.529 1
1 755 . 4 1 1 A 84 84 GLU CB C 84 27.117 29.966 -2.849 1
1 756 . 4 1 1 A 84 84 GLU C C 84 174.261 177.742 -3.481 1
1 757 . 4 1 1 A 84 84 GLU HA H 84 4.112 4.460 -0.348 1
1 761 . 4 1 1 A 85 85 ASN H H 85 8.429 7.989 0.440 1
1 762 . 4 1 1 A 85 85 ASN N N 85 114.800 117.035 -2.235 1
1 763 . 4 1 1 A 85 85 ASN CA C 85 51.788 53.041 -1.253 1
1 764 . 4 1 1 A 85 85 ASN CB C 85 35.301 38.676 -3.375 1
1 765 . 4 1 1 A 85 85 ASN C C 85 172.203 174.717 -2.514 1
1 766 . 4 1 1 A 85 85 ASN HA H 85 4.343 4.922 -0.579 1
1 769 . 4 1 1 A 86 86 HIS H H 86 8.081 8.108 -0.027 1
1 770 . 4 1 1 A 86 86 HIS N N 86 108.737 116.116 -7.379 1
1 771 . 4 1 1 A 86 86 HIS CA C 86 55.255 56.596 -1.341 1
1 772 . 4 1 1 A 86 86 HIS CB C 86 24.858 28.062 -3.204 1
1 773 . 4 1 1 A 86 86 HIS C C 86 171.039 173.318 -2.279 1
1 774 . 4 1 1 A 86 86 HIS HA H 86 4.260 4.154 0.106 1
1 777 . 4 1 1 A 87 87 TYR H H 87 7.592 7.899 -0.307 1
1 778 . 4 1 1 A 87 87 TYR N N 87 117.738 118.243 -0.505 1
1 779 . 4 1 1 A 87 87 TYR CA C 87 56.163 56.742 -0.579 1
1 780 . 4 1 1 A 87 87 TYR CB C 87 38.643 42.231 -3.588 1
1 781 . 4 1 1 A 87 87 TYR C C 87 171.983 175.096 -3.113 1
1 782 . 4 1 1 A 87 87 TYR HA H 87 4.836 4.877 -0.041 1
1 784 . 4 1 1 A 88 88 ASN H H 88 9.840 8.719 1.121 1
1 785 . 4 1 1 A 88 88 ASN N N 88 118.891 120.689 -1.798 1
1 786 . 4 1 1 A 88 88 ASN CA C 88 50.063 52.768 -2.705 1
1 787 . 4 1 1 A 88 88 ASN CB C 88 40.242 40.457 -0.215 1
1 788 . 4 1 1 A 88 88 ASN C C 88 172.471 174.507 -2.036 1
1 789 . 4 1 1 A 88 88 ASN HA H 88 5.837 5.090 0.747 1
1 795 . 4 1 1 A 89 89 THR H H 89 8.380 8.426 -0.046 1
1 796 . 4 1 1 A 89 89 THR N N 89 108.521 116.712 -8.191 1
1 797 . 4 1 1 A 89 89 THR CA C 89 57.357 59.984 -2.627 1
1 798 . 4 1 1 A 89 89 THR CB C 89 70.868 72.529 -1.661 1
1 799 . 4 1 1 A 89 89 THR C C 89 170.548 172.318 -1.770 1
1 800 . 4 1 1 A 89 89 THR HA H 89 5.127 5.052 0.075 1
1 805 . 4 1 1 A 90 90 TYR H H 90 10.247 8.805 1.442 1
1 806 . 4 1 1 A 90 90 TYR N N 90 119.000 121.727 -2.727 1
1 807 . 4 1 1 A 90 90 TYR CA C 90 55.106 56.072 -0.966 1
1 808 . 4 1 1 A 90 90 TYR CB C 90 39.047 42.373 -3.326 1
1 809 . 4 1 1 A 90 90 TYR C C 90 172.442 174.754 -2.312 1
1 810 . 4 1 1 A 90 90 TYR HA H 90 5.472 5.266 0.206 1
1 812 . 4 1 1 A 91 91 ILE H H 91 8.781 9.386 -0.605 1
1 813 . 4 1 1 A 91 91 ILE N N 91 122.546 122.947 -0.401 1
1 814 . 4 1 1 A 91 91 ILE CA C 91 56.346 59.641 -3.295 1
1 815 . 4 1 1 A 91 91 ILE CB C 91 36.627 40.709 -4.082 1
1 816 . 4 1 1 A 91 91 ILE C C 91 172.924 174.866 -1.942 1
1 817 . 4 1 1 A 91 91 ILE HA H 91 4.673 4.857 -0.184 1
1 826 . 4 1 1 A 92 92 SER H H 92 8.191 8.565 -0.374 1
1 827 . 4 1 1 A 92 92 SER N N 92 120.200 120.051 0.149 1
1 828 . 4 1 1 A 92 92 SER CA C 92 55.781 57.580 -1.799 1
1 829 . 4 1 1 A 92 92 SER CB C 92 62.382 63.027 -0.645 1
1 830 . 4 1 1 A 92 92 SER C C 92 172.863 174.641 -1.778 1
1 831 . 4 1 1 A 92 92 SER HA H 92 4.016 5.065 -1.049 1
1 833 . 4 1 1 A 93 93 LYS H H 93 7.993 8.693 -0.700 1
1 834 . 4 1 1 A 93 93 LYS N N 93 130.618 126.733 3.885 1
1 835 . 4 1 1 A 93 93 LYS CA C 93 57.942 58.353 -0.411 1
1 836 . 4 1 1 A 93 93 LYS CB C 93 30.889 32.114 -1.225 1
1 837 . 4 1 1 A 93 93 LYS C C 93 176.938 177.778 -0.840 1
1 838 . 4 1 1 A 93 93 LYS HA H 93 3.779 4.301 -0.522 1
1 844 . 4 1 1 A 94 94 LYS H H 94 8.616 8.061 0.555 1
1 845 . 4 1 1 A 94 94 LYS N N 94 120.044 121.269 -1.225 1
1 846 . 4 1 1 A 94 94 LYS CA C 94 55.868 59.227 -3.359 1
1 847 . 4 1 1 A 94 94 LYS CB C 94 30.329 32.864 -2.535 1
1 848 . 4 1 1 A 94 94 LYS C C 94 174.491 178.550 -4.059 1
1 849 . 4 1 1 A 94 94 LYS HA H 94 3.851 4.162 -0.311 1
1 856 . 4 1 1 A 95 95 HIS H H 95 7.249 8.228 -0.979 1
1 857 . 4 1 1 A 95 95 HIS N N 95 114.486 117.436 -2.950 1
1 858 . 4 1 1 A 95 95 HIS CA C 95 51.180 55.782 -4.602 1
1 859 . 4 1 1 A 95 95 HIS CB C 95 26.844 29.756 -2.912 1
1 860 . 4 1 1 A 95 95 HIS C C 95 173.734 175.594 -1.860 1
1 861 . 4 1 1 A 95 95 HIS HA H 95 4.604 4.698 -0.094 1
1 864 . 4 1 1 A 96 96 ALA H H 96 7.104 7.869 -0.765 1
1 865 . 4 1 1 A 96 96 ALA N N 96 125.204 124.228 0.976 1
1 866 . 4 1 1 A 96 96 ALA CA C 96 53.758 55.700 -1.942 1
1 867 . 4 1 1 A 96 96 ALA CB C 96 16.578 18.603 -2.025 1
1 868 . 4 1 1 A 96 96 ALA C C 96 178.508 180.093 -1.585 1
1 869 . 4 1 1 A 96 96 ALA HA H 96 4.131 4.165 -0.034 1
1 873 . 4 1 1 A 97 97 GLU H H 97 8.857 8.321 0.536 1
1 874 . 4 1 1 A 97 97 GLU N N 97 118.007 118.426 -0.419 1
1 875 . 4 1 1 A 97 97 GLU CA C 97 56.153 59.483 -3.330 1
1 876 . 4 1 1 A 97 97 GLU CB C 97 26.241 29.360 -3.119 1
1 877 . 4 1 1 A 97 97 GLU C C 97 174.813 178.165 -3.352 1
1 878 . 4 1 1 A 97 97 GLU HA H 97 4.063 3.925 0.138 1
1 882 . 4 1 1 A 98 98 LYS H H 98 7.116 7.577 -0.461 1
1 883 . 4 1 1 A 98 98 LYS N N 98 116.241 117.133 -0.892 1
1 884 . 4 1 1 A 98 98 LYS CA C 98 52.852 55.811 -2.959 1
1 885 . 4 1 1 A 98 98 LYS CB C 98 29.959 31.992 -2.033 1
1 886 . 4 1 1 A 98 98 LYS C C 98 173.361 175.929 -2.568 1
1 887 . 4 1 1 A 98 98 LYS HA H 98 4.280 4.162 0.118 1
1 893 . 4 1 1 A 99 99 ASN H H 99 7.842 7.886 -0.044 1
1 894 . 4 1 1 A 99 99 ASN N N 99 113.000 115.845 -2.845 1
1 895 . 4 1 1 A 99 99 ASN CA C 99 52.240 54.469 -2.229 1
1 896 . 4 1 1 A 99 99 ASN CB C 99 35.289 37.847 -2.558 1
1 897 . 4 1 1 A 99 99 ASN C C 99 170.506 174.377 -3.871 1
1 898 . 4 1 1 A 99 99 ASN HA H 99 3.772 4.196 -0.424 1
1 904 . 4 1 1 A 100 100 TRP H H 100 6.369 7.739 -1.370 1
1 905 . 4 1 1 A 100 100 TRP N N 100 116.000 120.617 -4.617 1
1 906 . 4 1 1 A 100 100 TRP CA C 100 53.179 57.614 -4.435 1
1 907 . 4 1 1 A 100 100 TRP CB C 100 28.228 30.443 -2.215 1
1 908 . 4 1 1 A 100 100 TRP C C 100 171.701 175.905 -4.204 1
1 909 . 4 1 1 A 100 100 TRP HA H 100 4.816 4.743 0.073 1
1 912 . 4 1 1 A 101 101 PHE H H 101 8.026 9.300 -1.274 1
1 913 . 4 1 1 A 101 101 PHE N N 101 124.185 119.730 4.455 1
1 914 . 4 1 1 A 101 101 PHE CA C 101 55.472 57.158 -1.686 1
1 915 . 4 1 1 A 101 101 PHE CB C 101 39.220 41.293 -2.073 1
1 916 . 4 1 1 A 101 101 PHE C C 101 175.044 175.302 -0.258 1
1 917 . 4 1 1 A 101 101 PHE HA H 101 5.373 5.233 0.140 1
1 920 . 4 1 1 A 102 102 VAL H H 102 8.499 8.371 0.128 1
1 921 . 4 1 1 A 102 102 VAL N N 102 120.282 122.699 -2.417 1
1 922 . 4 1 1 A 102 102 VAL CA C 102 60.975 61.136 -0.161 1
1 923 . 4 1 1 A 102 102 VAL CB C 102 30.243 32.109 -1.866 1
1 924 . 4 1 1 A 102 102 VAL C C 102 174.220 175.213 -0.993 1
1 925 . 4 1 1 A 102 102 VAL HA H 102 3.939 4.568 -0.629 1
1 930 . 4 1 1 A 103 103 GLY H H 103 8.996 8.637 0.359 1
1 931 . 4 1 1 A 103 103 GLY N N 103 114.668 115.477 -0.809 1
1 932 . 4 1 1 A 103 103 GLY CA C 103 43.802 44.243 -0.441 1
1 933 . 4 1 1 A 103 103 GLY C C 103 169.388 172.606 -3.218 1
1 934 . 4 1 1 A 103 103 GLY HA2 H 103 5.275 4.456 0.819 1
1 935 . 4 1 1 A 103 103 GLY HA3 H 103 3.180 4.637 -1.457 1
1 936 . 4 1 1 A 104 104 LEU H H 104 8.118 8.318 -0.200 1
1 937 . 4 1 1 A 104 104 LEU N N 104 119.100 119.522 -0.422 1
1 938 . 4 1 1 A 104 104 LEU CA C 104 51.207 52.459 -1.252 1
1 939 . 4 1 1 A 104 104 LEU CB C 104 43.579 46.211 -2.632 1
1 940 . 4 1 1 A 104 104 LEU C C 104 174.252 174.705 -0.453 1
1 941 . 4 1 1 A 104 104 LEU HA H 104 4.959 5.222 -0.263 1
1 950 . 4 1 1 A 105 105 LYS H H 105 8.847 8.396 0.451 1
1 951 . 4 1 1 A 105 105 LYS N N 105 118.900 122.077 -3.177 1
1 952 . 4 1 1 A 105 105 LYS CA C 105 54.035 55.260 -1.225 1
1 953 . 4 1 1 A 105 105 LYS C C 105 176.404 176.659 -0.255 1
1 954 . 4 1 1 A 105 105 LYS HA H 105 4.215 4.469 -0.254 1
1 960 . 4 1 1 A 106 106 LYS H H 106 8.980 8.506 0.474 1
1 961 . 4 1 1 A 106 106 LYS N N 106 122.172 124.652 -2.480 1
1 962 . 4 1 1 A 106 106 LYS CA C 106 57.672 58.515 -0.843 1
1 963 . 4 1 1 A 106 106 LYS CB C 106 29.780 31.738 -1.958 1
1 964 . 4 1 1 A 106 106 LYS C C 106 174.499 177.921 -3.422 1
1 965 . 4 1 1 A 106 106 LYS HA H 106 3.624 4.048 -0.424 1
1 970 . 4 1 1 A 107 107 ASN H H 107 7.352 7.963 -0.611 1
1 971 . 4 1 1 A 107 107 ASN N N 107 112.743 118.999 -6.256 1
1 972 . 4 1 1 A 107 107 ASN CA C 107 49.523 55.152 -5.629 1
1 973 . 4 1 1 A 107 107 ASN CB C 107 35.121 37.996 -2.875 1
1 974 . 4 1 1 A 107 107 ASN C C 107 174.511 176.323 -1.812 1
1 975 . 4 1 1 A 107 107 ASN HA H 107 4.678 4.522 0.156 1
1 978 . 4 1 1 A 108 108 GLY H H 108 7.656 7.845 -0.189 1
1 979 . 4 1 1 A 108 108 GLY N N 108 109.900 107.176 2.724 1
1 980 . 4 1 1 A 108 108 GLY CA C 108 42.207 45.744 -3.537 1
1 981 . 4 1 1 A 108 108 GLY C C 108 169.305 174.073 -4.768 1
1 982 . 4 1 1 A 108 108 GLY HA3 H 108 3.358 4.067 -0.709 1
1 983 . 4 1 1 A 108 108 GLY HA2 H 108 2.111 4.038 -1.927 1
1 984 . 4 1 1 A 109 109 SER H H 109 7.280 7.959 -0.679 1
1 985 . 4 1 1 A 109 109 SER N N 109 112.357 110.779 1.578 1
1 986 . 4 1 1 A 109 109 SER CA C 109 55.139 57.313 -2.174 1
1 987 . 4 1 1 A 109 109 SER CB C 109 62.749 65.955 -3.206 1
1 988 . 4 1 1 A 109 109 SER C C 109 171.244 172.142 -0.898 1
1 989 . 4 1 1 A 109 109 SER HA H 109 4.755 4.972 -0.217 1
1 992 . 4 1 1 A 110 110 CYS H H 110 9.070 8.820 0.250 1
1 993 . 4 1 1 A 110 110 CYS N N 110 119.883 121.633 -1.750 1
1 994 . 4 1 1 A 110 110 CYS CA C 110 57.858 57.686 0.172 1
1 995 . 4 1 1 A 110 110 CYS CB C 110 37.322 27.990 9.332 1
1 996 . 4 1 1 A 110 110 CYS C C 110 172.131 173.904 -1.773 1
1 997 . 4 1 1 A 110 110 CYS HA H 110 4.296 4.800 -0.504 1
1 1000 . 4 1 1 A 111 111 LYS H H 111 8.095 8.876 -0.781 1
1 1001 . 4 1 1 A 111 111 LYS N N 111 128.642 123.668 4.974 1
1 1002 . 4 1 1 A 111 111 LYS CA C 111 52.117 54.951 -2.834 1
1 1003 . 4 1 1 A 111 111 LYS CB C 111 30.980 34.284 -3.304 1
1 1004 . 4 1 1 A 111 111 LYS C C 111 172.265 175.064 -2.799 1
1 1005 . 4 1 1 A 111 111 LYS HA H 111 4.380 5.131 -0.751 1
1 1010 . 4 1 1 A 112 112 ARG H H 112 8.566 8.684 -0.118 1
1 1011 . 4 1 1 A 112 112 ARG N N 112 124.700 125.120 -0.420 1
1 1012 . 4 1 1 A 112 112 ARG CA C 112 54.295 54.480 -0.185 1
1 1013 . 4 1 1 A 112 112 ARG CB C 112 28.927 31.482 -2.555 1
1 1014 . 4 1 1 A 112 112 ARG C C 112 175.240 175.758 -0.518 1
1 1015 . 4 1 1 A 112 112 ARG HA H 112 4.252 4.798 -0.546 1
1 1021 . 4 1 1 A 113 113 GLY H H 113 9.408 8.457 0.951 1
1 1022 . 4 1 1 A 113 113 GLY N N 113 106.636 112.617 -5.981 1
1 1023 . 4 1 1 A 113 113 GLY CA C 113 44.552 46.516 -1.964 1
1 1024 . 4 1 1 A 113 113 GLY C C 113 169.610 174.528 -4.918 1
1 1025 . 4 1 1 A 113 113 GLY HA2 H 113 1.510 3.436 -1.926 1
1 1026 . 4 1 1 A 114 114 PRO CA C 114 62.529 64.679 -2.150 1
1 1027 . 4 1 1 A 114 114 PRO C C 114 174.543 177.300 -2.757 1
1 1028 . 4 1 1 A 114 114 PRO HA H 114 4.321 4.003 0.318 1
1 1033 . 4 1 1 A 115 115 ARG H H 115 8.067 7.972 0.095 1
1 1034 . 4 1 1 A 115 115 ARG N N 115 114.500 116.605 -2.105 1
1 1035 . 4 1 1 A 115 115 ARG CA C 115 52.011 56.541 -4.530 1
1 1036 . 4 1 1 A 115 115 ARG CB C 115 27.143 30.767 -3.624 1
1 1037 . 4 1 1 A 115 115 ARG C C 115 174.680 176.069 -1.389 1
1 1038 . 4 1 1 A 115 115 ARG HA H 115 4.508 4.282 0.226 1
1 1043 . 4 1 1 A 116 116 THR H H 116 7.643 7.239 0.404 1
1 1044 . 4 1 1 A 116 116 THR N N 116 111.716 110.855 0.861 1
1 1045 . 4 1 1 A 116 116 THR CA C 116 58.712 61.744 -3.032 1
1 1046 . 4 1 1 A 116 116 THR CB C 116 70.086 69.789 0.297 1
1 1047 . 4 1 1 A 116 116 THR C C 116 172.573 173.924 -1.351 1
1 1048 . 4 1 1 A 116 116 THR HA H 116 5.198 4.347 0.851 1
1 1053 . 4 1 1 A 117 117 HIS H H 117 7.091 8.232 -1.141 1
1 1054 . 4 1 1 A 117 117 HIS N N 117 112.914 123.272 -10.358 1
1 1055 . 4 1 1 A 117 117 HIS CA C 117 53.291 55.461 -2.170 1
1 1056 . 4 1 1 A 117 117 HIS CB C 117 29.133 31.186 -2.053 1
1 1057 . 4 1 1 A 117 117 HIS C C 117 170.344 171.949 -1.605 1
1 1058 . 4 1 1 A 117 117 HIS HA H 117 4.868 4.787 0.081 1
1 1061 . 4 1 1 A 118 118 TYR H H 118 9.020 8.628 0.392 1
1 1062 . 4 1 1 A 118 118 TYR N N 118 123.051 122.714 0.337 1
1 1063 . 4 1 1 A 118 118 TYR CA C 118 58.801 56.578 2.223 1
1 1064 . 4 1 1 A 118 118 TYR CB C 118 29.959 37.938 -7.979 1
1 1065 . 4 1 1 A 118 118 TYR C C 118 174.446 175.077 -0.631 1
1 1066 . 4 1 1 A 118 118 TYR HA H 118 3.897 4.543 -0.646 1
1 1069 . 4 1 1 A 119 119 GLY H H 119 7.999 8.784 -0.785 1
1 1070 . 4 1 1 A 119 119 GLY N N 119 116.885 113.271 3.614 1
1 1071 . 4 1 1 A 119 119 GLY CA C 119 42.599 45.796 -3.197 1
1 1072 . 4 1 1 A 119 119 GLY C C 119 172.439 173.535 -1.096 1
1 1073 . 4 1 1 A 119 119 GLY HA3 H 119 4.385 3.870 0.515 1
1 1074 . 4 1 1 A 119 119 GLY HA2 H 119 3.296 3.863 -0.567 1
1 1075 . 4 1 1 A 120 120 GLN H H 120 7.003 7.406 -0.403 1
1 1076 . 4 1 1 A 120 120 GLN N N 120 118.266 117.842 0.424 1
1 1077 . 4 1 1 A 120 120 GLN CA C 120 52.617 53.870 -1.253 1
1 1078 . 4 1 1 A 120 120 GLN CB C 120 27.324 32.039 -4.715 1
1 1079 . 4 1 1 A 120 120 GLN C C 120 174.995 175.384 -0.389 1
1 1080 . 4 1 1 A 120 120 GLN HA H 120 4.262 4.537 -0.275 1
1 1083 . 4 1 1 A 121 121 LYS H H 121 8.477 8.577 -0.100 1
1 1084 . 4 1 1 A 121 121 LYS N N 121 121.222 120.969 0.253 1
1 1085 . 4 1 1 A 121 121 LYS CA C 121 56.243 56.796 -0.553 1
1 1086 . 4 1 1 A 121 121 LYS CB C 121 29.598 32.143 -2.545 1
1 1087 . 4 1 1 A 121 121 LYS C C 121 172.702 176.795 -4.093 1
1 1088 . 4 1 1 A 121 121 LYS HA H 121 3.809 4.229 -0.420 1
1 1093 . 4 1 1 A 122 122 ALA H H 122 7.526 7.799 -0.273 1
1 1094 . 4 1 1 A 122 122 ALA N N 122 116.019 122.320 -6.301 1
1 1095 . 4 1 1 A 122 122 ALA CA C 122 52.338 53.130 -0.792 1
1 1096 . 4 1 1 A 122 122 ALA CB C 122 18.675 18.651 0.024 1
1 1097 . 4 1 1 A 122 122 ALA C C 122 172.756 177.548 -4.792 1
1 1098 . 4 1 1 A 122 122 ALA HA H 122 3.947 4.132 -0.185 1
1 1102 . 4 1 1 A 123 123 ILE H H 123 5.794 7.469 -1.675 1
1 1103 . 4 1 1 A 123 123 ILE N N 123 101.200 114.721 -13.521 1
1 1104 . 4 1 1 A 123 123 ILE CA C 123 57.297 61.116 -3.819 1
1 1105 . 4 1 1 A 123 123 ILE CB C 123 35.425 37.581 -2.156 1
1 1106 . 4 1 1 A 123 123 ILE C C 123 172.790 175.435 -2.645 1
1 1107 . 4 1 1 A 123 123 ILE HA H 123 5.184 4.421 0.763 1
1 1116 . 4 1 1 A 124 124 LEU H H 124 6.716 7.203 -0.487 1
1 1117 . 4 1 1 A 124 124 LEU N N 124 121.554 123.174 -1.620 1
1 1118 . 4 1 1 A 124 124 LEU CA C 124 51.686 53.498 -1.812 1
1 1119 . 4 1 1 A 124 124 LEU CB C 124 39.622 41.980 -2.358 1
1 1120 . 4 1 1 A 124 124 LEU C C 124 173.411 175.403 -1.992 1
1 1121 . 4 1 1 A 124 124 LEU HA H 124 4.597 4.652 -0.055 1
1 1130 . 4 1 1 A 125 125 PHE H H 125 9.226 9.588 -0.362 1
1 1131 . 4 1 1 A 125 125 PHE N N 125 121.900 123.732 -1.832 1
1 1132 . 4 1 1 A 125 125 PHE CA C 125 54.604 56.969 -2.365 1
1 1133 . 4 1 1 A 125 125 PHE CB C 125 41.692 40.879 0.813 1
1 1134 . 4 1 1 A 125 125 PHE C C 125 172.768 175.152 -2.384 1
1 1135 . 4 1 1 A 125 125 PHE HA H 125 5.612 5.032 0.580 1
1 1138 . 4 1 1 A 126 126 LEU H H 126 9.932 8.619 1.313 1
1 1139 . 4 1 1 A 126 126 LEU N N 126 125.427 123.905 1.522 1
1 1140 . 4 1 1 A 126 126 LEU CA C 126 48.875 50.832 -1.957 1
1 1141 . 4 1 1 A 127 127 PRO CA C 127 58.907 62.146 -3.239 1
1 1142 . 4 1 1 A 127 127 PRO CB C 127 28.730 31.790 -3.060 1
1 1143 . 4 1 1 A 127 127 PRO C C 127 174.541 175.994 -1.453 1
1 1144 . 4 1 1 A 127 127 PRO HA H 127 5.587 5.631 -0.044 1
1 1147 . 4 1 1 A 128 128 LEU H H 128 9.674 8.553 1.121 1
1 1148 . 4 1 1 A 128 128 LEU N N 128 129.196 125.099 4.097 1
1 1149 . 4 1 1 A 128 128 LEU CA C 128 49.523 51.781 -2.258 1
1 1150 . 4 1 1 A 128 128 LEU C C 128 175.960 175.294 0.666 1
1 1151 . 4 1 1 A 129 129 PRO CA C 129 60.043 62.225 -2.182 1
1 1152 . 4 1 1 A 129 129 PRO CB C 129 29.800 32.287 -2.487 1
1 1153 . 4 1 1 A 129 129 PRO C C 129 174.414 176.386 -1.972 1
1 1154 . 4 1 1 A 129 129 PRO HA H 129 4.710 4.933 -0.223 1
1 1160 . 4 1 1 A 130 130 VAL H H 130 7.992 8.264 -0.272 1
1 1161 . 4 1 1 A 130 130 VAL N N 130 118.275 121.701 -3.426 1
1 1162 . 4 1 1 A 130 130 VAL CA C 130 61.494 62.136 -0.642 1
1 1163 . 4 1 1 A 130 130 VAL CB C 130 29.649 31.296 -1.647 1
1 1164 . 4 1 1 A 130 130 VAL C C 130 174.097 175.825 -1.728 1
1 1165 . 4 1 1 A 130 130 VAL HA H 130 3.794 4.147 -0.353 1
1 1173 . 4 1 1 A 131 131 SER H H 131 7.844 8.657 -0.813 1
1 1174 . 4 1 1 A 131 131 SER N N 131 115.853 122.926 -7.073 1
1 1175 . 4 1 1 A 131 131 SER CA C 131 55.233 57.787 -2.554 1
1 1176 . 4 1 1 A 131 131 SER CB C 131 61.375 64.597 -3.222 1
1 1177 . 4 1 1 A 131 131 SER C C 131 173.574 174.313 -0.739 1
1 1178 . 4 1 1 A 131 131 SER HA H 131 4.218 4.836 -0.618 1
1 1181 . 4 1 1 A 132 132 SER H H 132 8.196 8.837 -0.641 1
1 1182 . 4 1 1 A 132 132 SER N N 132 118.100 121.386 -3.286 1
1 1183 . 4 1 1 A 132 132 SER CA C 132 56.021 58.361 -2.340 1
1 1184 . 4 1 1 A 132 132 SER CB C 132 61.848 61.428 0.420 1
1 1185 . 4 1 1 A 132 132 SER C C 132 170.997 172.762 -1.765 1
1 1186 . 4 1 1 A 132 132 SER HA H 132 4.484 4.803 -0.319 1
1 12 . 5 1 1 A 2 2 LYS H H 2 7.955 8.201 -0.246 1
1 13 . 5 1 1 A 2 2 LYS N N 2 120.000 122.061 -2.061 1
1 14 . 5 1 1 A 2 2 LYS CA C 2 51.913 56.351 -4.438 1
1 15 . 5 1 1 A 2 2 LYS C C 2 174.300 176.099 -1.799 1
1 16 . 5 1 1 A 2 2 LYS HA H 2 4.270 4.410 -0.140 1
1 18 . 5 1 1 A 3 3 LYS H H 3 7.960 8.601 -0.641 1
1 19 . 5 1 1 A 3 3 LYS N N 3 119.640 123.787 -4.147 1
1 20 . 5 1 1 A 3 3 LYS CA C 3 51.900 57.722 -5.822 1
1 21 . 5 1 1 A 3 3 LYS HA H 3 4.600 4.491 0.109 1
1 24 . 5 1 1 A 4 4 PRO CA C 4 60.687 62.283 -1.596 1
1 25 . 5 1 1 A 4 4 PRO C C 4 172.359 176.129 -3.770 1
1 26 . 5 1 1 A 4 4 PRO CB C 4 30.627 32.587 -1.960 1
1 27 . 5 1 1 A 4 4 PRO HA H 4 4.716 4.708 0.008 1
1 29 . 5 1 1 A 5 5 LYS H H 5 9.357 8.871 0.486 1
1 30 . 5 1 1 A 5 5 LYS N N 5 119.100 121.208 -2.108 1
1 31 . 5 1 1 A 5 5 LYS CA C 5 51.445 54.869 -3.424 1
1 32 . 5 1 1 A 5 5 LYS CB C 5 34.945 34.800 0.145 1
1 33 . 5 1 1 A 5 5 LYS C C 5 171.776 176.364 -4.588 1
1 34 . 5 1 1 A 5 5 LYS HA H 5 5.062 4.837 0.225 1
1 37 . 5 1 1 A 6 6 LEU H H 6 8.944 9.187 -0.243 1
1 38 . 5 1 1 A 6 6 LEU N N 6 117.400 118.952 -1.552 1
1 39 . 5 1 1 A 6 6 LEU CA C 6 50.259 52.940 -2.681 1
1 40 . 5 1 1 A 6 6 LEU CB C 6 41.472 44.234 -2.762 1
1 41 . 5 1 1 A 6 6 LEU C C 6 174.676 175.451 -0.775 1
1 42 . 5 1 1 A 6 6 LEU HA H 6 4.984 5.075 -0.091 1
1 51 . 5 1 1 A 7 7 LEU H H 7 10.297 8.858 1.439 1
1 52 . 5 1 1 A 7 7 LEU N N 7 125.000 123.115 1.885 1
1 53 . 5 1 1 A 7 7 LEU CA C 7 53.596 53.731 -0.135 1
1 54 . 5 1 1 A 7 7 LEU C C 7 172.290 175.191 -2.901 1
1 55 . 5 1 1 A 7 7 LEU HA H 7 5.083 4.935 0.148 1
1 65 . 5 1 1 A 8 8 TYR H H 8 8.483 8.791 -0.308 1
1 66 . 5 1 1 A 8 8 TYR N N 8 125.000 128.631 -3.631 1
1 67 . 5 1 1 A 8 8 TYR CA C 8 54.761 55.361 -0.600 1
1 68 . 5 1 1 A 8 8 TYR CB C 8 37.988 39.765 -1.777 1
1 69 . 5 1 1 A 8 8 TYR C C 8 171.270 174.118 -2.848 1
1 70 . 5 1 1 A 8 8 TYR HA H 8 4.592 5.138 -0.546 1
1 73 . 5 1 1 A 9 9 CYS H H 9 9.235 8.753 0.482 1
1 74 . 5 1 1 A 9 9 CYS N N 9 130.104 125.564 4.540 1
1 75 . 5 1 1 A 9 9 CYS CA C 9 55.588 57.762 -2.174 1
1 76 . 5 1 1 A 9 9 CYS CB C 9 26.864 27.788 -0.924 1
1 77 . 5 1 1 A 9 9 CYS C C 9 172.619 172.699 -0.080 1
1 78 . 5 1 1 A 9 9 CYS HA H 9 4.163 5.125 -0.962 1
1 82 . 5 1 1 A 10 10 SER H H 10 8.173 8.376 -0.203 1
1 83 . 5 1 1 A 10 10 SER N N 10 122.600 121.121 1.479 1
1 84 . 5 1 1 A 10 10 SER CA C 10 57.853 56.346 1.507 1
1 85 . 5 1 1 A 10 10 SER CB C 10 61.820 65.370 -3.550 1
1 86 . 5 1 1 A 10 10 SER C C 10 172.210 172.045 0.165 1
1 87 . 5 1 1 A 10 10 SER HA H 10 3.920 4.970 -1.050 1
1 89 . 5 1 1 A 11 11 ASN H H 11 7.450 8.628 -1.178 1
1 90 . 5 1 1 A 11 11 ASN N N 11 119.550 123.496 -3.946 1
1 91 . 5 1 1 A 11 11 ASN CA C 11 52.430 52.535 -0.105 1
1 92 . 5 1 1 A 11 11 ASN HA H 11 4.360 4.794 -0.434 1
1 94 . 5 1 1 A 12 12 GLY C C 12 171.806 172.383 -0.577 1
1 95 . 5 1 1 A 12 12 GLY CA C 12 41.915 45.918 -4.003 1
1 96 . 5 1 1 A 12 12 GLY HA3 H 12 3.927 4.149 -0.222 1
1 97 . 5 1 1 A 12 12 GLY H H 12 7.096 7.850 -0.754 1
1 98 . 5 1 1 A 12 12 GLY N N 12 109.300 112.476 -3.176 1
1 99 . 5 1 1 A 13 13 GLY H H 13 7.096 8.000 -0.904 1
1 100 . 5 1 1 A 13 13 GLY N N 13 109.300 110.277 -0.977 1
1 101 . 5 1 1 A 13 13 GLY CA C 13 44.272 45.630 -1.358 1
1 102 . 5 1 1 A 13 13 GLY C C 13 170.445 172.283 -1.838 1
1 103 . 5 1 1 A 13 13 GLY HA2 H 13 3.598 4.243 -0.645 1
1 104 . 5 1 1 A 13 13 GLY HA3 H 13 3.204 4.328 -1.124 1
1 105 . 5 1 1 A 14 14 HIS H H 14 6.302 8.506 -2.204 1
1 106 . 5 1 1 A 14 14 HIS N N 14 113.600 122.742 -9.142 1
1 107 . 5 1 1 A 14 14 HIS CA C 14 54.319 54.335 -0.016 1
1 108 . 5 1 1 A 14 14 HIS CB C 14 31.792 34.271 -2.479 1
1 109 . 5 1 1 A 14 14 HIS C C 14 171.281 173.482 -2.201 1
1 110 . 5 1 1 A 14 14 HIS HA H 14 4.104 5.087 -0.983 1
1 113 . 5 1 1 A 15 15 PHE H H 15 9.298 9.232 0.066 1
1 114 . 5 1 1 A 15 15 PHE N N 15 120.700 118.139 2.561 1
1 115 . 5 1 1 A 15 15 PHE CA C 15 54.273 56.483 -2.210 1
1 116 . 5 1 1 A 15 15 PHE CB C 15 37.632 43.291 -5.659 1
1 117 . 5 1 1 A 15 15 PHE C C 15 173.938 174.973 -1.035 1
1 118 . 5 1 1 A 15 15 PHE HA H 15 5.390 5.321 0.069 1
1 121 . 5 1 1 A 16 16 LEU H H 16 8.480 8.335 0.145 1
1 122 . 5 1 1 A 16 16 LEU N N 16 124.700 124.168 0.532 1
1 123 . 5 1 1 A 16 16 LEU CA C 16 54.440 55.017 -0.577 1
1 124 . 5 1 1 A 16 16 LEU C C 16 171.758 175.569 -3.811 1
1 125 . 5 1 1 A 16 16 LEU CB C 16 41.301 42.276 -0.975 1
1 126 . 5 1 1 A 16 16 LEU HA H 16 4.394 5.257 -0.863 1
1 129 . 5 1 1 A 17 17 ARG H H 17 9.339 9.338 0.001 1
1 130 . 5 1 1 A 17 17 ARG N N 17 126.971 126.252 0.719 1
1 131 . 5 1 1 A 17 17 ARG CA C 17 53.301 54.225 -0.924 1
1 132 . 5 1 1 A 17 17 ARG CB C 17 32.620 33.984 -1.364 1
1 133 . 5 1 1 A 17 17 ARG C C 17 171.302 175.566 -4.264 1
1 134 . 5 1 1 A 17 17 ARG HA H 17 4.715 5.137 -0.422 1
1 141 . 5 1 1 A 18 18 ILE H H 18 6.989 8.633 -1.644 1
1 142 . 5 1 1 A 18 18 ILE N N 18 120.966 120.408 0.558 1
1 143 . 5 1 1 A 18 18 ILE CA C 18 57.903 59.827 -1.924 1
1 144 . 5 1 1 A 18 18 ILE C C 18 173.747 174.999 -1.252 1
1 145 . 5 1 1 A 18 18 ILE HA H 18 4.563 5.046 -0.483 1
1 150 . 5 1 1 A 19 19 LEU H H 19 8.940 8.573 0.367 1
1 151 . 5 1 1 A 19 19 LEU N N 19 128.097 125.440 2.657 1
1 152 . 5 1 1 A 19 19 LEU CA C 19 51.419 52.158 -0.739 1
1 153 . 5 1 1 A 20 20 PRO CA C 20 62.710 64.112 -1.402 1
1 154 . 5 1 1 A 20 20 PRO CB C 20 29.518 31.898 -2.380 1
1 155 . 5 1 1 A 20 20 PRO C C 20 173.966 177.080 -3.114 1
1 156 . 5 1 1 A 20 20 PRO HA H 20 4.319 4.573 -0.254 1
1 161 . 5 1 1 A 21 21 ASP H H 21 7.415 8.072 -0.657 1
1 162 . 5 1 1 A 21 21 ASP N N 21 114.000 116.738 -2.738 1
1 163 . 5 1 1 A 21 21 ASP CA C 21 51.361 54.047 -2.686 1
1 164 . 5 1 1 A 21 21 ASP CB C 21 37.419 41.172 -3.753 1
1 165 . 5 1 1 A 21 21 ASP C C 21 174.570 176.638 -2.068 1
1 166 . 5 1 1 A 21 21 ASP HA H 21 4.513 4.710 -0.197 1
1 169 . 5 1 1 A 22 22 GLY H H 22 8.404 8.182 0.222 1
1 170 . 5 1 1 A 22 22 GLY N N 22 109.100 107.492 1.608 1
1 171 . 5 1 1 A 22 22 GLY CA C 22 43.166 46.215 -3.049 1
1 172 . 5 1 1 A 22 22 GLY C C 22 172.565 174.387 -1.822 1
1 173 . 5 1 1 A 22 22 GLY HA3 H 22 4.632 4.142 0.490 1
1 174 . 5 1 1 A 22 22 GLY HA2 H 22 3.838 4.082 -0.244 1
1 175 . 5 1 1 A 23 23 THR H H 23 7.894 7.792 0.102 1
1 176 . 5 1 1 A 23 23 THR N N 23 116.800 114.512 2.288 1
1 177 . 5 1 1 A 23 23 THR CA C 23 61.304 61.389 -0.085 1
1 178 . 5 1 1 A 23 23 THR CB C 23 67.455 71.604 -4.149 1
1 179 . 5 1 1 A 23 23 THR C C 23 170.170 173.042 -2.872 1
1 180 . 5 1 1 A 23 23 THR HA H 23 4.489 4.906 -0.417 1
1 185 . 5 1 1 A 24 24 VAL H H 24 7.792 9.057 -1.265 1
1 186 . 5 1 1 A 24 24 VAL N N 24 123.100 125.948 -2.848 1
1 187 . 5 1 1 A 24 24 VAL CA C 24 58.203 60.230 -2.027 1
1 188 . 5 1 1 A 24 24 VAL CB C 24 31.847 33.877 -2.030 1
1 189 . 5 1 1 A 24 24 VAL C C 24 171.629 174.411 -2.782 1
1 190 . 5 1 1 A 24 24 VAL HA H 24 5.084 4.958 0.126 1
1 195 . 5 1 1 A 25 25 ASP H H 25 8.906 8.636 0.270 1
1 196 . 5 1 1 A 25 25 ASP N N 25 131.200 126.300 4.900 1
1 197 . 5 1 1 A 25 25 ASP CA C 25 50.847 52.279 -1.432 1
1 198 . 5 1 1 A 25 25 ASP CB C 25 38.730 44.587 -5.857 1
1 199 . 5 1 1 A 25 25 ASP C C 25 170.281 175.182 -4.901 1
1 200 . 5 1 1 A 25 25 ASP HA H 25 4.313 5.362 -1.049 1
1 203 . 5 1 1 A 26 26 GLY H H 26 7.891 8.373 -0.482 1
1 204 . 5 1 1 A 26 26 GLY N N 26 102.500 106.833 -4.333 1
1 205 . 5 1 1 A 26 26 GLY CA C 26 42.057 44.770 -2.713 1
1 206 . 5 1 1 A 26 26 GLY C C 26 169.975 172.766 -2.791 1
1 207 . 5 1 1 A 26 26 GLY HA3 H 26 5.529 4.130 1.399 1
1 208 . 5 1 1 A 26 26 GLY HA2 H 26 3.015 4.125 -1.110 1
1 209 . 5 1 1 A 27 27 THR H H 27 8.529 9.261 -0.732 1
1 210 . 5 1 1 A 27 27 THR N N 27 112.700 118.251 -5.551 1
1 211 . 5 1 1 A 27 27 THR CA C 27 56.740 60.757 -4.017 1
1 212 . 5 1 1 A 27 27 THR CB C 27 67.326 72.434 -5.108 1
1 213 . 5 1 1 A 27 27 THR C C 27 170.554 173.094 -2.540 1
1 214 . 5 1 1 A 27 27 THR HA H 27 5.189 4.030 1.159 1
1 219 . 5 1 1 A 28 28 ARG H H 28 8.993 8.274 0.719 1
1 220 . 5 1 1 A 28 28 ARG N N 28 127.500 124.030 3.470 1
1 221 . 5 1 1 A 28 28 ARG CA C 28 54.938 55.987 -1.049 1
1 222 . 5 1 1 A 28 28 ARG CB C 28 37.260 30.590 6.670 1
1 223 . 5 1 1 A 28 28 ARG C C 28 173.450 174.849 -1.399 1
1 224 . 5 1 1 A 28 28 ARG HA H 28 4.691 5.106 -0.415 1
1 227 . 5 1 1 A 29 29 ASP H H 29 8.323 8.874 -0.551 1
1 228 . 5 1 1 A 29 29 ASP N N 29 121.000 125.940 -4.940 1
1 229 . 5 1 1 A 29 29 ASP CA C 29 50.779 52.170 -1.391 1
1 230 . 5 1 1 A 29 29 ASP C C 29 172.275 175.862 -3.587 1
1 231 . 5 1 1 A 29 29 ASP HA H 29 4.661 5.076 -0.415 1
1 234 . 5 1 1 A 30 30 ARG H H 30 8.342 8.956 -0.614 1
1 235 . 5 1 1 A 30 30 ARG N N 30 126.100 124.549 1.551 1
1 236 . 5 1 1 A 30 30 ARG CA C 30 54.924 56.212 -1.288 1
1 237 . 5 1 1 A 30 30 ARG CB C 30 28.367 30.678 -2.311 1
1 238 . 5 1 1 A 30 30 ARG C C 30 173.454 175.778 -2.324 1
1 239 . 5 1 1 A 30 30 ARG HA H 30 3.592 4.145 -0.553 1
1 243 . 5 1 1 A 31 31 SER H H 31 8.379 7.772 0.607 1
1 244 . 5 1 1 A 31 31 SER N N 31 113.600 114.536 -0.936 1
1 245 . 5 1 1 A 31 31 SER CA C 31 55.918 59.096 -3.178 1
1 246 . 5 1 1 A 31 31 SER CB C 31 61.807 61.477 0.330 1
1 247 . 5 1 1 A 31 31 SER C C 31 171.758 173.711 -1.953 1
1 248 . 5 1 1 A 31 31 SER HA H 31 4.397 3.920 0.477 1
1 251 . 5 1 1 A 32 32 ASP H H 32 7.105 7.718 -0.613 1
1 252 . 5 1 1 A 32 32 ASP N N 32 125.000 120.768 4.232 1
1 253 . 5 1 1 A 32 32 ASP CA C 32 53.116 52.961 0.155 1
1 254 . 5 1 1 A 32 32 ASP CB C 32 41.585 42.620 -1.035 1
1 255 . 5 1 1 A 32 32 ASP C C 32 174.497 176.824 -2.327 1
1 256 . 5 1 1 A 32 32 ASP HA H 32 4.276 4.721 -0.445 1
1 259 . 5 1 1 A 33 33 GLN H H 33 8.775 8.571 0.204 1
1 260 . 5 1 1 A 33 33 GLN N N 33 124.700 120.666 4.034 1
1 261 . 5 1 1 A 33 33 GLN CA C 33 55.127 55.470 -0.343 1
1 262 . 5 1 1 A 33 33 GLN CB C 33 26.601 28.027 -1.426 1
1 263 . 5 1 1 A 33 33 GLN C C 33 174.900 175.353 -0.453 1
1 264 . 5 1 1 A 33 33 GLN HA H 33 4.061 4.399 -0.338 1
1 271 . 5 1 1 A 34 34 HIS H H 34 9.681 7.883 1.798 1
1 272 . 5 1 1 A 34 34 HIS N N 34 116.700 117.685 -0.985 1
1 273 . 5 1 1 A 34 34 HIS CA C 34 55.739 55.989 -0.250 1
1 274 . 5 1 1 A 34 34 HIS CB C 34 26.065 31.593 -5.528 1
1 275 . 5 1 1 A 34 34 HIS C C 34 172.307 175.379 -3.072 1
1 276 . 5 1 1 A 34 34 HIS HA H 34 4.885 4.780 0.105 1
1 279 . 5 1 1 A 35 35 ILE H H 35 6.711 7.634 -0.923 1
1 280 . 5 1 1 A 35 35 ILE N N 35 108.600 118.849 -10.249 1
1 281 . 5 1 1 A 35 35 ILE CA C 35 58.395 61.692 -3.297 1
1 282 . 5 1 1 A 35 35 ILE CB C 35 35.989 38.138 -2.149 1
1 283 . 5 1 1 A 35 35 ILE C C 35 172.249 175.823 -3.574 1
1 284 . 5 1 1 A 35 35 ILE HA H 35 5.114 4.355 0.759 1
1 293 . 5 1 1 A 36 36 GLN H H 36 7.148 7.859 -0.711 1
1 294 . 5 1 1 A 36 36 GLN N N 36 120.018 119.131 0.887 1
1 295 . 5 1 1 A 36 36 GLN CA C 36 55.111 54.951 0.160 1
1 296 . 5 1 1 A 36 36 GLN CB C 36 25.190 29.927 -4.737 1
1 297 . 5 1 1 A 36 36 GLN C C 36 172.952 174.985 -2.033 1
1 298 . 5 1 1 A 36 36 GLN HA H 36 4.261 4.825 -0.564 1
1 305 . 5 1 1 A 37 37 LEU H H 37 9.110 8.905 0.205 1
1 306 . 5 1 1 A 37 37 LEU N N 37 127.600 123.207 4.393 1
1 307 . 5 1 1 A 37 37 LEU CA C 37 51.329 52.910 -1.581 1
1 308 . 5 1 1 A 37 37 LEU CB C 37 42.165 44.792 -2.627 1
1 309 . 5 1 1 A 37 37 LEU C C 37 172.877 174.888 -2.011 1
1 310 . 5 1 1 A 37 37 LEU HA H 37 5.315 5.134 0.181 1
1 319 . 5 1 1 A 38 38 GLN H H 38 9.556 9.451 0.105 1
1 320 . 5 1 1 A 38 38 GLN N N 38 120.583 121.607 -1.024 1
1 321 . 5 1 1 A 38 38 GLN CA C 38 51.810 54.986 -3.176 1
1 322 . 5 1 1 A 38 38 GLN CB C 38 29.259 29.777 -0.518 1
1 323 . 5 1 1 A 38 38 GLN C C 38 172.676 174.249 -1.573 1
1 324 . 5 1 1 A 38 38 GLN HA H 38 4.623 4.551 0.072 1
1 328 . 5 1 1 A 39 39 LEU H H 39 8.926 9.103 -0.177 1
1 329 . 5 1 1 A 39 39 LEU N N 39 131.700 129.314 2.386 1
1 330 . 5 1 1 A 39 39 LEU CA C 39 53.062 53.640 -0.578 1
1 331 . 5 1 1 A 39 39 LEU C C 39 174.601 175.370 -0.769 1
1 332 . 5 1 1 A 39 39 LEU HA H 39 5.506 4.916 0.590 1
1 341 . 5 1 1 A 40 40 SER H H 40 8.569 8.662 -0.093 1
1 342 . 5 1 1 A 40 40 SER N N 40 115.900 123.293 -7.393 1
1 343 . 5 1 1 A 40 40 SER CA C 40 54.925 57.473 -2.548 1
1 344 . 5 1 1 A 40 40 SER CB C 40 46.694 66.463 -19.769 1
1 345 . 5 1 1 A 40 40 SER C C 40 170.046 172.837 -2.791 1
1 346 . 5 1 1 A 40 40 SER HA H 40 4.676 5.247 -0.571 1
1 349 . 5 1 1 A 41 41 ALA H H 41 8.357 8.653 -0.296 1
1 350 . 5 1 1 A 41 41 ALA N N 41 125.900 124.953 0.947 1
1 351 . 5 1 1 A 41 41 ALA CA C 41 49.309 50.673 -1.364 1
1 352 . 5 1 1 A 41 41 ALA CB C 41 27.376 20.158 7.218 1
1 353 . 5 1 1 A 41 41 ALA C C 41 175.352 177.256 -1.904 1
1 354 . 5 1 1 A 41 41 ALA HA H 41 5.016 4.886 0.130 1
1 358 . 5 1 1 A 42 42 GLU H H 42 8.485 8.688 -0.203 1
1 359 . 5 1 1 A 42 42 GLU N N 42 125.400 123.581 1.819 1
1 360 . 5 1 1 A 42 42 GLU CA C 42 54.611 57.411 -2.800 1
1 361 . 5 1 1 A 42 42 GLU CB C 42 28.181 31.749 -3.568 1
1 362 . 5 1 1 A 42 42 GLU C C 42 174.014 176.397 -2.383 1
1 363 . 5 1 1 A 42 42 GLU HA H 42 4.444 4.603 -0.159 1
1 368 . 5 1 1 A 43 43 SER H H 43 8.020 7.854 0.166 1
1 369 . 5 1 1 A 43 43 SER N N 43 113.900 115.868 -1.968 1
1 370 . 5 1 1 A 43 43 SER CA C 43 55.014 57.416 -2.402 1
1 371 . 5 1 1 A 43 43 SER CB C 43 61.687 65.567 -3.880 1
1 372 . 5 1 1 A 43 43 SER C C 43 171.119 173.523 -2.404 1
1 373 . 5 1 1 A 43 43 SER HA H 43 4.516 4.805 -0.289 1
1 376 . 5 1 1 A 44 44 VAL H H 44 8.113 8.534 -0.421 1
1 377 . 5 1 1 A 44 44 VAL N N 44 121.100 124.089 -2.989 1
1 378 . 5 1 1 A 44 44 VAL CA C 44 62.838 63.714 -0.876 1
1 379 . 5 1 1 A 44 44 VAL CB C 44 28.991 31.337 -2.346 1
1 380 . 5 1 1 A 44 44 VAL C C 44 175.533 176.972 -1.439 1
1 381 . 5 1 1 A 44 44 VAL HA H 44 3.868 3.828 0.040 1
1 389 . 5 1 1 A 45 45 GLY H H 45 8.807 8.787 0.020 1
1 390 . 5 1 1 A 45 45 GLY N N 45 115.545 116.390 -0.845 1
1 391 . 5 1 1 A 45 45 GLY CA C 45 43.553 45.451 -1.898 1
1 392 . 5 1 1 A 45 45 GLY C C 45 170.948 173.393 -2.445 1
1 393 . 5 1 1 A 45 45 GLY HA3 H 45 4.296 3.956 0.340 1
1 394 . 5 1 1 A 45 45 GLY HA2 H 45 3.995 3.950 0.045 1
1 395 . 5 1 1 A 46 46 GLU H H 46 7.985 7.628 0.357 1
1 396 . 5 1 1 A 46 46 GLU N N 46 121.200 121.446 -0.246 1
1 397 . 5 1 1 A 46 46 GLU CA C 46 52.751 55.208 -2.457 1
1 398 . 5 1 1 A 46 46 GLU CB C 46 29.432 32.591 -3.159 1
1 399 . 5 1 1 A 46 46 GLU C C 46 173.583 175.503 -1.920 1
1 400 . 5 1 1 A 46 46 GLU HA H 46 5.442 4.843 0.599 1
1 405 . 5 1 1 A 47 47 VAL H H 47 9.560 9.530 0.030 1
1 406 . 5 1 1 A 47 47 VAL N N 47 116.400 120.944 -4.544 1
1 407 . 5 1 1 A 47 47 VAL CA C 47 56.846 59.823 -2.977 1
1 408 . 5 1 1 A 47 47 VAL CB C 47 33.714 34.888 -1.174 1
1 409 . 5 1 1 A 47 47 VAL C C 47 172.960 173.624 -0.664 1
1 410 . 5 1 1 A 47 47 VAL HA H 47 5.505 5.174 0.331 1
1 418 . 5 1 1 A 48 48 TYR H H 48 8.415 9.274 -0.859 1
1 419 . 5 1 1 A 48 48 TYR N N 48 117.400 126.005 -8.605 1
1 420 . 5 1 1 A 48 48 TYR CA C 48 54.331 55.817 -1.486 1
1 421 . 5 1 1 A 48 48 TYR CB C 48 39.296 41.652 -2.356 1
1 422 . 5 1 1 A 48 48 TYR C C 48 173.423 173.822 -0.399 1
1 423 . 5 1 1 A 48 48 TYR HA H 48 5.290 5.358 -0.068 1
1 426 . 5 1 1 A 49 49 ILE H H 49 10.532 8.918 1.614 1
1 427 . 5 1 1 A 49 49 ILE N N 49 123.100 128.325 -5.225 1
1 428 . 5 1 1 A 49 49 ILE CA C 49 59.573 60.028 -0.455 1
1 429 . 5 1 1 A 49 49 ILE CB C 49 40.504 38.517 1.987 1
1 430 . 5 1 1 A 49 49 ILE C C 49 170.853 175.220 -4.367 1
1 431 . 5 1 1 A 49 49 ILE HA H 49 4.341 4.568 -0.227 1
1 438 . 5 1 1 A 50 50 LYS H H 50 8.511 8.739 -0.228 1
1 439 . 5 1 1 A 50 50 LYS N N 50 125.800 124.936 0.864 1
1 440 . 5 1 1 A 50 50 LYS CA C 50 51.179 54.057 -2.878 1
1 441 . 5 1 1 A 50 50 LYS CB C 50 34.816 35.611 -0.795 1
1 442 . 5 1 1 A 50 50 LYS C C 50 173.759 175.045 -1.286 1
1 443 . 5 1 1 A 50 50 LYS HA H 50 4.991 4.756 0.235 1
1 451 . 5 1 1 A 51 51 SER H H 51 8.920 8.820 0.100 1
1 452 . 5 1 1 A 51 51 SER N N 51 117.579 114.139 3.440 1
1 453 . 5 1 1 A 51 51 SER CA C 51 55.043 57.620 -2.577 1
1 454 . 5 1 1 A 51 51 SER CB C 51 61.065 64.257 -3.192 1
1 455 . 5 1 1 A 51 51 SER C C 51 175.084 175.058 0.026 1
1 456 . 5 1 1 A 51 51 SER HA H 51 4.666 4.717 -0.051 1
1 459 . 5 1 1 A 52 52 THR H H 52 8.342 8.250 0.092 1
1 460 . 5 1 1 A 52 52 THR N N 52 123.200 117.216 5.984 1
1 461 . 5 1 1 A 52 52 THR CA C 52 62.792 64.688 -1.896 1
1 462 . 5 1 1 A 52 52 THR CB C 52 65.611 68.936 -3.325 1
1 463 . 5 1 1 A 52 52 THR C C 52 173.566 175.492 -1.926 1
1 464 . 5 1 1 A 52 52 THR HA H 52 3.996 4.014 -0.018 1
1 469 . 5 1 1 A 53 53 GLU H H 53 8.312 8.186 0.126 1
1 470 . 5 1 1 A 53 53 GLU N N 53 122.000 121.109 0.891 1
1 471 . 5 1 1 A 53 53 GLU CA C 53 55.889 57.794 -1.905 1
1 472 . 5 1 1 A 53 53 GLU CB C 53 28.359 30.748 -2.389 1
1 473 . 5 1 1 A 53 53 GLU C C 53 175.327 178.111 -2.784 1
1 474 . 5 1 1 A 53 53 GLU HA H 53 4.311 4.377 -0.066 1
1 477 . 5 1 1 A 54 54 THR H H 54 7.724 7.658 0.066 1
1 478 . 5 1 1 A 54 54 THR N N 54 103.100 108.286 -5.186 1
1 479 . 5 1 1 A 54 54 THR CA C 54 58.555 61.313 -2.758 1
1 480 . 5 1 1 A 54 54 THR CB C 54 69.030 69.093 -0.063 1
1 481 . 5 1 1 A 54 54 THR C C 54 173.942 175.710 -1.768 1
1 482 . 5 1 1 A 54 54 THR HA H 54 4.681 4.644 0.037 1
1 487 . 5 1 1 A 55 55 GLY H H 55 7.643 8.105 -0.462 1
1 488 . 5 1 1 A 55 55 GLY N N 55 110.700 111.159 -0.459 1
1 489 . 5 1 1 A 55 55 GLY CA C 55 43.594 45.753 -2.159 1
1 490 . 5 1 1 A 55 55 GLY HA3 H 55 4.150 3.972 0.178 1
1 491 . 5 1 1 A 55 55 GLY HA2 H 55 3.591 3.951 -0.360 1
1 492 . 5 1 1 A 55 55 GLY C C 55 170.694 174.311 -3.617 1
1 493 . 5 1 1 A 56 56 GLN H H 56 7.211 7.544 -0.333 1
1 494 . 5 1 1 A 56 56 GLN N N 56 115.700 113.452 2.248 1
1 495 . 5 1 1 A 56 56 GLN CA C 56 53.898 55.058 -1.160 1
1 496 . 5 1 1 A 56 56 GLN CB C 56 30.456 30.691 -0.235 1
1 497 . 5 1 1 A 56 56 GLN C C 56 172.141 172.670 -0.529 1
1 498 . 5 1 1 A 56 56 GLN HA H 56 4.311 4.841 -0.530 1
1 504 . 5 1 1 A 57 57 TYR H H 57 9.254 8.845 0.409 1
1 505 . 5 1 1 A 57 57 TYR N N 57 119.400 123.272 -3.872 1
1 506 . 5 1 1 A 57 57 TYR CA C 57 53.356 56.339 -2.983 1
1 507 . 5 1 1 A 57 57 TYR CB C 57 40.466 38.159 2.307 1
1 508 . 5 1 1 A 57 57 TYR C C 57 173.320 174.761 -1.441 1
1 509 . 5 1 1 A 57 57 TYR HA H 57 4.128 7.021 -2.893 1
1 512 . 5 1 1 A 58 58 LEU H H 58 9.126 7.517 1.609 1
1 513 . 5 1 1 A 58 58 LEU N N 58 123.600 123.093 0.507 1
1 514 . 5 1 1 A 58 58 LEU CA C 58 53.256 54.292 -1.036 1
1 515 . 5 1 1 A 58 58 LEU CB C 58 40.466 41.370 -0.904 1
1 516 . 5 1 1 A 58 58 LEU C C 58 172.320 175.684 -3.364 1
1 517 . 5 1 1 A 58 58 LEU HA H 58 4.128 4.220 -0.092 1
1 524 . 5 1 1 A 59 59 ALA H H 59 8.656 8.059 0.597 1
1 525 . 5 1 1 A 59 59 ALA N N 59 126.947 127.543 -0.596 1
1 526 . 5 1 1 A 59 59 ALA CA C 59 48.450 50.124 -1.674 1
1 527 . 5 1 1 A 59 59 ALA CB C 59 21.261 20.301 0.960 1
1 528 . 5 1 1 A 59 59 ALA C C 59 172.722 176.309 -3.587 1
1 529 . 5 1 1 A 59 59 ALA HA H 59 5.124 4.710 0.414 1
1 533 . 5 1 1 A 60 60 MET H H 60 7.521 8.725 -1.204 1
1 534 . 5 1 1 A 60 60 MET N N 60 116.602 122.561 -5.959 1
1 535 . 5 1 1 A 60 60 MET CA C 60 52.251 54.999 -2.748 1
1 536 . 5 1 1 A 60 60 MET CB C 60 35.046 33.899 1.147 1
1 537 . 5 1 1 A 60 60 MET C C 60 173.753 175.172 -1.419 1
1 538 . 5 1 1 A 60 60 MET HA H 60 5.527 4.809 0.718 1
1 543 . 5 1 1 A 61 61 ASP H H 61 9.159 9.271 -0.112 1
1 544 . 5 1 1 A 61 61 ASP N N 61 128.445 122.882 5.563 1
1 545 . 5 1 1 A 61 61 ASP CA C 61 51.480 52.288 -0.808 1
1 546 . 5 1 1 A 61 61 ASP CB C 61 39.346 42.824 -3.478 1
1 547 . 5 1 1 A 61 61 ASP C C 61 175.800 176.112 -0.312 1
1 548 . 5 1 1 A 61 61 ASP HA H 61 5.046 5.252 -0.206 1
1 551 . 5 1 1 A 62 62 THR H H 62 7.972 8.967 -0.995 1
1 552 . 5 1 1 A 62 62 THR N N 62 107.806 118.497 -10.691 1
1 553 . 5 1 1 A 62 62 THR CA C 62 62.626 63.517 -0.891 1
1 554 . 5 1 1 A 62 62 THR CB C 62 66.955 66.776 0.179 1
1 555 . 5 1 1 A 62 62 THR C C 62 172.355 174.578 -2.223 1
1 556 . 5 1 1 A 62 62 THR HA H 62 4.134 4.252 -0.118 1
1 561 . 5 1 1 A 63 63 ASP H H 63 8.333 8.630 -0.297 1
1 562 . 5 1 1 A 63 63 ASP N N 63 119.831 121.626 -1.795 1
1 563 . 5 1 1 A 63 63 ASP CA C 63 51.865 55.726 -3.861 1
1 564 . 5 1 1 A 63 63 ASP CB C 63 39.182 40.952 -1.770 1
1 565 . 5 1 1 A 63 63 ASP C C 63 174.438 177.394 -2.956 1
1 566 . 5 1 1 A 63 63 ASP HA H 63 4.964 4.540 0.424 1
1 569 . 5 1 1 A 64 64 GLY H H 64 8.264 8.247 0.017 1
1 570 . 5 1 1 A 64 64 GLY N N 64 109.142 106.993 2.149 1
1 571 . 5 1 1 A 64 64 GLY CA C 64 42.923 45.721 -2.798 1
1 572 . 5 1 1 A 64 64 GLY C C 64 171.248 173.605 -2.357 1
1 573 . 5 1 1 A 64 64 GLY HA3 H 64 3.652 3.848 -0.196 1
1 574 . 5 1 1 A 64 64 GLY HA2 H 64 3.397 3.593 -0.196 1
1 575 . 5 1 1 A 65 65 LEU H H 65 8.636 7.288 1.348 1
1 576 . 5 1 1 A 65 65 LEU N N 65 123.137 119.026 4.111 1
1 577 . 5 1 1 A 65 65 LEU CA C 65 52.224 53.380 -1.156 1
1 578 . 5 1 1 A 65 65 LEU CB C 65 40.557 46.862 -6.305 1
1 579 . 5 1 1 A 65 65 LEU C C 65 174.507 175.623 -1.116 1
1 580 . 5 1 1 A 65 65 LEU HA H 65 4.529 4.992 -0.463 1
1 590 . 5 1 1 A 66 66 LEU H H 66 7.431 8.350 -0.919 1
1 591 . 5 1 1 A 66 66 LEU N N 66 124.493 120.038 4.455 1
1 592 . 5 1 1 A 66 66 LEU CA C 66 51.635 53.334 -1.699 1
1 593 . 5 1 1 A 66 66 LEU CB C 66 40.474 44.931 -4.457 1
1 594 . 5 1 1 A 66 66 LEU C C 66 174.070 175.355 -1.285 1
1 595 . 5 1 1 A 66 66 LEU HA H 66 5.714 5.427 0.287 1
1 605 . 5 1 1 A 67 67 TYR H H 67 9.237 8.775 0.462 1
1 606 . 5 1 1 A 67 67 TYR N N 67 120.360 117.666 2.694 1
1 607 . 5 1 1 A 67 67 TYR CA C 67 54.076 55.042 -0.966 1
1 608 . 5 1 1 A 67 67 TYR CB C 67 38.903 42.205 -3.302 1
1 609 . 5 1 1 A 67 67 TYR C C 67 169.640 174.102 -4.462 1
1 610 . 5 1 1 A 67 67 TYR HA H 67 5.023 5.940 -0.917 1
1 612 . 5 1 1 A 68 68 GLY H H 68 8.928 8.476 0.452 1
1 613 . 5 1 1 A 68 68 GLY N N 68 105.646 106.664 -1.018 1
1 614 . 5 1 1 A 68 68 GLY CA C 68 41.569 45.801 -4.232 1
1 615 . 5 1 1 A 68 68 GLY C C 68 170.551 173.107 -2.556 1
1 616 . 5 1 1 A 68 68 GLY HA2 H 68 4.676 4.312 0.364 1
1 617 . 5 1 1 A 69 69 SER H H 69 9.608 8.767 0.841 1
1 618 . 5 1 1 A 69 69 SER N N 69 120.100 115.032 5.068 1
1 619 . 5 1 1 A 69 69 SER CA C 69 53.737 59.415 -5.678 1
1 620 . 5 1 1 A 69 69 SER CB C 69 63.042 65.300 -2.258 1
1 621 . 5 1 1 A 69 69 SER C C 69 174.219 175.709 -1.490 1
1 622 . 5 1 1 A 69 69 SER HA H 69 4.966 4.699 0.267 1
1 625 . 5 1 1 A 70 70 GLN H H 70 9.343 8.196 1.147 1
1 626 . 5 1 1 A 70 70 GLN N N 70 127.339 120.252 7.087 1
1 627 . 5 1 1 A 70 70 GLN CA C 70 56.139 57.673 -1.534 1
1 628 . 5 1 1 A 70 70 GLN CB C 70 27.092 30.010 -2.918 1
1 629 . 5 1 1 A 70 70 GLN C C 70 173.241 175.651 -2.410 1
1 630 . 5 1 1 A 70 70 GLN HA H 70 4.286 4.221 0.065 1
1 638 . 5 1 1 A 71 71 THR H H 71 7.532 8.272 -0.740 1
1 639 . 5 1 1 A 71 71 THR N N 71 108.100 109.313 -1.213 1
1 640 . 5 1 1 A 71 71 THR CA C 71 55.203 58.869 -3.666 1
1 641 . 5 1 1 A 71 71 THR HA H 71 4.780 5.096 -0.316 1
1 643 . 5 1 1 A 72 72 PRO CA C 72 60.050 62.185 -2.135 1
1 644 . 5 1 1 A 72 72 PRO CB C 72 26.678 31.729 -5.051 1
1 645 . 5 1 1 A 72 72 PRO C C 72 172.920 175.987 -3.067 1
1 646 . 5 1 1 A 72 72 PRO HA H 72 4.173 4.965 -0.792 1
1 649 . 5 1 1 A 73 73 ASN H H 73 7.321 8.570 -1.249 1
1 650 . 5 1 1 A 73 73 ASN N N 73 119.200 120.450 -1.250 1
1 651 . 5 1 1 A 73 73 ASN CA C 73 49.994 51.957 -1.963 1
1 652 . 5 1 1 A 74 74 GLU H H 74 9.030 8.690 0.340 1
1 653 . 5 1 1 A 74 74 GLU CA C 74 57.131 55.157 1.974 1
1 654 . 5 1 1 A 74 74 GLU CB C 74 27.005 29.954 -2.949 1
1 655 . 5 1 1 A 74 74 GLU C C 74 176.352 175.914 0.438 1
1 656 . 5 1 1 A 74 74 GLU HA H 74 4.130 4.772 -0.642 1
1 661 . 5 1 1 A 75 75 GLU H H 75 8.574 8.875 -0.301 1
1 662 . 5 1 1 A 75 75 GLU N N 75 119.200 124.150 -4.950 1
1 663 . 5 1 1 A 75 75 GLU CA C 75 56.343 57.016 -0.673 1
1 664 . 5 1 1 A 75 75 GLU CB C 75 26.028 32.271 -6.243 1
1 665 . 5 1 1 A 75 75 GLU C C 75 173.866 177.048 -3.182 1
1 666 . 5 1 1 A 75 75 GLU HA H 75 4.206 4.569 -0.363 1
1 671 . 5 1 1 A 76 76 CYS H H 76 7.727 7.695 0.032 1
1 672 . 5 1 1 A 76 76 CYS N N 76 113.800 117.340 -3.540 1
1 673 . 5 1 1 A 76 76 CYS CA C 76 55.635 57.918 -2.283 1
1 674 . 5 1 1 A 76 76 CYS CB C 76 26.036 27.078 -1.042 1
1 675 . 5 1 1 A 76 76 CYS C C 76 170.849 173.601 -2.752 1
1 676 . 5 1 1 A 76 76 CYS HA H 76 5.426 4.236 1.190 1
1 679 . 5 1 1 A 77 77 LEU H H 77 6.241 7.133 -0.892 1
1 680 . 5 1 1 A 77 77 LEU N N 77 118.069 122.338 -4.269 1
1 681 . 5 1 1 A 77 77 LEU CA C 77 51.793 55.218 -3.425 1
1 682 . 5 1 1 A 77 77 LEU CB C 77 42.123 42.111 0.012 1
1 683 . 5 1 1 A 77 77 LEU C C 77 173.882 176.406 -2.524 1
1 684 . 5 1 1 A 77 77 LEU HA H 77 4.555 3.962 0.593 1
1 694 . 5 1 1 A 78 78 PHE H H 78 9.067 8.847 0.220 1
1 695 . 5 1 1 A 78 78 PHE N N 78 122.377 123.000 -0.623 1
1 696 . 5 1 1 A 78 78 PHE CA C 78 54.917 56.303 -1.386 1
1 697 . 5 1 1 A 78 78 PHE CB C 78 40.597 43.788 -3.191 1
1 698 . 5 1 1 A 78 78 PHE C C 78 171.853 174.474 -2.621 1
1 699 . 5 1 1 A 78 78 PHE HA H 78 5.169 5.157 0.012 1
1 702 . 5 1 1 A 79 79 LEU H H 79 9.958 9.109 0.849 1
1 703 . 5 1 1 A 79 79 LEU N N 79 122.126 123.013 -0.887 1
1 704 . 5 1 1 A 79 79 LEU CA C 79 51.232 54.105 -2.873 1
1 705 . 5 1 1 A 79 79 LEU CB C 79 38.511 44.986 -6.475 1
1 706 . 5 1 1 A 79 79 LEU C C 79 173.055 174.918 -1.863 1
1 707 . 5 1 1 A 79 79 LEU HA H 79 4.686 5.200 -0.514 1
1 713 . 5 1 1 A 80 80 GLU H H 80 8.347 9.596 -1.249 1
1 714 . 5 1 1 A 80 80 GLU N N 80 126.300 127.979 -1.679 1
1 715 . 5 1 1 A 80 80 GLU CA C 80 52.558 55.188 -2.630 1
1 716 . 5 1 1 A 80 80 GLU CB C 80 30.892 31.679 -0.787 1
1 717 . 5 1 1 A 80 80 GLU C C 80 173.355 174.873 -1.518 1
1 718 . 5 1 1 A 80 80 GLU HA H 80 4.832 4.913 -0.081 1
1 721 . 5 1 1 A 81 81 ARG H H 81 8.840 8.739 0.101 1
1 722 . 5 1 1 A 81 81 ARG N N 81 129.522 128.142 1.380 1
1 723 . 5 1 1 A 81 81 ARG CA C 81 52.288 54.550 -2.262 1
1 724 . 5 1 1 A 81 81 ARG CB C 81 38.588 33.182 5.406 1
1 725 . 5 1 1 A 81 81 ARG C C 81 172.258 174.858 -2.600 1
1 726 . 5 1 1 A 81 81 ARG HA H 81 4.659 4.880 -0.221 1
1 732 . 5 1 1 A 82 82 LEU H H 82 8.347 9.035 -0.688 1
1 733 . 5 1 1 A 82 82 LEU N N 82 125.700 127.752 -2.052 1
1 734 . 5 1 1 A 82 82 LEU CA C 82 52.631 54.047 -1.416 1
1 735 . 5 1 1 A 82 82 LEU CB C 82 40.304 42.536 -2.232 1
1 736 . 5 1 1 A 82 82 LEU C C 82 174.567 176.382 -1.815 1
1 737 . 5 1 1 A 82 82 LEU HA H 82 4.875 4.880 -0.005 1
1 744 . 5 1 1 A 83 83 GLU H H 83 9.064 8.292 0.772 1
1 745 . 5 1 1 A 83 83 GLU N N 83 125.600 125.120 0.480 1
1 746 . 5 1 1 A 83 83 GLU CA C 83 51.723 55.441 -3.718 1
1 747 . 5 1 1 A 83 83 GLU CB C 83 43.703 30.941 12.762 1
1 748 . 5 1 1 A 83 83 GLU C C 83 174.885 175.911 -1.026 1
1 749 . 5 1 1 A 83 83 GLU HA H 83 4.974 4.553 0.421 1
1 752 . 5 1 1 A 84 84 GLU H H 84 8.806 8.381 0.425 1
1 753 . 5 1 1 A 84 84 GLU N N 84 120.300 122.364 -2.064 1
1 754 . 5 1 1 A 84 84 GLU CA C 84 55.553 54.933 0.620 1
1 755 . 5 1 1 A 84 84 GLU CB C 84 27.117 29.704 -2.587 1
1 756 . 5 1 1 A 84 84 GLU C C 84 174.261 175.672 -1.411 1
1 757 . 5 1 1 A 84 84 GLU HA H 84 4.112 4.259 -0.147 1
1 761 . 5 1 1 A 85 85 ASN H H 85 8.429 8.628 -0.199 1
1 762 . 5 1 1 A 85 85 ASN N N 85 114.800 123.972 -9.172 1
1 763 . 5 1 1 A 85 85 ASN CA C 85 51.788 54.243 -2.455 1
1 764 . 5 1 1 A 85 85 ASN CB C 85 35.301 36.806 -1.505 1
1 765 . 5 1 1 A 85 85 ASN C C 85 172.203 174.494 -2.291 1
1 766 . 5 1 1 A 85 85 ASN HA H 85 4.343 4.266 0.077 1
1 769 . 5 1 1 A 86 86 HIS H H 86 8.081 8.050 0.031 1
1 770 . 5 1 1 A 86 86 HIS N N 86 108.737 112.743 -4.006 1
1 771 . 5 1 1 A 86 86 HIS CA C 86 55.255 55.121 0.134 1
1 772 . 5 1 1 A 86 86 HIS CB C 86 24.858 31.960 -7.102 1
1 773 . 5 1 1 A 86 86 HIS C C 86 171.039 174.529 -3.490 1
1 774 . 5 1 1 A 86 86 HIS HA H 86 4.260 4.693 -0.433 1
1 777 . 5 1 1 A 87 87 TYR H H 87 7.592 7.901 -0.309 1
1 778 . 5 1 1 A 87 87 TYR N N 87 117.738 118.520 -0.782 1
1 779 . 5 1 1 A 87 87 TYR CA C 87 56.163 56.377 -0.214 1
1 780 . 5 1 1 A 87 87 TYR CB C 87 38.643 42.791 -4.148 1
1 781 . 5 1 1 A 87 87 TYR C C 87 171.983 174.408 -2.425 1
1 782 . 5 1 1 A 87 87 TYR HA H 87 4.836 5.149 -0.313 1
1 784 . 5 1 1 A 88 88 ASN H H 88 9.840 9.137 0.703 1
1 785 . 5 1 1 A 88 88 ASN N N 88 118.891 119.800 -0.909 1
1 786 . 5 1 1 A 88 88 ASN CA C 88 50.063 51.884 -1.821 1
1 787 . 5 1 1 A 88 88 ASN CB C 88 40.242 41.189 -0.947 1
1 788 . 5 1 1 A 88 88 ASN C C 88 172.471 174.221 -1.750 1
1 789 . 5 1 1 A 88 88 ASN HA H 88 5.837 5.637 0.200 1
1 795 . 5 1 1 A 89 89 THR H H 89 8.380 8.565 -0.185 1
1 796 . 5 1 1 A 89 89 THR N N 89 108.521 116.937 -8.416 1
1 797 . 5 1 1 A 89 89 THR CA C 89 57.357 60.146 -2.789 1
1 798 . 5 1 1 A 89 89 THR CB C 89 70.868 72.484 -1.616 1
1 799 . 5 1 1 A 89 89 THR C C 89 170.548 172.278 -1.730 1
1 800 . 5 1 1 A 89 89 THR HA H 89 5.127 5.217 -0.090 1
1 805 . 5 1 1 A 90 90 TYR H H 90 10.247 8.861 1.386 1
1 806 . 5 1 1 A 90 90 TYR N N 90 119.000 121.373 -2.373 1
1 807 . 5 1 1 A 90 90 TYR CA C 90 55.106 56.106 -1.000 1
1 808 . 5 1 1 A 90 90 TYR CB C 90 39.047 42.618 -3.571 1
1 809 . 5 1 1 A 90 90 TYR C C 90 172.442 174.865 -2.423 1
1 810 . 5 1 1 A 90 90 TYR HA H 90 5.472 5.305 0.167 1
1 812 . 5 1 1 A 91 91 ILE H H 91 8.781 9.431 -0.650 1
1 813 . 5 1 1 A 91 91 ILE N N 91 122.546 121.659 0.887 1
1 814 . 5 1 1 A 91 91 ILE CA C 91 56.346 59.396 -3.050 1
1 815 . 5 1 1 A 91 91 ILE CB C 91 36.627 41.702 -5.075 1
1 816 . 5 1 1 A 91 91 ILE C C 91 172.924 174.710 -1.786 1
1 817 . 5 1 1 A 91 91 ILE HA H 91 4.673 5.084 -0.411 1
1 826 . 5 1 1 A 92 92 SER H H 92 8.191 8.865 -0.674 1
1 827 . 5 1 1 A 92 92 SER N N 92 120.200 122.877 -2.677 1
1 828 . 5 1 1 A 92 92 SER CA C 92 55.781 58.505 -2.724 1
1 829 . 5 1 1 A 92 92 SER CB C 92 62.382 62.855 -0.473 1
1 830 . 5 1 1 A 92 92 SER C C 92 172.863 174.375 -1.512 1
1 831 . 5 1 1 A 92 92 SER HA H 92 4.016 4.793 -0.777 1
1 833 . 5 1 1 A 93 93 LYS H H 93 7.993 9.162 -1.169 1
1 834 . 5 1 1 A 93 93 LYS N N 93 130.618 127.361 3.257 1
1 835 . 5 1 1 A 93 93 LYS CA C 93 57.942 58.450 -0.508 1
1 836 . 5 1 1 A 93 93 LYS CB C 93 30.889 32.427 -1.538 1
1 837 . 5 1 1 A 93 93 LYS C C 93 176.938 178.574 -1.636 1
1 838 . 5 1 1 A 93 93 LYS HA H 93 3.779 4.324 -0.545 1
1 844 . 5 1 1 A 94 94 LYS H H 94 8.616 8.030 0.586 1
1 845 . 5 1 1 A 94 94 LYS N N 94 120.044 120.456 -0.412 1
1 846 . 5 1 1 A 94 94 LYS CA C 94 55.868 58.804 -2.936 1
1 847 . 5 1 1 A 94 94 LYS CB C 94 30.329 32.910 -2.581 1
1 848 . 5 1 1 A 94 94 LYS C C 94 174.491 177.976 -3.485 1
1 849 . 5 1 1 A 94 94 LYS HA H 94 3.851 4.135 -0.284 1
1 856 . 5 1 1 A 95 95 HIS H H 95 7.249 9.275 -2.026 1
1 857 . 5 1 1 A 95 95 HIS N N 95 114.486 116.430 -1.944 1
1 858 . 5 1 1 A 95 95 HIS CA C 95 51.180 54.502 -3.322 1
1 859 . 5 1 1 A 95 95 HIS CB C 95 26.844 27.977 -1.133 1
1 860 . 5 1 1 A 95 95 HIS C C 95 173.734 175.776 -2.042 1
1 861 . 5 1 1 A 95 95 HIS HA H 95 4.604 5.033 -0.429 1
1 864 . 5 1 1 A 96 96 ALA H H 96 7.104 7.939 -0.835 1
1 865 . 5 1 1 A 96 96 ALA N N 96 125.204 123.947 1.257 1
1 866 . 5 1 1 A 96 96 ALA CA C 96 53.758 55.346 -1.588 1
1 867 . 5 1 1 A 96 96 ALA CB C 96 16.578 18.420 -1.842 1
1 868 . 5 1 1 A 96 96 ALA C C 96 178.508 179.356 -0.848 1
1 869 . 5 1 1 A 96 96 ALA HA H 96 4.131 3.902 0.229 1
1 873 . 5 1 1 A 97 97 GLU H H 97 8.857 8.273 0.584 1
1 874 . 5 1 1 A 97 97 GLU N N 97 118.007 116.201 1.806 1
1 875 . 5 1 1 A 97 97 GLU CA C 97 56.153 57.834 -1.681 1
1 876 . 5 1 1 A 97 97 GLU CB C 97 26.241 28.869 -2.628 1
1 877 . 5 1 1 A 97 97 GLU C C 97 174.813 176.974 -2.161 1
1 878 . 5 1 1 A 97 97 GLU HA H 97 4.063 4.134 -0.071 1
1 882 . 5 1 1 A 98 98 LYS H H 98 7.116 7.391 -0.275 1
1 883 . 5 1 1 A 98 98 LYS N N 98 116.241 117.752 -1.511 1
1 884 . 5 1 1 A 98 98 LYS CA C 98 52.852 55.884 -3.032 1
1 885 . 5 1 1 A 98 98 LYS CB C 98 29.959 32.108 -2.149 1
1 886 . 5 1 1 A 98 98 LYS C C 98 173.361 175.584 -2.223 1
1 887 . 5 1 1 A 98 98 LYS HA H 98 4.280 4.268 0.012 1
1 893 . 5 1 1 A 99 99 ASN H H 99 7.842 7.928 -0.086 1
1 894 . 5 1 1 A 99 99 ASN N N 99 113.000 114.248 -1.248 1
1 895 . 5 1 1 A 99 99 ASN CA C 99 52.240 54.511 -2.271 1
1 896 . 5 1 1 A 99 99 ASN CB C 99 35.289 36.968 -1.679 1
1 897 . 5 1 1 A 99 99 ASN C C 99 170.506 174.563 -4.057 1
1 898 . 5 1 1 A 99 99 ASN HA H 99 3.772 4.361 -0.589 1
1 904 . 5 1 1 A 100 100 TRP H H 100 6.369 7.335 -0.966 1
1 905 . 5 1 1 A 100 100 TRP N N 100 116.000 119.872 -3.872 1
1 906 . 5 1 1 A 100 100 TRP CA C 100 53.179 57.831 -4.652 1
1 907 . 5 1 1 A 100 100 TRP CB C 100 28.228 30.305 -2.077 1
1 908 . 5 1 1 A 100 100 TRP C C 100 171.701 176.310 -4.609 1
1 909 . 5 1 1 A 100 100 TRP HA H 100 4.816 4.753 0.063 1
1 912 . 5 1 1 A 101 101 PHE H H 101 8.026 8.908 -0.882 1
1 913 . 5 1 1 A 101 101 PHE N N 101 124.185 121.897 2.288 1
1 914 . 5 1 1 A 101 101 PHE CA C 101 55.472 57.280 -1.808 1
1 915 . 5 1 1 A 101 101 PHE CB C 101 39.220 41.011 -1.791 1
1 916 . 5 1 1 A 101 101 PHE C C 101 175.044 174.950 0.094 1
1 917 . 5 1 1 A 101 101 PHE HA H 101 5.373 5.100 0.273 1
1 920 . 5 1 1 A 102 102 VAL H H 102 8.499 8.952 -0.453 1
1 921 . 5 1 1 A 102 102 VAL N N 102 120.282 121.158 -0.876 1
1 922 . 5 1 1 A 102 102 VAL CA C 102 60.975 60.304 0.671 1
1 923 . 5 1 1 A 102 102 VAL CB C 102 30.243 33.663 -3.420 1
1 924 . 5 1 1 A 102 102 VAL C C 102 174.220 174.693 -0.473 1
1 925 . 5 1 1 A 102 102 VAL HA H 102 3.939 4.780 -0.841 1
1 930 . 5 1 1 A 103 103 GLY H H 103 8.996 8.758 0.238 1
1 931 . 5 1 1 A 103 103 GLY N N 103 114.668 115.591 -0.923 1
1 932 . 5 1 1 A 103 103 GLY CA C 103 43.802 44.785 -0.983 1
1 933 . 5 1 1 A 103 103 GLY C C 103 169.388 172.517 -3.129 1
1 934 . 5 1 1 A 103 103 GLY HA2 H 103 5.275 4.443 0.832 1
1 935 . 5 1 1 A 103 103 GLY HA3 H 103 3.180 4.790 -1.610 1
1 936 . 5 1 1 A 104 104 LEU H H 104 8.118 8.474 -0.356 1
1 937 . 5 1 1 A 104 104 LEU N N 104 119.100 122.045 -2.945 1
1 938 . 5 1 1 A 104 104 LEU CA C 104 51.207 52.360 -1.153 1
1 939 . 5 1 1 A 104 104 LEU CB C 104 43.579 45.400 -1.821 1
1 940 . 5 1 1 A 104 104 LEU C C 104 174.252 174.641 -0.389 1
1 941 . 5 1 1 A 104 104 LEU HA H 104 4.959 5.029 -0.070 1
1 950 . 5 1 1 A 105 105 LYS H H 105 8.847 8.724 0.123 1
1 951 . 5 1 1 A 105 105 LYS N N 105 118.900 122.515 -3.615 1
1 952 . 5 1 1 A 105 105 LYS CA C 105 54.035 55.343 -1.308 1
1 953 . 5 1 1 A 105 105 LYS C C 105 176.404 176.600 -0.196 1
1 954 . 5 1 1 A 105 105 LYS HA H 105 4.215 4.350 -0.135 1
1 960 . 5 1 1 A 106 106 LYS H H 106 8.980 7.995 0.985 1
1 961 . 5 1 1 A 106 106 LYS N N 106 122.172 124.518 -2.346 1
1 962 . 5 1 1 A 106 106 LYS CA C 106 57.672 58.737 -1.065 1
1 963 . 5 1 1 A 106 106 LYS CB C 106 29.780 31.843 -2.063 1
1 964 . 5 1 1 A 106 106 LYS C C 106 174.499 178.868 -4.369 1
1 965 . 5 1 1 A 106 106 LYS HA H 106 3.624 4.002 -0.378 1
1 970 . 5 1 1 A 107 107 ASN H H 107 7.352 7.682 -0.330 1
1 971 . 5 1 1 A 107 107 ASN N N 107 112.743 118.110 -5.367 1
1 972 . 5 1 1 A 107 107 ASN CA C 107 49.523 55.337 -5.814 1
1 973 . 5 1 1 A 107 107 ASN CB C 107 35.121 38.089 -2.968 1
1 974 . 5 1 1 A 107 107 ASN C C 107 174.511 176.872 -2.361 1
1 975 . 5 1 1 A 107 107 ASN HA H 107 4.678 4.511 0.167 1
1 978 . 5 1 1 A 108 108 GLY H H 108 7.656 7.718 -0.062 1
1 979 . 5 1 1 A 108 108 GLY N N 108 109.900 107.750 2.150 1
1 980 . 5 1 1 A 108 108 GLY CA C 108 42.207 45.735 -3.528 1
1 981 . 5 1 1 A 108 108 GLY C C 108 169.305 173.924 -4.619 1
1 982 . 5 1 1 A 108 108 GLY HA3 H 108 3.358 4.094 -0.736 1
1 983 . 5 1 1 A 108 108 GLY HA2 H 108 2.111 4.041 -1.930 1
1 984 . 5 1 1 A 109 109 SER H H 109 7.280 7.942 -0.662 1
1 985 . 5 1 1 A 109 109 SER N N 109 112.357 110.803 1.554 1
1 986 . 5 1 1 A 109 109 SER CA C 109 55.139 57.290 -2.151 1
1 987 . 5 1 1 A 109 109 SER CB C 109 62.749 65.950 -3.201 1
1 988 . 5 1 1 A 109 109 SER C C 109 171.244 172.499 -1.255 1
1 989 . 5 1 1 A 109 109 SER HA H 109 4.755 4.960 -0.205 1
1 992 . 5 1 1 A 110 110 CYS H H 110 9.070 8.454 0.616 1
1 993 . 5 1 1 A 110 110 CYS N N 110 119.883 120.716 -0.833 1
1 994 . 5 1 1 A 110 110 CYS CA C 110 57.858 57.291 0.567 1
1 995 . 5 1 1 A 110 110 CYS CB C 110 37.322 28.896 8.426 1
1 996 . 5 1 1 A 110 110 CYS C C 110 172.131 173.883 -1.752 1
1 997 . 5 1 1 A 110 110 CYS HA H 110 4.296 5.020 -0.724 1
1 1000 . 5 1 1 A 111 111 LYS H H 111 8.095 8.816 -0.721 1
1 1001 . 5 1 1 A 111 111 LYS N N 111 128.642 126.383 2.259 1
1 1002 . 5 1 1 A 111 111 LYS CA C 111 52.117 54.528 -2.411 1
1 1003 . 5 1 1 A 111 111 LYS CB C 111 30.980 34.569 -3.589 1
1 1004 . 5 1 1 A 111 111 LYS C C 111 172.265 175.589 -3.324 1
1 1005 . 5 1 1 A 111 111 LYS HA H 111 4.380 5.017 -0.637 1
1 1010 . 5 1 1 A 112 112 ARG H H 112 8.566 8.832 -0.266 1
1 1011 . 5 1 1 A 112 112 ARG N N 112 124.700 124.440 0.260 1
1 1012 . 5 1 1 A 112 112 ARG CA C 112 54.295 55.111 -0.816 1
1 1013 . 5 1 1 A 112 112 ARG CB C 112 28.927 31.102 -2.175 1
1 1014 . 5 1 1 A 112 112 ARG C C 112 175.240 175.736 -0.496 1
1 1015 . 5 1 1 A 112 112 ARG HA H 112 4.252 4.708 -0.456 1
1 1021 . 5 1 1 A 113 113 GLY H H 113 9.408 8.224 1.184 1
1 1022 . 5 1 1 A 113 113 GLY N N 113 106.636 111.501 -4.865 1
1 1023 . 5 1 1 A 113 113 GLY CA C 113 44.552 45.004 -0.452 1
1 1024 . 5 1 1 A 113 113 GLY C C 113 169.610 172.879 -3.269 1
1 1025 . 5 1 1 A 113 113 GLY HA2 H 113 1.510 3.320 -1.810 1
1 1026 . 5 1 1 A 114 114 PRO CA C 114 62.529 65.117 -2.588 1
1 1027 . 5 1 1 A 114 114 PRO C C 114 174.543 177.424 -2.881 1
1 1028 . 5 1 1 A 114 114 PRO HA H 114 4.321 4.098 0.223 1
1 1033 . 5 1 1 A 115 115 ARG H H 115 8.067 8.669 -0.602 1
1 1034 . 5 1 1 A 115 115 ARG N N 115 114.500 115.893 -1.393 1
1 1035 . 5 1 1 A 115 115 ARG CA C 115 52.011 56.372 -4.361 1
1 1036 . 5 1 1 A 115 115 ARG CB C 115 27.143 30.006 -2.863 1
1 1037 . 5 1 1 A 115 115 ARG C C 115 174.680 176.829 -2.149 1
1 1038 . 5 1 1 A 115 115 ARG HA H 115 4.508 4.221 0.287 1
1 1043 . 5 1 1 A 116 116 THR H H 116 7.643 7.382 0.261 1
1 1044 . 5 1 1 A 116 116 THR N N 116 111.716 110.747 0.969 1
1 1045 . 5 1 1 A 116 116 THR CA C 116 58.712 62.831 -4.119 1
1 1046 . 5 1 1 A 116 116 THR CB C 116 70.086 69.372 0.714 1
1 1047 . 5 1 1 A 116 116 THR C C 116 172.573 174.870 -2.297 1
1 1048 . 5 1 1 A 116 116 THR HA H 116 5.198 4.236 0.962 1
1 1053 . 5 1 1 A 117 117 HIS H H 117 7.091 7.646 -0.555 1
1 1054 . 5 1 1 A 117 117 HIS N N 117 112.914 119.549 -6.635 1
1 1055 . 5 1 1 A 117 117 HIS CA C 117 53.291 54.972 -1.681 1
1 1056 . 5 1 1 A 117 117 HIS CB C 117 29.133 31.562 -2.429 1
1 1057 . 5 1 1 A 117 117 HIS C C 117 170.344 174.295 -3.951 1
1 1058 . 5 1 1 A 117 117 HIS HA H 117 4.868 3.538 1.330 1
1 1061 . 5 1 1 A 118 118 TYR H H 118 9.020 8.614 0.406 1
1 1062 . 5 1 1 A 118 118 TYR N N 118 123.051 120.481 2.570 1
1 1063 . 5 1 1 A 118 118 TYR CA C 118 58.801 56.336 2.465 1
1 1064 . 5 1 1 A 118 118 TYR CB C 118 29.959 37.635 -7.676 1
1 1065 . 5 1 1 A 118 118 TYR C C 118 174.446 174.844 -0.398 1
1 1066 . 5 1 1 A 118 118 TYR HA H 118 3.897 4.408 -0.511 1
1 1069 . 5 1 1 A 119 119 GLY H H 119 7.999 8.740 -0.741 1
1 1070 . 5 1 1 A 119 119 GLY N N 119 116.885 112.737 4.148 1
1 1071 . 5 1 1 A 119 119 GLY CA C 119 42.599 45.452 -2.853 1
1 1072 . 5 1 1 A 119 119 GLY C C 119 172.439 173.739 -1.300 1
1 1073 . 5 1 1 A 119 119 GLY HA3 H 119 4.385 3.603 0.782 1
1 1074 . 5 1 1 A 119 119 GLY HA2 H 119 3.296 3.499 -0.203 1
1 1075 . 5 1 1 A 120 120 GLN H H 120 7.003 7.486 -0.483 1
1 1076 . 5 1 1 A 120 120 GLN N N 120 118.266 118.759 -0.493 1
1 1077 . 5 1 1 A 120 120 GLN CA C 120 52.617 54.049 -1.432 1
1 1078 . 5 1 1 A 120 120 GLN CB C 120 27.324 31.896 -4.572 1
1 1079 . 5 1 1 A 120 120 GLN C C 120 174.995 175.136 -0.141 1
1 1080 . 5 1 1 A 120 120 GLN HA H 120 4.262 4.723 -0.461 1
1 1083 . 5 1 1 A 121 121 LYS H H 121 8.477 8.660 -0.183 1
1 1084 . 5 1 1 A 121 121 LYS N N 121 121.222 126.640 -5.418 1
1 1085 . 5 1 1 A 121 121 LYS CA C 121 56.243 56.947 -0.704 1
1 1086 . 5 1 1 A 121 121 LYS CB C 121 29.598 32.444 -2.846 1
1 1087 . 5 1 1 A 121 121 LYS C C 121 172.702 177.878 -5.176 1
1 1088 . 5 1 1 A 121 121 LYS HA H 121 3.809 4.186 -0.377 1
1 1093 . 5 1 1 A 122 122 ALA H H 122 7.526 7.511 0.015 1
1 1094 . 5 1 1 A 122 122 ALA N N 122 116.019 121.526 -5.507 1
1 1095 . 5 1 1 A 122 122 ALA CA C 122 52.338 53.505 -1.167 1
1 1096 . 5 1 1 A 122 122 ALA CB C 122 18.675 18.180 0.495 1
1 1097 . 5 1 1 A 122 122 ALA C C 122 172.756 177.511 -4.755 1
1 1098 . 5 1 1 A 122 122 ALA HA H 122 3.947 4.541 -0.594 1
1 1102 . 5 1 1 A 123 123 ILE H H 123 5.794 7.482 -1.688 1
1 1103 . 5 1 1 A 123 123 ILE N N 123 101.200 114.256 -13.056 1
1 1104 . 5 1 1 A 123 123 ILE CA C 123 57.297 61.153 -3.856 1
1 1105 . 5 1 1 A 123 123 ILE CB C 123 35.425 37.771 -2.346 1
1 1106 . 5 1 1 A 123 123 ILE C C 123 172.790 174.842 -2.052 1
1 1107 . 5 1 1 A 123 123 ILE HA H 123 5.184 4.239 0.945 1
1 1116 . 5 1 1 A 124 124 LEU H H 124 6.716 7.224 -0.508 1
1 1117 . 5 1 1 A 124 124 LEU N N 124 121.554 122.892 -1.338 1
1 1118 . 5 1 1 A 124 124 LEU CA C 124 51.686 53.514 -1.828 1
1 1119 . 5 1 1 A 124 124 LEU CB C 124 39.622 41.548 -1.926 1
1 1120 . 5 1 1 A 124 124 LEU C C 124 173.411 175.198 -1.787 1
1 1121 . 5 1 1 A 124 124 LEU HA H 124 4.597 4.490 0.107 1
1 1130 . 5 1 1 A 125 125 PHE H H 125 9.226 9.385 -0.159 1
1 1131 . 5 1 1 A 125 125 PHE N N 125 121.900 124.730 -2.830 1
1 1132 . 5 1 1 A 125 125 PHE CA C 125 54.604 57.205 -2.601 1
1 1133 . 5 1 1 A 125 125 PHE CB C 125 41.692 41.431 0.261 1
1 1134 . 5 1 1 A 125 125 PHE C C 125 172.768 175.051 -2.283 1
1 1135 . 5 1 1 A 125 125 PHE HA H 125 5.612 5.078 0.534 1
1 1138 . 5 1 1 A 126 126 LEU H H 126 9.932 8.850 1.082 1
1 1139 . 5 1 1 A 126 126 LEU N N 126 125.427 124.067 1.360 1
1 1140 . 5 1 1 A 126 126 LEU CA C 126 48.875 51.514 -2.639 1
1 1141 . 5 1 1 A 127 127 PRO CA C 127 58.907 62.213 -3.306 1
1 1142 . 5 1 1 A 127 127 PRO CB C 127 28.730 31.810 -3.080 1
1 1143 . 5 1 1 A 127 127 PRO C C 127 174.541 176.001 -1.460 1
1 1144 . 5 1 1 A 127 127 PRO HA H 127 5.587 5.251 0.336 1
1 1147 . 5 1 1 A 128 128 LEU H H 128 9.674 8.440 1.234 1
1 1148 . 5 1 1 A 128 128 LEU N N 128 129.196 125.067 4.129 1
1 1149 . 5 1 1 A 128 128 LEU CA C 128 49.523 51.754 -2.231 1
1 1150 . 5 1 1 A 128 128 LEU C C 128 175.960 175.462 0.498 1
1 1151 . 5 1 1 A 129 129 PRO CA C 129 60.043 62.283 -2.240 1
1 1152 . 5 1 1 A 129 129 PRO CB C 129 29.800 32.331 -2.531 1
1 1153 . 5 1 1 A 129 129 PRO C C 129 174.414 176.731 -2.317 1
1 1154 . 5 1 1 A 129 129 PRO HA H 129 4.710 4.940 -0.230 1
1 1160 . 5 1 1 A 130 130 VAL H H 130 7.992 8.164 -0.172 1
1 1161 . 5 1 1 A 130 130 VAL N N 130 118.275 123.313 -5.038 1
1 1162 . 5 1 1 A 130 130 VAL CA C 130 61.494 62.840 -1.346 1
1 1163 . 5 1 1 A 130 130 VAL CB C 130 29.649 32.356 -2.707 1
1 1164 . 5 1 1 A 130 130 VAL C C 130 174.097 176.110 -2.013 1
1 1165 . 5 1 1 A 130 130 VAL HA H 130 3.794 4.126 -0.332 1
1 1173 . 5 1 1 A 131 131 SER H H 131 7.844 8.537 -0.693 1
1 1174 . 5 1 1 A 131 131 SER N N 131 115.853 121.888 -6.035 1
1 1175 . 5 1 1 A 131 131 SER CA C 131 55.233 57.650 -2.417 1
1 1176 . 5 1 1 A 131 131 SER CB C 131 61.375 64.591 -3.216 1
1 1177 . 5 1 1 A 131 131 SER C C 131 173.574 174.370 -0.796 1
1 1178 . 5 1 1 A 131 131 SER HA H 131 4.218 4.702 -0.484 1
1 1181 . 5 1 1 A 132 132 SER H H 132 8.196 8.874 -0.678 1
1 1182 . 5 1 1 A 132 132 SER N N 132 118.100 120.661 -2.561 1
1 1183 . 5 1 1 A 132 132 SER CA C 132 56.021 58.101 -2.080 1
1 1184 . 5 1 1 A 132 132 SER CB C 132 61.848 61.331 0.517 1
1 1185 . 5 1 1 A 132 132 SER C C 132 170.997 172.920 -1.923 1
1 1186 . 5 1 1 A 132 132 SER HA H 132 4.484 4.784 -0.300 1
1 12 . 6 1 1 A 2 2 LYS H H 2 7.955 9.050 -1.095 1
1 13 . 6 1 1 A 2 2 LYS N N 2 120.000 121.850 -1.850 1
1 14 . 6 1 1 A 2 2 LYS CA C 2 51.913 55.151 -3.238 1
1 15 . 6 1 1 A 2 2 LYS C C 2 174.300 177.911 -3.611 1
1 16 . 6 1 1 A 2 2 LYS HA H 2 4.270 4.587 -0.317 1
1 18 . 6 1 1 A 3 3 LYS H H 3 7.960 8.819 -0.859 1
1 19 . 6 1 1 A 3 3 LYS N N 3 119.640 122.498 -2.858 1
1 20 . 6 1 1 A 3 3 LYS CA C 3 51.900 60.984 -9.084 1
1 21 . 6 1 1 A 3 3 LYS HA H 3 4.600 4.264 0.336 1
1 24 . 6 1 1 A 4 4 PRO CA C 4 60.687 63.299 -2.612 1
1 25 . 6 1 1 A 4 4 PRO C C 4 172.359 177.067 -4.708 1
1 26 . 6 1 1 A 4 4 PRO CB C 4 30.627 31.896 -1.269 1
1 27 . 6 1 1 A 4 4 PRO HA H 4 4.716 4.379 0.337 1
1 29 . 6 1 1 A 5 5 LYS H H 5 9.357 8.947 0.410 1
1 30 . 6 1 1 A 5 5 LYS N N 5 119.100 122.050 -2.950 1
1 31 . 6 1 1 A 5 5 LYS CA C 5 51.445 55.252 -3.807 1
1 32 . 6 1 1 A 5 5 LYS CB C 5 34.945 33.793 1.152 1
1 33 . 6 1 1 A 5 5 LYS C C 5 171.776 175.716 -3.940 1
1 34 . 6 1 1 A 5 5 LYS HA H 5 5.062 4.787 0.275 1
1 37 . 6 1 1 A 6 6 LEU H H 6 8.944 8.904 0.040 1
1 38 . 6 1 1 A 6 6 LEU N N 6 117.400 123.476 -6.076 1
1 39 . 6 1 1 A 6 6 LEU CA C 6 50.259 53.594 -3.335 1
1 40 . 6 1 1 A 6 6 LEU CB C 6 41.472 44.692 -3.220 1
1 41 . 6 1 1 A 6 6 LEU C C 6 174.676 175.672 -0.996 1
1 42 . 6 1 1 A 6 6 LEU HA H 6 4.984 5.079 -0.095 1
1 51 . 6 1 1 A 7 7 LEU H H 7 10.297 8.834 1.463 1
1 52 . 6 1 1 A 7 7 LEU N N 7 125.000 127.453 -2.453 1
1 53 . 6 1 1 A 7 7 LEU CA C 7 53.596 53.713 -0.117 1
1 54 . 6 1 1 A 7 7 LEU C C 7 172.290 175.338 -3.048 1
1 55 . 6 1 1 A 7 7 LEU HA H 7 5.083 4.908 0.175 1
1 65 . 6 1 1 A 8 8 TYR H H 8 8.483 8.900 -0.417 1
1 66 . 6 1 1 A 8 8 TYR N N 8 125.000 128.570 -3.570 1
1 67 . 6 1 1 A 8 8 TYR CA C 8 54.761 55.832 -1.071 1
1 68 . 6 1 1 A 8 8 TYR CB C 8 37.988 39.815 -1.827 1
1 69 . 6 1 1 A 8 8 TYR C C 8 171.270 174.060 -2.790 1
1 70 . 6 1 1 A 8 8 TYR HA H 8 4.592 5.367 -0.775 1
1 73 . 6 1 1 A 9 9 CYS H H 9 9.235 8.746 0.489 1
1 74 . 6 1 1 A 9 9 CYS N N 9 130.104 128.185 1.919 1
1 75 . 6 1 1 A 9 9 CYS CA C 9 55.588 57.953 -2.365 1
1 76 . 6 1 1 A 9 9 CYS CB C 9 26.864 28.648 -1.784 1
1 77 . 6 1 1 A 9 9 CYS C C 9 172.619 172.947 -0.328 1
1 78 . 6 1 1 A 9 9 CYS HA H 9 4.163 5.162 -0.999 1
1 82 . 6 1 1 A 10 10 SER H H 10 8.173 8.245 -0.072 1
1 83 . 6 1 1 A 10 10 SER N N 10 122.600 119.744 2.856 1
1 84 . 6 1 1 A 10 10 SER CA C 10 57.853 56.394 1.459 1
1 85 . 6 1 1 A 10 10 SER CB C 10 61.820 65.496 -3.676 1
1 86 . 6 1 1 A 10 10 SER C C 10 172.210 172.011 0.199 1
1 87 . 6 1 1 A 10 10 SER HA H 10 3.920 5.033 -1.113 1
1 89 . 6 1 1 A 11 11 ASN H H 11 7.450 8.604 -1.154 1
1 90 . 6 1 1 A 11 11 ASN N N 11 119.550 123.419 -3.869 1
1 91 . 6 1 1 A 11 11 ASN CA C 11 52.430 52.601 -0.171 1
1 92 . 6 1 1 A 11 11 ASN HA H 11 4.360 4.821 -0.461 1
1 94 . 6 1 1 A 12 12 GLY C C 12 171.806 172.418 -0.612 1
1 95 . 6 1 1 A 12 12 GLY CA C 12 41.915 45.805 -3.890 1
1 96 . 6 1 1 A 12 12 GLY HA3 H 12 3.927 4.136 -0.209 1
1 97 . 6 1 1 A 12 12 GLY H H 12 7.096 7.800 -0.704 1
1 98 . 6 1 1 A 12 12 GLY N N 12 109.300 112.505 -3.205 1
1 99 . 6 1 1 A 13 13 GLY H H 13 7.096 8.103 -1.007 1
1 100 . 6 1 1 A 13 13 GLY N N 13 109.300 110.002 -0.702 1
1 101 . 6 1 1 A 13 13 GLY CA C 13 44.272 45.450 -1.178 1
1 102 . 6 1 1 A 13 13 GLY C C 13 170.445 172.459 -2.014 1
1 103 . 6 1 1 A 13 13 GLY HA2 H 13 3.598 4.093 -0.495 1
1 104 . 6 1 1 A 13 13 GLY HA3 H 13 3.204 4.109 -0.905 1
1 105 . 6 1 1 A 14 14 HIS H H 14 6.302 8.616 -2.314 1
1 106 . 6 1 1 A 14 14 HIS N N 14 113.600 120.971 -7.371 1
1 107 . 6 1 1 A 14 14 HIS CA C 14 54.319 54.057 0.262 1
1 108 . 6 1 1 A 14 14 HIS CB C 14 31.792 34.293 -2.501 1
1 109 . 6 1 1 A 14 14 HIS C C 14 171.281 173.632 -2.351 1
1 110 . 6 1 1 A 14 14 HIS HA H 14 4.104 4.667 -0.563 1
1 113 . 6 1 1 A 15 15 PHE H H 15 9.298 8.843 0.455 1
1 114 . 6 1 1 A 15 15 PHE N N 15 120.700 117.920 2.780 1
1 115 . 6 1 1 A 15 15 PHE CA C 15 54.273 56.320 -2.047 1
1 116 . 6 1 1 A 15 15 PHE CB C 15 37.632 42.867 -5.235 1
1 117 . 6 1 1 A 15 15 PHE C C 15 173.938 174.767 -0.829 1
1 118 . 6 1 1 A 15 15 PHE HA H 15 5.390 5.165 0.225 1
1 121 . 6 1 1 A 16 16 LEU H H 16 8.480 8.761 -0.281 1
1 122 . 6 1 1 A 16 16 LEU N N 16 124.700 124.955 -0.255 1
1 123 . 6 1 1 A 16 16 LEU CA C 16 54.440 54.596 -0.156 1
1 124 . 6 1 1 A 16 16 LEU C C 16 171.758 175.556 -3.798 1
1 125 . 6 1 1 A 16 16 LEU CB C 16 41.301 43.298 -1.997 1
1 126 . 6 1 1 A 16 16 LEU HA H 16 4.394 4.887 -0.493 1
1 129 . 6 1 1 A 17 17 ARG H H 17 9.339 9.404 -0.065 1
1 130 . 6 1 1 A 17 17 ARG N N 17 126.971 125.465 1.506 1
1 131 . 6 1 1 A 17 17 ARG CA C 17 53.301 54.169 -0.868 1
1 132 . 6 1 1 A 17 17 ARG CB C 17 32.620 33.681 -1.061 1
1 133 . 6 1 1 A 17 17 ARG C C 17 171.302 175.534 -4.232 1
1 134 . 6 1 1 A 17 17 ARG HA H 17 4.715 5.376 -0.661 1
1 141 . 6 1 1 A 18 18 ILE H H 18 6.989 8.653 -1.664 1
1 142 . 6 1 1 A 18 18 ILE N N 18 120.966 119.520 1.446 1
1 143 . 6 1 1 A 18 18 ILE CA C 18 57.903 60.145 -2.242 1
1 144 . 6 1 1 A 18 18 ILE C C 18 173.747 175.113 -1.366 1
1 145 . 6 1 1 A 18 18 ILE HA H 18 4.563 4.964 -0.401 1
1 150 . 6 1 1 A 19 19 LEU H H 19 8.940 9.104 -0.164 1
1 151 . 6 1 1 A 19 19 LEU N N 19 128.097 126.772 1.325 1
1 152 . 6 1 1 A 19 19 LEU CA C 19 51.419 51.406 0.013 1
1 153 . 6 1 1 A 20 20 PRO CA C 20 62.710 63.973 -1.263 1
1 154 . 6 1 1 A 20 20 PRO CB C 20 29.518 32.091 -2.573 1
1 155 . 6 1 1 A 20 20 PRO C C 20 173.966 176.193 -2.227 1
1 156 . 6 1 1 A 20 20 PRO HA H 20 4.319 4.550 -0.231 1
1 161 . 6 1 1 A 21 21 ASP H H 21 7.415 7.994 -0.579 1
1 162 . 6 1 1 A 21 21 ASP N N 21 114.000 118.363 -4.363 1
1 163 . 6 1 1 A 21 21 ASP CA C 21 51.361 53.712 -2.351 1
1 164 . 6 1 1 A 21 21 ASP CB C 21 37.419 41.886 -4.467 1
1 165 . 6 1 1 A 21 21 ASP C C 21 174.570 176.476 -1.906 1
1 166 . 6 1 1 A 21 21 ASP HA H 21 4.513 4.757 -0.244 1
1 169 . 6 1 1 A 22 22 GLY H H 22 8.404 8.617 -0.213 1
1 170 . 6 1 1 A 22 22 GLY N N 22 109.100 107.060 2.040 1
1 171 . 6 1 1 A 22 22 GLY CA C 22 43.166 45.943 -2.777 1
1 172 . 6 1 1 A 22 22 GLY C C 22 172.565 173.699 -1.134 1
1 173 . 6 1 1 A 22 22 GLY HA3 H 22 4.632 4.244 0.388 1
1 174 . 6 1 1 A 22 22 GLY HA2 H 22 3.838 4.133 -0.295 1
1 175 . 6 1 1 A 23 23 THR H H 23 7.894 7.551 0.343 1
1 176 . 6 1 1 A 23 23 THR N N 23 116.800 110.345 6.455 1
1 177 . 6 1 1 A 23 23 THR CA C 23 61.304 60.006 1.298 1
1 178 . 6 1 1 A 23 23 THR CB C 23 67.455 72.466 -5.011 1
1 179 . 6 1 1 A 23 23 THR C C 23 170.170 172.632 -2.462 1
1 180 . 6 1 1 A 23 23 THR HA H 23 4.489 5.025 -0.536 1
1 185 . 6 1 1 A 24 24 VAL H H 24 7.792 9.188 -1.396 1
1 186 . 6 1 1 A 24 24 VAL N N 24 123.100 123.513 -0.413 1
1 187 . 6 1 1 A 24 24 VAL CA C 24 58.203 60.225 -2.022 1
1 188 . 6 1 1 A 24 24 VAL CB C 24 31.847 33.686 -1.839 1
1 189 . 6 1 1 A 24 24 VAL C C 24 171.629 174.463 -2.834 1
1 190 . 6 1 1 A 24 24 VAL HA H 24 5.084 5.309 -0.225 1
1 195 . 6 1 1 A 25 25 ASP H H 25 8.906 8.802 0.104 1
1 196 . 6 1 1 A 25 25 ASP N N 25 131.200 126.596 4.604 1
1 197 . 6 1 1 A 25 25 ASP CA C 25 50.847 52.304 -1.457 1
1 198 . 6 1 1 A 25 25 ASP CB C 25 38.730 44.640 -5.910 1
1 199 . 6 1 1 A 25 25 ASP C C 25 170.281 174.893 -4.612 1
1 200 . 6 1 1 A 25 25 ASP HA H 25 4.313 5.332 -1.019 1
1 203 . 6 1 1 A 26 26 GLY H H 26 7.891 8.720 -0.829 1
1 204 . 6 1 1 A 26 26 GLY N N 26 102.500 107.049 -4.549 1
1 205 . 6 1 1 A 26 26 GLY CA C 26 42.057 45.114 -3.057 1
1 206 . 6 1 1 A 26 26 GLY C C 26 169.975 172.888 -2.913 1
1 207 . 6 1 1 A 26 26 GLY HA3 H 26 5.529 4.118 1.411 1
1 208 . 6 1 1 A 26 26 GLY HA2 H 26 3.015 4.077 -1.062 1
1 209 . 6 1 1 A 27 27 THR H H 27 8.529 9.238 -0.709 1
1 210 . 6 1 1 A 27 27 THR N N 27 112.700 118.319 -5.619 1
1 211 . 6 1 1 A 27 27 THR CA C 27 56.740 60.930 -4.190 1
1 212 . 6 1 1 A 27 27 THR CB C 27 67.326 72.402 -5.076 1
1 213 . 6 1 1 A 27 27 THR C C 27 170.554 173.078 -2.524 1
1 214 . 6 1 1 A 27 27 THR HA H 27 5.189 4.427 0.762 1
1 219 . 6 1 1 A 28 28 ARG H H 28 8.993 8.659 0.334 1
1 220 . 6 1 1 A 28 28 ARG N N 28 127.500 124.664 2.836 1
1 221 . 6 1 1 A 28 28 ARG CA C 28 54.938 55.679 -0.741 1
1 222 . 6 1 1 A 28 28 ARG CB C 28 37.260 31.107 6.153 1
1 223 . 6 1 1 A 28 28 ARG C C 28 173.450 175.433 -1.983 1
1 224 . 6 1 1 A 28 28 ARG HA H 28 4.691 5.006 -0.315 1
1 227 . 6 1 1 A 29 29 ASP H H 29 8.323 8.758 -0.435 1
1 228 . 6 1 1 A 29 29 ASP N N 29 121.000 124.447 -3.447 1
1 229 . 6 1 1 A 29 29 ASP CA C 29 50.779 53.211 -2.432 1
1 230 . 6 1 1 A 29 29 ASP C C 29 172.275 175.724 -3.449 1
1 231 . 6 1 1 A 29 29 ASP HA H 29 4.661 5.370 -0.709 1
1 234 . 6 1 1 A 30 30 ARG H H 30 8.342 8.876 -0.534 1
1 235 . 6 1 1 A 30 30 ARG N N 30 126.100 126.770 -0.670 1
1 236 . 6 1 1 A 30 30 ARG CA C 30 54.924 56.641 -1.717 1
1 237 . 6 1 1 A 30 30 ARG CB C 30 28.367 30.936 -2.569 1
1 238 . 6 1 1 A 30 30 ARG C C 30 173.454 176.976 -3.522 1
1 239 . 6 1 1 A 30 30 ARG HA H 30 3.592 4.314 -0.722 1
1 243 . 6 1 1 A 31 31 SER H H 31 8.379 7.866 0.513 1
1 244 . 6 1 1 A 31 31 SER N N 31 113.600 111.788 1.812 1
1 245 . 6 1 1 A 31 31 SER CA C 31 55.918 58.605 -2.687 1
1 246 . 6 1 1 A 31 31 SER CB C 31 61.807 63.891 -2.084 1
1 247 . 6 1 1 A 31 31 SER C C 31 171.758 173.941 -2.183 1
1 248 . 6 1 1 A 31 31 SER HA H 31 4.397 4.429 -0.032 1
1 251 . 6 1 1 A 32 32 ASP H H 32 7.105 7.701 -0.596 1
1 252 . 6 1 1 A 32 32 ASP N N 32 125.000 122.937 2.063 1
1 253 . 6 1 1 A 32 32 ASP CA C 32 53.116 52.517 0.599 1
1 254 . 6 1 1 A 32 32 ASP CB C 32 41.585 43.282 -1.697 1
1 255 . 6 1 1 A 32 32 ASP C C 32 174.497 175.842 -1.345 1
1 256 . 6 1 1 A 32 32 ASP HA H 32 4.276 4.826 -0.550 1
1 259 . 6 1 1 A 33 33 GLN H H 33 8.775 8.855 -0.080 1
1 260 . 6 1 1 A 33 33 GLN N N 33 124.700 121.469 3.231 1
1 261 . 6 1 1 A 33 33 GLN CA C 33 55.127 56.086 -0.959 1
1 262 . 6 1 1 A 33 33 GLN CB C 33 26.601 29.380 -2.779 1
1 263 . 6 1 1 A 33 33 GLN C C 33 174.900 176.529 -1.629 1
1 264 . 6 1 1 A 33 33 GLN HA H 33 4.061 4.571 -0.510 1
1 271 . 6 1 1 A 34 34 HIS H H 34 9.681 7.893 1.788 1
1 272 . 6 1 1 A 34 34 HIS N N 34 116.700 116.412 0.288 1
1 273 . 6 1 1 A 34 34 HIS CA C 34 55.739 55.664 0.075 1
1 274 . 6 1 1 A 34 34 HIS CB C 34 26.065 30.514 -4.449 1
1 275 . 6 1 1 A 34 34 HIS C C 34 172.307 175.609 -3.302 1
1 276 . 6 1 1 A 34 34 HIS HA H 34 4.885 5.631 -0.746 1
1 279 . 6 1 1 A 35 35 ILE H H 35 6.711 7.656 -0.945 1
1 280 . 6 1 1 A 35 35 ILE N N 35 108.600 111.165 -2.565 1
1 281 . 6 1 1 A 35 35 ILE CA C 35 58.395 61.378 -2.983 1
1 282 . 6 1 1 A 35 35 ILE CB C 35 35.989 37.541 -1.552 1
1 283 . 6 1 1 A 35 35 ILE C C 35 172.249 175.841 -3.592 1
1 284 . 6 1 1 A 35 35 ILE HA H 35 5.114 4.344 0.770 1
1 293 . 6 1 1 A 36 36 GLN H H 36 7.148 7.887 -0.739 1
1 294 . 6 1 1 A 36 36 GLN N N 36 120.018 120.533 -0.515 1
1 295 . 6 1 1 A 36 36 GLN CA C 36 55.111 54.924 0.187 1
1 296 . 6 1 1 A 36 36 GLN CB C 36 25.190 29.995 -4.805 1
1 297 . 6 1 1 A 36 36 GLN C C 36 172.952 174.817 -1.865 1
1 298 . 6 1 1 A 36 36 GLN HA H 36 4.261 4.781 -0.520 1
1 305 . 6 1 1 A 37 37 LEU H H 37 9.110 9.212 -0.102 1
1 306 . 6 1 1 A 37 37 LEU N N 37 127.600 123.335 4.265 1
1 307 . 6 1 1 A 37 37 LEU CA C 37 51.329 52.933 -1.604 1
1 308 . 6 1 1 A 37 37 LEU CB C 37 42.165 44.861 -2.696 1
1 309 . 6 1 1 A 37 37 LEU C C 37 172.877 174.941 -2.064 1
1 310 . 6 1 1 A 37 37 LEU HA H 37 5.315 5.119 0.196 1
1 319 . 6 1 1 A 38 38 GLN H H 38 9.556 9.307 0.249 1
1 320 . 6 1 1 A 38 38 GLN N N 38 120.583 122.309 -1.726 1
1 321 . 6 1 1 A 38 38 GLN CA C 38 51.810 55.032 -3.222 1
1 322 . 6 1 1 A 38 38 GLN CB C 38 29.259 29.689 -0.430 1
1 323 . 6 1 1 A 38 38 GLN C C 38 172.676 174.825 -2.149 1
1 324 . 6 1 1 A 38 38 GLN HA H 38 4.623 4.602 0.021 1
1 328 . 6 1 1 A 39 39 LEU H H 39 8.926 9.234 -0.308 1
1 329 . 6 1 1 A 39 39 LEU N N 39 131.700 129.639 2.061 1
1 330 . 6 1 1 A 39 39 LEU CA C 39 53.062 53.955 -0.893 1
1 331 . 6 1 1 A 39 39 LEU C C 39 174.601 175.365 -0.764 1
1 332 . 6 1 1 A 39 39 LEU HA H 39 5.506 4.863 0.643 1
1 341 . 6 1 1 A 40 40 SER H H 40 8.569 8.530 0.039 1
1 342 . 6 1 1 A 40 40 SER N N 40 115.900 120.731 -4.831 1
1 343 . 6 1 1 A 40 40 SER CA C 40 54.925 55.787 -0.862 1
1 344 . 6 1 1 A 40 40 SER CB C 40 46.694 65.742 -19.048 1
1 345 . 6 1 1 A 40 40 SER C C 40 170.046 173.213 -3.167 1
1 346 . 6 1 1 A 40 40 SER HA H 40 4.676 5.164 -0.488 1
1 349 . 6 1 1 A 41 41 ALA H H 41 8.357 8.477 -0.120 1
1 350 . 6 1 1 A 41 41 ALA N N 41 125.900 125.419 0.481 1
1 351 . 6 1 1 A 41 41 ALA CA C 41 49.309 50.708 -1.399 1
1 352 . 6 1 1 A 41 41 ALA CB C 41 27.376 19.962 7.414 1
1 353 . 6 1 1 A 41 41 ALA C C 41 175.352 177.493 -2.141 1
1 354 . 6 1 1 A 41 41 ALA HA H 41 5.016 4.888 0.128 1
1 358 . 6 1 1 A 42 42 GLU H H 42 8.485 8.271 0.214 1
1 359 . 6 1 1 A 42 42 GLU N N 42 125.400 124.040 1.360 1
1 360 . 6 1 1 A 42 42 GLU CA C 42 54.611 57.689 -3.078 1
1 361 . 6 1 1 A 42 42 GLU CB C 42 28.181 31.019 -2.838 1
1 362 . 6 1 1 A 42 42 GLU C C 42 174.014 176.711 -2.697 1
1 363 . 6 1 1 A 42 42 GLU HA H 42 4.444 4.422 0.022 1
1 368 . 6 1 1 A 43 43 SER H H 43 8.020 7.858 0.162 1
1 369 . 6 1 1 A 43 43 SER N N 43 113.900 115.574 -1.674 1
1 370 . 6 1 1 A 43 43 SER CA C 43 55.014 57.156 -2.142 1
1 371 . 6 1 1 A 43 43 SER CB C 43 61.687 65.647 -3.960 1
1 372 . 6 1 1 A 43 43 SER C C 43 171.119 173.362 -2.243 1
1 373 . 6 1 1 A 43 43 SER HA H 43 4.516 4.811 -0.295 1
1 376 . 6 1 1 A 44 44 VAL H H 44 8.113 8.492 -0.379 1
1 377 . 6 1 1 A 44 44 VAL N N 44 121.100 123.413 -2.313 1
1 378 . 6 1 1 A 44 44 VAL CA C 44 62.838 63.689 -0.851 1
1 379 . 6 1 1 A 44 44 VAL CB C 44 28.991 31.277 -2.286 1
1 380 . 6 1 1 A 44 44 VAL C C 44 175.533 176.754 -1.221 1
1 381 . 6 1 1 A 44 44 VAL HA H 44 3.868 3.847 0.021 1
1 389 . 6 1 1 A 45 45 GLY H H 45 8.807 8.772 0.035 1
1 390 . 6 1 1 A 45 45 GLY N N 45 115.545 116.241 -0.696 1
1 391 . 6 1 1 A 45 45 GLY CA C 45 43.553 45.058 -1.505 1
1 392 . 6 1 1 A 45 45 GLY C C 45 170.948 174.016 -3.068 1
1 393 . 6 1 1 A 45 45 GLY HA3 H 45 4.296 4.028 0.268 1
1 394 . 6 1 1 A 45 45 GLY HA2 H 45 3.995 4.027 -0.032 1
1 395 . 6 1 1 A 46 46 GLU H H 46 7.985 7.625 0.360 1
1 396 . 6 1 1 A 46 46 GLU N N 46 121.200 118.615 2.585 1
1 397 . 6 1 1 A 46 46 GLU CA C 46 52.751 55.552 -2.801 1
1 398 . 6 1 1 A 46 46 GLU CB C 46 29.432 31.509 -2.077 1
1 399 . 6 1 1 A 46 46 GLU C C 46 173.583 175.802 -2.219 1
1 400 . 6 1 1 A 46 46 GLU HA H 46 5.442 4.755 0.687 1
1 405 . 6 1 1 A 47 47 VAL H H 47 9.560 8.914 0.646 1
1 406 . 6 1 1 A 47 47 VAL N N 47 116.400 117.567 -1.167 1
1 407 . 6 1 1 A 47 47 VAL CA C 47 56.846 60.009 -3.163 1
1 408 . 6 1 1 A 47 47 VAL CB C 47 33.714 34.359 -0.645 1
1 409 . 6 1 1 A 47 47 VAL C C 47 172.960 173.588 -0.628 1
1 410 . 6 1 1 A 47 47 VAL HA H 47 5.505 5.274 0.231 1
1 418 . 6 1 1 A 48 48 TYR H H 48 8.415 8.959 -0.544 1
1 419 . 6 1 1 A 48 48 TYR N N 48 117.400 125.854 -8.454 1
1 420 . 6 1 1 A 48 48 TYR CA C 48 54.331 55.754 -1.423 1
1 421 . 6 1 1 A 48 48 TYR CB C 48 39.296 41.604 -2.308 1
1 422 . 6 1 1 A 48 48 TYR C C 48 173.423 173.694 -0.271 1
1 423 . 6 1 1 A 48 48 TYR HA H 48 5.290 5.220 0.070 1
1 426 . 6 1 1 A 49 49 ILE H H 49 10.532 8.473 2.059 1
1 427 . 6 1 1 A 49 49 ILE N N 49 123.100 127.849 -4.749 1
1 428 . 6 1 1 A 49 49 ILE CA C 49 59.573 60.059 -0.486 1
1 429 . 6 1 1 A 49 49 ILE CB C 49 40.504 38.755 1.749 1
1 430 . 6 1 1 A 49 49 ILE C C 49 170.853 175.446 -4.593 1
1 431 . 6 1 1 A 49 49 ILE HA H 49 4.341 4.601 -0.260 1
1 438 . 6 1 1 A 50 50 LYS H H 50 8.511 8.727 -0.216 1
1 439 . 6 1 1 A 50 50 LYS N N 50 125.800 127.485 -1.685 1
1 440 . 6 1 1 A 50 50 LYS CA C 50 51.179 54.382 -3.203 1
1 441 . 6 1 1 A 50 50 LYS CB C 50 34.816 35.552 -0.736 1
1 442 . 6 1 1 A 50 50 LYS C C 50 173.759 175.642 -1.883 1
1 443 . 6 1 1 A 50 50 LYS HA H 50 4.991 4.856 0.135 1
1 451 . 6 1 1 A 51 51 SER H H 51 8.920 8.853 0.067 1
1 452 . 6 1 1 A 51 51 SER N N 51 117.579 119.988 -2.409 1
1 453 . 6 1 1 A 51 51 SER CA C 51 55.043 59.049 -4.006 1
1 454 . 6 1 1 A 51 51 SER CB C 51 61.065 63.284 -2.219 1
1 455 . 6 1 1 A 51 51 SER C C 51 175.084 173.851 1.233 1
1 456 . 6 1 1 A 51 51 SER HA H 51 4.666 4.388 0.278 1
1 459 . 6 1 1 A 52 52 THR H H 52 8.342 8.246 0.096 1
1 460 . 6 1 1 A 52 52 THR N N 52 123.200 119.390 3.810 1
1 461 . 6 1 1 A 52 52 THR CA C 52 62.792 64.590 -1.798 1
1 462 . 6 1 1 A 52 52 THR CB C 52 65.611 69.097 -3.486 1
1 463 . 6 1 1 A 52 52 THR C C 52 173.566 176.433 -2.867 1
1 464 . 6 1 1 A 52 52 THR HA H 52 3.996 4.088 -0.092 1
1 469 . 6 1 1 A 53 53 GLU H H 53 8.312 7.914 0.398 1
1 470 . 6 1 1 A 53 53 GLU N N 53 122.000 120.557 1.443 1
1 471 . 6 1 1 A 53 53 GLU CA C 53 55.889 58.332 -2.443 1
1 472 . 6 1 1 A 53 53 GLU CB C 53 28.359 30.636 -2.277 1
1 473 . 6 1 1 A 53 53 GLU C C 53 175.327 177.690 -2.363 1
1 474 . 6 1 1 A 53 53 GLU HA H 53 4.311 4.188 0.123 1
1 477 . 6 1 1 A 54 54 THR H H 54 7.724 7.591 0.133 1
1 478 . 6 1 1 A 54 54 THR N N 54 103.100 109.731 -6.631 1
1 479 . 6 1 1 A 54 54 THR CA C 54 58.555 61.100 -2.545 1
1 480 . 6 1 1 A 54 54 THR CB C 54 69.030 68.802 0.228 1
1 481 . 6 1 1 A 54 54 THR C C 54 173.942 175.535 -1.593 1
1 482 . 6 1 1 A 54 54 THR HA H 54 4.681 4.556 0.125 1
1 487 . 6 1 1 A 55 55 GLY H H 55 7.643 8.079 -0.436 1
1 488 . 6 1 1 A 55 55 GLY N N 55 110.700 110.874 -0.174 1
1 489 . 6 1 1 A 55 55 GLY CA C 55 43.594 45.799 -2.205 1
1 490 . 6 1 1 A 55 55 GLY HA3 H 55 4.150 3.902 0.248 1
1 491 . 6 1 1 A 55 55 GLY HA2 H 55 3.591 3.869 -0.278 1
1 492 . 6 1 1 A 55 55 GLY C C 55 170.694 174.252 -3.558 1
1 493 . 6 1 1 A 56 56 GLN H H 56 7.211 7.503 -0.292 1
1 494 . 6 1 1 A 56 56 GLN N N 56 115.700 117.192 -1.492 1
1 495 . 6 1 1 A 56 56 GLN CA C 56 53.898 55.642 -1.744 1
1 496 . 6 1 1 A 56 56 GLN CB C 56 30.456 32.318 -1.862 1
1 497 . 6 1 1 A 56 56 GLN C C 56 172.141 173.016 -0.875 1
1 498 . 6 1 1 A 56 56 GLN HA H 56 4.311 4.612 -0.301 1
1 504 . 6 1 1 A 57 57 TYR H H 57 9.254 8.939 0.315 1
1 505 . 6 1 1 A 57 57 TYR N N 57 119.400 126.010 -6.610 1
1 506 . 6 1 1 A 57 57 TYR CA C 57 53.356 56.166 -2.810 1
1 507 . 6 1 1 A 57 57 TYR CB C 57 40.466 37.094 3.372 1
1 508 . 6 1 1 A 57 57 TYR C C 57 173.320 174.910 -1.590 1
1 509 . 6 1 1 A 57 57 TYR HA H 57 4.128 4.906 -0.778 1
1 512 . 6 1 1 A 58 58 LEU H H 58 9.126 8.596 0.530 1
1 513 . 6 1 1 A 58 58 LEU N N 58 123.600 126.084 -2.484 1
1 514 . 6 1 1 A 58 58 LEU CA C 58 53.256 55.100 -1.844 1
1 515 . 6 1 1 A 58 58 LEU CB C 58 40.466 42.994 -2.528 1
1 516 . 6 1 1 A 58 58 LEU C C 58 172.320 175.196 -2.876 1
1 517 . 6 1 1 A 58 58 LEU HA H 58 4.128 4.480 -0.352 1
1 524 . 6 1 1 A 59 59 ALA H H 59 8.656 8.110 0.546 1
1 525 . 6 1 1 A 59 59 ALA N N 59 126.947 126.493 0.454 1
1 526 . 6 1 1 A 59 59 ALA CA C 59 48.450 50.541 -2.091 1
1 527 . 6 1 1 A 59 59 ALA CB C 59 21.261 22.290 -1.029 1
1 528 . 6 1 1 A 59 59 ALA C C 59 172.722 175.719 -2.997 1
1 529 . 6 1 1 A 59 59 ALA HA H 59 5.124 5.063 0.061 1
1 533 . 6 1 1 A 60 60 MET H H 60 7.521 8.675 -1.154 1
1 534 . 6 1 1 A 60 60 MET N N 60 116.602 122.275 -5.673 1
1 535 . 6 1 1 A 60 60 MET CA C 60 52.251 54.489 -2.238 1
1 536 . 6 1 1 A 60 60 MET CB C 60 35.046 33.874 1.172 1
1 537 . 6 1 1 A 60 60 MET C C 60 173.753 174.859 -1.106 1
1 538 . 6 1 1 A 60 60 MET HA H 60 5.527 4.924 0.603 1
1 543 . 6 1 1 A 61 61 ASP H H 61 9.159 8.825 0.334 1
1 544 . 6 1 1 A 61 61 ASP N N 61 128.445 124.911 3.534 1
1 545 . 6 1 1 A 61 61 ASP CA C 61 51.480 52.730 -1.250 1
1 546 . 6 1 1 A 61 61 ASP CB C 61 39.346 42.782 -3.436 1
1 547 . 6 1 1 A 61 61 ASP C C 61 175.800 175.722 0.078 1
1 548 . 6 1 1 A 61 61 ASP HA H 61 5.046 5.132 -0.086 1
1 551 . 6 1 1 A 62 62 THR H H 62 7.972 9.586 -1.614 1
1 552 . 6 1 1 A 62 62 THR N N 62 107.806 120.696 -12.890 1
1 553 . 6 1 1 A 62 62 THR CA C 62 62.626 64.727 -2.101 1
1 554 . 6 1 1 A 62 62 THR CB C 62 66.955 67.261 -0.306 1
1 555 . 6 1 1 A 62 62 THR C C 62 172.355 174.097 -1.742 1
1 556 . 6 1 1 A 62 62 THR HA H 62 4.134 4.089 0.045 1
1 561 . 6 1 1 A 63 63 ASP H H 63 8.333 8.653 -0.320 1
1 562 . 6 1 1 A 63 63 ASP N N 63 119.831 120.189 -0.358 1
1 563 . 6 1 1 A 63 63 ASP CA C 63 51.865 55.638 -3.773 1
1 564 . 6 1 1 A 63 63 ASP CB C 63 39.182 40.597 -1.415 1
1 565 . 6 1 1 A 63 63 ASP C C 63 174.438 177.010 -2.572 1
1 566 . 6 1 1 A 63 63 ASP HA H 63 4.964 4.464 0.500 1
1 569 . 6 1 1 A 64 64 GLY H H 64 8.264 8.022 0.242 1
1 570 . 6 1 1 A 64 64 GLY N N 64 109.142 108.019 1.123 1
1 571 . 6 1 1 A 64 64 GLY CA C 64 42.923 46.320 -3.397 1
1 572 . 6 1 1 A 64 64 GLY C C 64 171.248 173.798 -2.550 1
1 573 . 6 1 1 A 64 64 GLY HA3 H 64 3.652 3.697 -0.045 1
1 574 . 6 1 1 A 64 64 GLY HA2 H 64 3.397 3.004 0.393 1
1 575 . 6 1 1 A 65 65 LEU H H 65 8.636 7.355 1.281 1
1 576 . 6 1 1 A 65 65 LEU N N 65 123.137 118.575 4.562 1
1 577 . 6 1 1 A 65 65 LEU CA C 65 52.224 53.442 -1.218 1
1 578 . 6 1 1 A 65 65 LEU CB C 65 40.557 43.656 -3.099 1
1 579 . 6 1 1 A 65 65 LEU C C 65 174.507 175.589 -1.082 1
1 580 . 6 1 1 A 65 65 LEU HA H 65 4.529 4.887 -0.358 1
1 590 . 6 1 1 A 66 66 LEU H H 66 7.431 9.071 -1.640 1
1 591 . 6 1 1 A 66 66 LEU N N 66 124.493 123.040 1.453 1
1 592 . 6 1 1 A 66 66 LEU CA C 66 51.635 53.715 -2.080 1
1 593 . 6 1 1 A 66 66 LEU CB C 66 40.474 44.131 -3.657 1
1 594 . 6 1 1 A 66 66 LEU C C 66 174.070 175.662 -1.592 1
1 595 . 6 1 1 A 66 66 LEU HA H 66 5.714 5.354 0.360 1
1 605 . 6 1 1 A 67 67 TYR H H 67 9.237 8.788 0.449 1
1 606 . 6 1 1 A 67 67 TYR N N 67 120.360 118.534 1.826 1
1 607 . 6 1 1 A 67 67 TYR CA C 67 54.076 55.383 -1.307 1
1 608 . 6 1 1 A 67 67 TYR CB C 67 38.903 42.098 -3.195 1
1 609 . 6 1 1 A 67 67 TYR C C 67 169.640 173.942 -4.302 1
1 610 . 6 1 1 A 67 67 TYR HA H 67 5.023 5.797 -0.774 1
1 612 . 6 1 1 A 68 68 GLY H H 68 8.928 8.531 0.397 1
1 613 . 6 1 1 A 68 68 GLY N N 68 105.646 106.565 -0.919 1
1 614 . 6 1 1 A 68 68 GLY CA C 68 41.569 45.617 -4.048 1
1 615 . 6 1 1 A 68 68 GLY C C 68 170.551 173.948 -3.397 1
1 616 . 6 1 1 A 68 68 GLY HA2 H 68 4.676 4.120 0.556 1
1 617 . 6 1 1 A 69 69 SER H H 69 9.608 9.124 0.484 1
1 618 . 6 1 1 A 69 69 SER N N 69 120.100 119.435 0.665 1
1 619 . 6 1 1 A 69 69 SER CA C 69 53.737 59.429 -5.692 1
1 620 . 6 1 1 A 69 69 SER CB C 69 63.042 65.933 -2.891 1
1 621 . 6 1 1 A 69 69 SER C C 69 174.219 174.809 -0.590 1
1 622 . 6 1 1 A 69 69 SER HA H 69 4.966 4.840 0.126 1
1 625 . 6 1 1 A 70 70 GLN H H 70 9.343 8.011 1.332 1
1 626 . 6 1 1 A 70 70 GLN N N 70 127.339 119.417 7.922 1
1 627 . 6 1 1 A 70 70 GLN CA C 70 56.139 57.615 -1.476 1
1 628 . 6 1 1 A 70 70 GLN CB C 70 27.092 29.992 -2.900 1
1 629 . 6 1 1 A 70 70 GLN C C 70 173.241 175.418 -2.177 1
1 630 . 6 1 1 A 70 70 GLN HA H 70 4.286 3.924 0.362 1
1 638 . 6 1 1 A 71 71 THR H H 71 7.532 8.072 -0.540 1
1 639 . 6 1 1 A 71 71 THR N N 71 108.100 109.172 -1.072 1
1 640 . 6 1 1 A 71 71 THR CA C 71 55.203 58.757 -3.554 1
1 641 . 6 1 1 A 71 71 THR HA H 71 4.780 5.072 -0.292 1
1 643 . 6 1 1 A 72 72 PRO CA C 72 60.050 62.098 -2.048 1
1 644 . 6 1 1 A 72 72 PRO CB C 72 26.678 31.265 -4.587 1
1 645 . 6 1 1 A 72 72 PRO C C 72 172.920 175.817 -2.897 1
1 646 . 6 1 1 A 72 72 PRO HA H 72 4.173 4.937 -0.764 1
1 649 . 6 1 1 A 73 73 ASN H H 73 7.321 8.590 -1.269 1
1 650 . 6 1 1 A 73 73 ASN N N 73 119.200 121.169 -1.969 1
1 651 . 6 1 1 A 73 73 ASN CA C 73 49.994 51.794 -1.800 1
1 652 . 6 1 1 A 74 74 GLU H H 74 9.030 8.606 0.424 1
1 653 . 6 1 1 A 74 74 GLU CA C 74 57.131 55.390 1.741 1
1 654 . 6 1 1 A 74 74 GLU CB C 74 27.005 29.885 -2.880 1
1 655 . 6 1 1 A 74 74 GLU C C 74 176.352 176.003 0.349 1
1 656 . 6 1 1 A 74 74 GLU HA H 74 4.130 4.297 -0.167 1
1 661 . 6 1 1 A 75 75 GLU H H 75 8.574 8.502 0.072 1
1 662 . 6 1 1 A 75 75 GLU N N 75 119.200 126.072 -6.872 1
1 663 . 6 1 1 A 75 75 GLU CA C 75 56.343 56.579 -0.236 1
1 664 . 6 1 1 A 75 75 GLU CB C 75 26.028 31.761 -5.733 1
1 665 . 6 1 1 A 75 75 GLU C C 75 173.866 176.927 -3.061 1
1 666 . 6 1 1 A 75 75 GLU HA H 75 4.206 4.475 -0.269 1
1 671 . 6 1 1 A 76 76 CYS H H 76 7.727 7.790 -0.063 1
1 672 . 6 1 1 A 76 76 CYS N N 76 113.800 117.498 -3.698 1
1 673 . 6 1 1 A 76 76 CYS CA C 76 55.635 60.497 -4.862 1
1 674 . 6 1 1 A 76 76 CYS CB C 76 26.036 26.849 -0.813 1
1 675 . 6 1 1 A 76 76 CYS C C 76 170.849 174.294 -3.445 1
1 676 . 6 1 1 A 76 76 CYS HA H 76 5.426 3.876 1.550 1
1 679 . 6 1 1 A 77 77 LEU H H 77 6.241 7.090 -0.849 1
1 680 . 6 1 1 A 77 77 LEU N N 77 118.069 118.597 -0.528 1
1 681 . 6 1 1 A 77 77 LEU CA C 77 51.793 52.977 -1.184 1
1 682 . 6 1 1 A 77 77 LEU CB C 77 42.123 42.917 -0.794 1
1 683 . 6 1 1 A 77 77 LEU C C 77 173.882 175.683 -1.801 1
1 684 . 6 1 1 A 77 77 LEU HA H 77 4.555 4.270 0.285 1
1 694 . 6 1 1 A 78 78 PHE H H 78 9.067 8.386 0.681 1
1 695 . 6 1 1 A 78 78 PHE N N 78 122.377 119.494 2.883 1
1 696 . 6 1 1 A 78 78 PHE CA C 78 54.917 56.251 -1.334 1
1 697 . 6 1 1 A 78 78 PHE CB C 78 40.597 43.943 -3.346 1
1 698 . 6 1 1 A 78 78 PHE C C 78 171.853 174.625 -2.772 1
1 699 . 6 1 1 A 78 78 PHE HA H 78 5.169 5.043 0.126 1
1 702 . 6 1 1 A 79 79 LEU H H 79 9.958 9.186 0.772 1
1 703 . 6 1 1 A 79 79 LEU N N 79 122.126 123.269 -1.143 1
1 704 . 6 1 1 A 79 79 LEU CA C 79 51.232 54.528 -3.296 1
1 705 . 6 1 1 A 79 79 LEU CB C 79 38.511 44.133 -5.622 1
1 706 . 6 1 1 A 79 79 LEU C C 79 173.055 175.809 -2.754 1
1 707 . 6 1 1 A 79 79 LEU HA H 79 4.686 4.928 -0.242 1
1 713 . 6 1 1 A 80 80 GLU H H 80 8.347 8.789 -0.442 1
1 714 . 6 1 1 A 80 80 GLU N N 80 126.300 127.915 -1.615 1
1 715 . 6 1 1 A 80 80 GLU CA C 80 52.558 55.177 -2.619 1
1 716 . 6 1 1 A 80 80 GLU CB C 80 30.892 31.674 -0.782 1
1 717 . 6 1 1 A 80 80 GLU C C 80 173.355 175.094 -1.739 1
1 718 . 6 1 1 A 80 80 GLU HA H 80 4.832 5.047 -0.215 1
1 721 . 6 1 1 A 81 81 ARG H H 81 8.840 8.836 0.004 1
1 722 . 6 1 1 A 81 81 ARG N N 81 129.522 128.568 0.954 1
1 723 . 6 1 1 A 81 81 ARG CA C 81 52.288 54.804 -2.516 1
1 724 . 6 1 1 A 81 81 ARG CB C 81 38.588 32.740 5.848 1
1 725 . 6 1 1 A 81 81 ARG C C 81 172.258 174.658 -2.400 1
1 726 . 6 1 1 A 81 81 ARG HA H 81 4.659 4.830 -0.171 1
1 732 . 6 1 1 A 82 82 LEU H H 82 8.347 8.815 -0.468 1
1 733 . 6 1 1 A 82 82 LEU N N 82 125.700 123.889 1.811 1
1 734 . 6 1 1 A 82 82 LEU CA C 82 52.631 53.257 -0.626 1
1 735 . 6 1 1 A 82 82 LEU CB C 82 40.304 43.470 -3.166 1
1 736 . 6 1 1 A 82 82 LEU C C 82 174.567 175.337 -0.770 1
1 737 . 6 1 1 A 82 82 LEU HA H 82 4.875 4.894 -0.019 1
1 744 . 6 1 1 A 83 83 GLU H H 83 9.064 8.419 0.645 1
1 745 . 6 1 1 A 83 83 GLU N N 83 125.600 122.962 2.638 1
1 746 . 6 1 1 A 83 83 GLU CA C 83 51.723 56.095 -4.372 1
1 747 . 6 1 1 A 83 83 GLU CB C 83 43.703 30.243 13.460 1
1 748 . 6 1 1 A 83 83 GLU C C 83 174.885 175.990 -1.105 1
1 749 . 6 1 1 A 83 83 GLU HA H 83 4.974 4.330 0.644 1
1 752 . 6 1 1 A 84 84 GLU H H 84 8.806 8.675 0.131 1
1 753 . 6 1 1 A 84 84 GLU N N 84 120.300 124.268 -3.968 1
1 754 . 6 1 1 A 84 84 GLU CA C 84 55.553 56.170 -0.617 1
1 755 . 6 1 1 A 84 84 GLU CB C 84 27.117 29.854 -2.737 1
1 756 . 6 1 1 A 84 84 GLU C C 84 174.261 177.235 -2.974 1
1 757 . 6 1 1 A 84 84 GLU HA H 84 4.112 4.534 -0.422 1
1 761 . 6 1 1 A 85 85 ASN H H 85 8.429 9.080 -0.651 1
1 762 . 6 1 1 A 85 85 ASN N N 85 114.800 121.252 -6.452 1
1 763 . 6 1 1 A 85 85 ASN CA C 85 51.788 54.429 -2.641 1
1 764 . 6 1 1 A 85 85 ASN CB C 85 35.301 38.554 -3.253 1
1 765 . 6 1 1 A 85 85 ASN C C 85 172.203 174.910 -2.707 1
1 766 . 6 1 1 A 85 85 ASN HA H 85 4.343 4.592 -0.249 1
1 769 . 6 1 1 A 86 86 HIS H H 86 8.081 8.116 -0.035 1
1 770 . 6 1 1 A 86 86 HIS N N 86 108.737 116.538 -7.801 1
1 771 . 6 1 1 A 86 86 HIS CA C 86 55.255 57.569 -2.314 1
1 772 . 6 1 1 A 86 86 HIS CB C 86 24.858 31.211 -6.353 1
1 773 . 6 1 1 A 86 86 HIS C C 86 171.039 175.110 -4.071 1
1 774 . 6 1 1 A 86 86 HIS HA H 86 4.260 4.706 -0.446 1
1 777 . 6 1 1 A 87 87 TYR H H 87 7.592 7.628 -0.036 1
1 778 . 6 1 1 A 87 87 TYR N N 87 117.738 113.557 4.181 1
1 779 . 6 1 1 A 87 87 TYR CA C 87 56.163 56.603 -0.440 1
1 780 . 6 1 1 A 87 87 TYR CB C 87 38.643 39.768 -1.125 1
1 781 . 6 1 1 A 87 87 TYR C C 87 171.983 172.225 -0.242 1
1 782 . 6 1 1 A 87 87 TYR HA H 87 4.836 4.905 -0.069 1
1 784 . 6 1 1 A 88 88 ASN H H 88 9.840 9.310 0.530 1
1 785 . 6 1 1 A 88 88 ASN N N 88 118.891 119.740 -0.849 1
1 786 . 6 1 1 A 88 88 ASN CA C 88 50.063 52.061 -1.998 1
1 787 . 6 1 1 A 88 88 ASN CB C 88 40.242 40.252 -0.010 1
1 788 . 6 1 1 A 88 88 ASN C C 88 172.471 174.430 -1.959 1
1 789 . 6 1 1 A 88 88 ASN HA H 88 5.837 5.236 0.601 1
1 795 . 6 1 1 A 89 89 THR H H 89 8.380 8.814 -0.434 1
1 796 . 6 1 1 A 89 89 THR N N 89 108.521 117.607 -9.086 1
1 797 . 6 1 1 A 89 89 THR CA C 89 57.357 60.273 -2.916 1
1 798 . 6 1 1 A 89 89 THR CB C 89 70.868 72.855 -1.987 1
1 799 . 6 1 1 A 89 89 THR C C 89 170.548 172.414 -1.866 1
1 800 . 6 1 1 A 89 89 THR HA H 89 5.127 5.526 -0.399 1
1 805 . 6 1 1 A 90 90 TYR H H 90 10.247 8.985 1.262 1
1 806 . 6 1 1 A 90 90 TYR N N 90 119.000 121.518 -2.518 1
1 807 . 6 1 1 A 90 90 TYR CA C 90 55.106 56.142 -1.036 1
1 808 . 6 1 1 A 90 90 TYR CB C 90 39.047 42.133 -3.086 1
1 809 . 6 1 1 A 90 90 TYR C C 90 172.442 174.785 -2.343 1
1 810 . 6 1 1 A 90 90 TYR HA H 90 5.472 5.253 0.219 1
1 812 . 6 1 1 A 91 91 ILE H H 91 8.781 9.561 -0.780 1
1 813 . 6 1 1 A 91 91 ILE N N 91 122.546 124.469 -1.923 1
1 814 . 6 1 1 A 91 91 ILE CA C 91 56.346 60.205 -3.859 1
1 815 . 6 1 1 A 91 91 ILE CB C 91 36.627 40.191 -3.564 1
1 816 . 6 1 1 A 91 91 ILE C C 91 172.924 175.066 -2.142 1
1 817 . 6 1 1 A 91 91 ILE HA H 91 4.673 4.738 -0.065 1
1 826 . 6 1 1 A 92 92 SER H H 92 8.191 8.238 -0.047 1
1 827 . 6 1 1 A 92 92 SER N N 92 120.200 122.055 -1.855 1
1 828 . 6 1 1 A 92 92 SER CA C 92 55.781 57.037 -1.256 1
1 829 . 6 1 1 A 92 92 SER CB C 92 62.382 62.525 -0.143 1
1 830 . 6 1 1 A 92 92 SER C C 92 172.863 175.367 -2.504 1
1 831 . 6 1 1 A 92 92 SER HA H 92 4.016 4.785 -0.769 1
1 833 . 6 1 1 A 93 93 LYS H H 93 7.993 8.792 -0.799 1
1 834 . 6 1 1 A 93 93 LYS N N 93 130.618 128.339 2.279 1
1 835 . 6 1 1 A 93 93 LYS CA C 93 57.942 58.752 -0.810 1
1 836 . 6 1 1 A 93 93 LYS CB C 93 30.889 32.440 -1.551 1
1 837 . 6 1 1 A 93 93 LYS C C 93 176.938 178.175 -1.237 1
1 838 . 6 1 1 A 93 93 LYS HA H 93 3.779 4.188 -0.409 1
1 844 . 6 1 1 A 94 94 LYS H H 94 8.616 8.002 0.614 1
1 845 . 6 1 1 A 94 94 LYS N N 94 120.044 119.206 0.838 1
1 846 . 6 1 1 A 94 94 LYS CA C 94 55.868 59.095 -3.227 1
1 847 . 6 1 1 A 94 94 LYS CB C 94 30.329 32.633 -2.304 1
1 848 . 6 1 1 A 94 94 LYS C C 94 174.491 178.248 -3.757 1
1 849 . 6 1 1 A 94 94 LYS HA H 94 3.851 4.157 -0.306 1
1 856 . 6 1 1 A 95 95 HIS H H 95 7.249 7.906 -0.657 1
1 857 . 6 1 1 A 95 95 HIS N N 95 114.486 116.101 -1.615 1
1 858 . 6 1 1 A 95 95 HIS CA C 95 51.180 55.347 -4.167 1
1 859 . 6 1 1 A 95 95 HIS CB C 95 26.844 29.468 -2.624 1
1 860 . 6 1 1 A 95 95 HIS C C 95 173.734 175.817 -2.083 1
1 861 . 6 1 1 A 95 95 HIS HA H 95 4.604 4.833 -0.229 1
1 864 . 6 1 1 A 96 96 ALA H H 96 7.104 7.678 -0.574 1
1 865 . 6 1 1 A 96 96 ALA N N 96 125.204 124.226 0.978 1
1 866 . 6 1 1 A 96 96 ALA CA C 96 53.758 55.464 -1.706 1
1 867 . 6 1 1 A 96 96 ALA CB C 96 16.578 18.668 -2.090 1
1 868 . 6 1 1 A 96 96 ALA C C 96 178.508 179.942 -1.434 1
1 869 . 6 1 1 A 96 96 ALA HA H 96 4.131 3.873 0.258 1
1 873 . 6 1 1 A 97 97 GLU H H 97 8.857 8.152 0.705 1
1 874 . 6 1 1 A 97 97 GLU N N 97 118.007 119.083 -1.076 1
1 875 . 6 1 1 A 97 97 GLU CA C 97 56.153 58.655 -2.502 1
1 876 . 6 1 1 A 97 97 GLU CB C 97 26.241 29.340 -3.099 1
1 877 . 6 1 1 A 97 97 GLU C C 97 174.813 178.259 -3.446 1
1 878 . 6 1 1 A 97 97 GLU HA H 97 4.063 4.108 -0.045 1
1 882 . 6 1 1 A 98 98 LYS H H 98 7.116 7.633 -0.517 1
1 883 . 6 1 1 A 98 98 LYS N N 98 116.241 119.320 -3.079 1
1 884 . 6 1 1 A 98 98 LYS CA C 98 52.852 56.514 -3.662 1
1 885 . 6 1 1 A 98 98 LYS CB C 98 29.959 32.991 -3.032 1
1 886 . 6 1 1 A 98 98 LYS C C 98 173.361 176.209 -2.848 1
1 887 . 6 1 1 A 98 98 LYS HA H 98 4.280 4.377 -0.097 1
1 893 . 6 1 1 A 99 99 ASN H H 99 7.842 8.300 -0.458 1
1 894 . 6 1 1 A 99 99 ASN N N 99 113.000 117.457 -4.457 1
1 895 . 6 1 1 A 99 99 ASN CA C 99 52.240 54.615 -2.375 1
1 896 . 6 1 1 A 99 99 ASN CB C 99 35.289 38.135 -2.846 1
1 897 . 6 1 1 A 99 99 ASN C C 99 170.506 174.449 -3.943 1
1 898 . 6 1 1 A 99 99 ASN HA H 99 3.772 4.304 -0.532 1
1 904 . 6 1 1 A 100 100 TRP H H 100 6.369 7.509 -1.140 1
1 905 . 6 1 1 A 100 100 TRP N N 100 116.000 120.413 -4.413 1
1 906 . 6 1 1 A 100 100 TRP CA C 100 53.179 57.514 -4.335 1
1 907 . 6 1 1 A 100 100 TRP CB C 100 28.228 30.220 -1.992 1
1 908 . 6 1 1 A 100 100 TRP C C 100 171.701 175.976 -4.275 1
1 909 . 6 1 1 A 100 100 TRP HA H 100 4.816 4.611 0.205 1
1 912 . 6 1 1 A 101 101 PHE H H 101 8.026 8.632 -0.606 1
1 913 . 6 1 1 A 101 101 PHE N N 101 124.185 121.823 2.362 1
1 914 . 6 1 1 A 101 101 PHE CA C 101 55.472 56.743 -1.271 1
1 915 . 6 1 1 A 101 101 PHE CB C 101 39.220 41.317 -2.097 1
1 916 . 6 1 1 A 101 101 PHE C C 101 175.044 175.045 -0.001 1
1 917 . 6 1 1 A 101 101 PHE HA H 101 5.373 5.095 0.278 1
1 920 . 6 1 1 A 102 102 VAL H H 102 8.499 8.374 0.125 1
1 921 . 6 1 1 A 102 102 VAL N N 102 120.282 122.501 -2.219 1
1 922 . 6 1 1 A 102 102 VAL CA C 102 60.975 60.790 0.185 1
1 923 . 6 1 1 A 102 102 VAL CB C 102 30.243 32.652 -2.409 1
1 924 . 6 1 1 A 102 102 VAL C C 102 174.220 175.117 -0.897 1
1 925 . 6 1 1 A 102 102 VAL HA H 102 3.939 4.435 -0.496 1
1 930 . 6 1 1 A 103 103 GLY H H 103 8.996 8.650 0.346 1
1 931 . 6 1 1 A 103 103 GLY N N 103 114.668 115.432 -0.764 1
1 932 . 6 1 1 A 103 103 GLY CA C 103 43.802 44.396 -0.594 1
1 933 . 6 1 1 A 103 103 GLY C C 103 169.388 172.429 -3.041 1
1 934 . 6 1 1 A 103 103 GLY HA2 H 103 5.275 4.373 0.902 1
1 935 . 6 1 1 A 103 103 GLY HA3 H 103 3.180 4.727 -1.547 1
1 936 . 6 1 1 A 104 104 LEU H H 104 8.118 8.402 -0.284 1
1 937 . 6 1 1 A 104 104 LEU N N 104 119.100 120.596 -1.496 1
1 938 . 6 1 1 A 104 104 LEU CA C 104 51.207 52.625 -1.418 1
1 939 . 6 1 1 A 104 104 LEU CB C 104 43.579 46.061 -2.482 1
1 940 . 6 1 1 A 104 104 LEU C C 104 174.252 174.632 -0.380 1
1 941 . 6 1 1 A 104 104 LEU HA H 104 4.959 5.165 -0.206 1
1 950 . 6 1 1 A 105 105 LYS H H 105 8.847 8.647 0.200 1
1 951 . 6 1 1 A 105 105 LYS N N 105 118.900 122.252 -3.352 1
1 952 . 6 1 1 A 105 105 LYS CA C 105 54.035 55.270 -1.235 1
1 953 . 6 1 1 A 105 105 LYS C C 105 176.404 176.757 -0.353 1
1 954 . 6 1 1 A 105 105 LYS HA H 105 4.215 4.412 -0.197 1
1 960 . 6 1 1 A 106 106 LYS H H 106 8.980 8.499 0.481 1
1 961 . 6 1 1 A 106 106 LYS N N 106 122.172 124.788 -2.616 1
1 962 . 6 1 1 A 106 106 LYS CA C 106 57.672 58.566 -0.894 1
1 963 . 6 1 1 A 106 106 LYS CB C 106 29.780 31.902 -2.122 1
1 964 . 6 1 1 A 106 106 LYS C C 106 174.499 178.492 -3.993 1
1 965 . 6 1 1 A 106 106 LYS HA H 106 3.624 4.037 -0.413 1
1 970 . 6 1 1 A 107 107 ASN H H 107 7.352 7.781 -0.429 1
1 971 . 6 1 1 A 107 107 ASN N N 107 112.743 118.145 -5.402 1
1 972 . 6 1 1 A 107 107 ASN CA C 107 49.523 54.888 -5.365 1
1 973 . 6 1 1 A 107 107 ASN CB C 107 35.121 38.096 -2.975 1
1 974 . 6 1 1 A 107 107 ASN C C 107 174.511 176.954 -2.443 1
1 975 . 6 1 1 A 107 107 ASN HA H 107 4.678 4.712 -0.034 1
1 978 . 6 1 1 A 108 108 GLY H H 108 7.656 7.728 -0.072 1
1 979 . 6 1 1 A 108 108 GLY N N 108 109.900 107.769 2.131 1
1 980 . 6 1 1 A 108 108 GLY CA C 108 42.207 45.727 -3.520 1
1 981 . 6 1 1 A 108 108 GLY C C 108 169.305 173.698 -4.393 1
1 982 . 6 1 1 A 108 108 GLY HA3 H 108 3.358 4.033 -0.675 1
1 983 . 6 1 1 A 108 108 GLY HA2 H 108 2.111 4.026 -1.915 1
1 984 . 6 1 1 A 109 109 SER H H 109 7.280 7.867 -0.587 1
1 985 . 6 1 1 A 109 109 SER N N 109 112.357 111.762 0.595 1
1 986 . 6 1 1 A 109 109 SER CA C 109 55.139 57.736 -2.597 1
1 987 . 6 1 1 A 109 109 SER CB C 109 62.749 66.982 -4.233 1
1 988 . 6 1 1 A 109 109 SER C C 109 171.244 173.338 -2.094 1
1 989 . 6 1 1 A 109 109 SER HA H 109 4.755 4.883 -0.128 1
1 992 . 6 1 1 A 110 110 CYS H H 110 9.070 8.504 0.566 1
1 993 . 6 1 1 A 110 110 CYS N N 110 119.883 121.664 -1.781 1
1 994 . 6 1 1 A 110 110 CYS CA C 110 57.858 58.577 -0.719 1
1 995 . 6 1 1 A 110 110 CYS CB C 110 37.322 28.437 8.885 1
1 996 . 6 1 1 A 110 110 CYS C C 110 172.131 174.487 -2.356 1
1 997 . 6 1 1 A 110 110 CYS HA H 110 4.296 4.718 -0.422 1
1 1000 . 6 1 1 A 111 111 LYS H H 111 8.095 8.473 -0.378 1
1 1001 . 6 1 1 A 111 111 LYS N N 111 128.642 122.412 6.230 1
1 1002 . 6 1 1 A 111 111 LYS CA C 111 52.117 54.349 -2.232 1
1 1003 . 6 1 1 A 111 111 LYS CB C 111 30.980 35.122 -4.142 1
1 1004 . 6 1 1 A 111 111 LYS C C 111 172.265 175.456 -3.191 1
1 1005 . 6 1 1 A 111 111 LYS HA H 111 4.380 4.728 -0.348 1
1 1010 . 6 1 1 A 112 112 ARG H H 112 8.566 8.814 -0.248 1
1 1011 . 6 1 1 A 112 112 ARG N N 112 124.700 122.004 2.696 1
1 1012 . 6 1 1 A 112 112 ARG CA C 112 54.295 54.550 -0.255 1
1 1013 . 6 1 1 A 112 112 ARG CB C 112 28.927 31.618 -2.691 1
1 1014 . 6 1 1 A 112 112 ARG C C 112 175.240 178.182 -2.942 1
1 1015 . 6 1 1 A 112 112 ARG HA H 112 4.252 4.816 -0.564 1
1 1021 . 6 1 1 A 113 113 GLY H H 113 9.408 8.657 0.751 1
1 1022 . 6 1 1 A 113 113 GLY N N 113 106.636 111.344 -4.708 1
1 1023 . 6 1 1 A 113 113 GLY CA C 113 44.552 47.132 -2.580 1
1 1024 . 6 1 1 A 113 113 GLY C C 113 169.610 175.052 -5.442 1
1 1025 . 6 1 1 A 113 113 GLY HA2 H 113 1.510 3.044 -1.534 1
1 1026 . 6 1 1 A 114 114 PRO CA C 114 62.529 64.965 -2.436 1
1 1027 . 6 1 1 A 114 114 PRO C C 114 174.543 176.866 -2.323 1
1 1028 . 6 1 1 A 114 114 PRO HA H 114 4.321 4.494 -0.173 1
1 1033 . 6 1 1 A 115 115 ARG H H 115 8.067 7.939 0.128 1
1 1034 . 6 1 1 A 115 115 ARG N N 115 114.500 117.511 -3.011 1
1 1035 . 6 1 1 A 115 115 ARG CA C 115 52.011 55.560 -3.549 1
1 1036 . 6 1 1 A 115 115 ARG CB C 115 27.143 31.582 -4.439 1
1 1037 . 6 1 1 A 115 115 ARG C C 115 174.680 175.634 -0.954 1
1 1038 . 6 1 1 A 115 115 ARG HA H 115 4.508 4.583 -0.075 1
1 1043 . 6 1 1 A 116 116 THR H H 116 7.643 7.290 0.353 1
1 1044 . 6 1 1 A 116 116 THR N N 116 111.716 112.231 -0.515 1
1 1045 . 6 1 1 A 116 116 THR CA C 116 58.712 61.301 -2.589 1
1 1046 . 6 1 1 A 116 116 THR CB C 116 70.086 69.320 0.766 1
1 1047 . 6 1 1 A 116 116 THR C C 116 172.573 173.732 -1.159 1
1 1048 . 6 1 1 A 116 116 THR HA H 116 5.198 4.533 0.665 1
1 1053 . 6 1 1 A 117 117 HIS H H 117 7.091 8.469 -1.378 1
1 1054 . 6 1 1 A 117 117 HIS N N 117 112.914 122.304 -9.390 1
1 1055 . 6 1 1 A 117 117 HIS CA C 117 53.291 54.500 -1.209 1
1 1056 . 6 1 1 A 117 117 HIS CB C 117 29.133 33.446 -4.313 1
1 1057 . 6 1 1 A 117 117 HIS C C 117 170.344 172.506 -2.162 1
1 1058 . 6 1 1 A 117 117 HIS HA H 117 4.868 4.585 0.283 1
1 1061 . 6 1 1 A 118 118 TYR H H 118 9.020 8.763 0.257 1
1 1062 . 6 1 1 A 118 118 TYR N N 118 123.051 123.065 -0.014 1
1 1063 . 6 1 1 A 118 118 TYR CA C 118 58.801 56.600 2.201 1
1 1064 . 6 1 1 A 118 118 TYR CB C 118 29.959 37.825 -7.866 1
1 1065 . 6 1 1 A 118 118 TYR C C 118 174.446 175.007 -0.561 1
1 1066 . 6 1 1 A 118 118 TYR HA H 118 3.897 4.532 -0.635 1
1 1069 . 6 1 1 A 119 119 GLY H H 119 7.999 8.796 -0.797 1
1 1070 . 6 1 1 A 119 119 GLY N N 119 116.885 113.185 3.700 1
1 1071 . 6 1 1 A 119 119 GLY CA C 119 42.599 45.617 -3.018 1
1 1072 . 6 1 1 A 119 119 GLY C C 119 172.439 173.959 -1.520 1
1 1073 . 6 1 1 A 119 119 GLY HA3 H 119 4.385 3.889 0.496 1
1 1074 . 6 1 1 A 119 119 GLY HA2 H 119 3.296 3.828 -0.532 1
1 1075 . 6 1 1 A 120 120 GLN H H 120 7.003 7.579 -0.576 1
1 1076 . 6 1 1 A 120 120 GLN N N 120 118.266 119.174 -0.908 1
1 1077 . 6 1 1 A 120 120 GLN CA C 120 52.617 54.209 -1.592 1
1 1078 . 6 1 1 A 120 120 GLN CB C 120 27.324 31.895 -4.571 1
1 1079 . 6 1 1 A 120 120 GLN C C 120 174.995 174.167 0.828 1
1 1080 . 6 1 1 A 120 120 GLN HA H 120 4.262 4.723 -0.461 1
1 1083 . 6 1 1 A 121 121 LYS H H 121 8.477 8.510 -0.033 1
1 1084 . 6 1 1 A 121 121 LYS N N 121 121.222 124.479 -3.257 1
1 1085 . 6 1 1 A 121 121 LYS CA C 121 56.243 56.660 -0.417 1
1 1086 . 6 1 1 A 121 121 LYS CB C 121 29.598 31.628 -2.030 1
1 1087 . 6 1 1 A 121 121 LYS C C 121 172.702 176.976 -4.274 1
1 1088 . 6 1 1 A 121 121 LYS HA H 121 3.809 4.215 -0.406 1
1 1093 . 6 1 1 A 122 122 ALA H H 122 7.526 7.646 -0.120 1
1 1094 . 6 1 1 A 122 122 ALA N N 122 116.019 122.006 -5.987 1
1 1095 . 6 1 1 A 122 122 ALA CA C 122 52.338 53.902 -1.564 1
1 1096 . 6 1 1 A 122 122 ALA CB C 122 18.675 18.120 0.555 1
1 1097 . 6 1 1 A 122 122 ALA C C 122 172.756 177.517 -4.761 1
1 1098 . 6 1 1 A 122 122 ALA HA H 122 3.947 3.980 -0.033 1
1 1102 . 6 1 1 A 123 123 ILE H H 123 5.794 6.950 -1.156 1
1 1103 . 6 1 1 A 123 123 ILE N N 123 101.200 113.851 -12.651 1
1 1104 . 6 1 1 A 123 123 ILE CA C 123 57.297 60.912 -3.615 1
1 1105 . 6 1 1 A 123 123 ILE CB C 123 35.425 37.517 -2.092 1
1 1106 . 6 1 1 A 123 123 ILE C C 123 172.790 175.048 -2.258 1
1 1107 . 6 1 1 A 123 123 ILE HA H 123 5.184 4.124 1.060 1
1 1116 . 6 1 1 A 124 124 LEU H H 124 6.716 6.885 -0.169 1
1 1117 . 6 1 1 A 124 124 LEU N N 124 121.554 123.085 -1.531 1
1 1118 . 6 1 1 A 124 124 LEU CA C 124 51.686 53.583 -1.897 1
1 1119 . 6 1 1 A 124 124 LEU CB C 124 39.622 41.203 -1.581 1
1 1120 . 6 1 1 A 124 124 LEU C C 124 173.411 175.135 -1.724 1
1 1121 . 6 1 1 A 124 124 LEU HA H 124 4.597 4.183 0.414 1
1 1130 . 6 1 1 A 125 125 PHE H H 125 9.226 9.423 -0.197 1
1 1131 . 6 1 1 A 125 125 PHE N N 125 121.900 124.694 -2.794 1
1 1132 . 6 1 1 A 125 125 PHE CA C 125 54.604 57.173 -2.569 1
1 1133 . 6 1 1 A 125 125 PHE CB C 125 41.692 41.150 0.542 1
1 1134 . 6 1 1 A 125 125 PHE C C 125 172.768 174.823 -2.055 1
1 1135 . 6 1 1 A 125 125 PHE HA H 125 5.612 5.008 0.604 1
1 1138 . 6 1 1 A 126 126 LEU H H 126 9.932 8.951 0.981 1
1 1139 . 6 1 1 A 126 126 LEU N N 126 125.427 124.583 0.844 1
1 1140 . 6 1 1 A 126 126 LEU CA C 126 48.875 51.505 -2.630 1
1 1141 . 6 1 1 A 127 127 PRO CA C 127 58.907 62.214 -3.307 1
1 1142 . 6 1 1 A 127 127 PRO CB C 127 28.730 31.817 -3.087 1
1 1143 . 6 1 1 A 127 127 PRO C C 127 174.541 176.511 -1.970 1
1 1144 . 6 1 1 A 127 127 PRO HA H 127 5.587 5.440 0.147 1
1 1147 . 6 1 1 A 128 128 LEU H H 128 9.674 8.229 1.445 1
1 1148 . 6 1 1 A 128 128 LEU N N 128 129.196 118.699 10.497 1
1 1149 . 6 1 1 A 128 128 LEU CA C 128 49.523 51.458 -1.935 1
1 1150 . 6 1 1 A 128 128 LEU C C 128 175.960 175.559 0.401 1
1 1151 . 6 1 1 A 129 129 PRO CA C 129 60.043 62.279 -2.236 1
1 1152 . 6 1 1 A 129 129 PRO CB C 129 29.800 32.324 -2.524 1
1 1153 . 6 1 1 A 129 129 PRO C C 129 174.414 176.463 -2.049 1
1 1154 . 6 1 1 A 129 129 PRO HA H 129 4.710 4.971 -0.261 1
1 1160 . 6 1 1 A 130 130 VAL H H 130 7.992 8.670 -0.678 1
1 1161 . 6 1 1 A 130 130 VAL N N 130 118.275 121.719 -3.444 1
1 1162 . 6 1 1 A 130 130 VAL CA C 130 61.494 62.654 -1.160 1
1 1163 . 6 1 1 A 130 130 VAL CB C 130 29.649 32.201 -2.552 1
1 1164 . 6 1 1 A 130 130 VAL C C 130 174.097 176.141 -2.044 1
1 1165 . 6 1 1 A 130 130 VAL HA H 130 3.794 4.264 -0.470 1
1 1173 . 6 1 1 A 131 131 SER H H 131 7.844 8.495 -0.651 1
1 1174 . 6 1 1 A 131 131 SER N N 131 115.853 120.326 -4.473 1
1 1175 . 6 1 1 A 131 131 SER CA C 131 55.233 56.125 -0.892 1
1 1176 . 6 1 1 A 131 131 SER CB C 131 61.375 66.096 -4.721 1
1 1177 . 6 1 1 A 131 131 SER C C 131 173.574 174.097 -0.523 1
1 1178 . 6 1 1 A 131 131 SER HA H 131 4.218 5.493 -1.275 1
1 1181 . 6 1 1 A 132 132 SER H H 132 8.196 8.217 -0.021 1
1 1182 . 6 1 1 A 132 132 SER N N 132 118.100 119.958 -1.858 1
1 1183 . 6 1 1 A 132 132 SER CA C 132 56.021 57.880 -1.859 1
1 1184 . 6 1 1 A 132 132 SER CB C 132 61.848 61.650 0.198 1
1 1185 . 6 1 1 A 132 132 SER C C 132 170.997 173.122 -2.125 1
1 1186 . 6 1 1 A 132 132 SER HA H 132 4.484 4.645 -0.161 1
1 12 . 7 1 1 A 2 2 LYS H H 2 7.955 7.714 0.241 1
1 13 . 7 1 1 A 2 2 LYS N N 2 120.000 116.183 3.817 1
1 14 . 7 1 1 A 2 2 LYS CA C 2 51.913 54.361 -2.448 1
1 15 . 7 1 1 A 2 2 LYS C C 2 174.300 176.234 -1.934 1
1 16 . 7 1 1 A 2 2 LYS HA H 2 4.270 4.434 -0.164 1
1 18 . 7 1 1 A 3 3 LYS H H 3 7.960 8.623 -0.663 1
1 19 . 7 1 1 A 3 3 LYS N N 3 119.640 120.136 -0.496 1
1 20 . 7 1 1 A 3 3 LYS CA C 3 51.900 57.779 -5.879 1
1 21 . 7 1 1 A 3 3 LYS HA H 3 4.600 4.238 0.362 1
1 24 . 7 1 1 A 4 4 PRO CA C 4 60.687 63.342 -2.655 1
1 25 . 7 1 1 A 4 4 PRO C C 4 172.359 175.533 -3.174 1
1 26 . 7 1 1 A 4 4 PRO CB C 4 30.627 31.952 -1.325 1
1 27 . 7 1 1 A 4 4 PRO HA H 4 4.716 4.405 0.311 1
1 29 . 7 1 1 A 5 5 LYS H H 5 9.357 9.021 0.336 1
1 30 . 7 1 1 A 5 5 LYS N N 5 119.100 123.997 -4.897 1
1 31 . 7 1 1 A 5 5 LYS CA C 5 51.445 55.383 -3.938 1
1 32 . 7 1 1 A 5 5 LYS CB C 5 34.945 34.245 0.700 1
1 33 . 7 1 1 A 5 5 LYS C C 5 171.776 175.530 -3.754 1
1 34 . 7 1 1 A 5 5 LYS HA H 5 5.062 4.743 0.319 1
1 37 . 7 1 1 A 6 6 LEU H H 6 8.944 9.005 -0.061 1
1 38 . 7 1 1 A 6 6 LEU N N 6 117.400 127.284 -9.884 1
1 39 . 7 1 1 A 6 6 LEU CA C 6 50.259 53.637 -3.378 1
1 40 . 7 1 1 A 6 6 LEU CB C 6 41.472 44.678 -3.206 1
1 41 . 7 1 1 A 6 6 LEU C C 6 174.676 175.369 -0.693 1
1 42 . 7 1 1 A 6 6 LEU HA H 6 4.984 4.956 0.028 1
1 51 . 7 1 1 A 7 7 LEU H H 7 10.297 8.857 1.440 1
1 52 . 7 1 1 A 7 7 LEU N N 7 125.000 128.403 -3.403 1
1 53 . 7 1 1 A 7 7 LEU CA C 7 53.596 53.559 0.037 1
1 54 . 7 1 1 A 7 7 LEU C C 7 172.290 175.163 -2.873 1
1 55 . 7 1 1 A 7 7 LEU HA H 7 5.083 5.084 -0.001 1
1 65 . 7 1 1 A 8 8 TYR H H 8 8.483 8.941 -0.458 1
1 66 . 7 1 1 A 8 8 TYR N N 8 125.000 127.783 -2.783 1
1 67 . 7 1 1 A 8 8 TYR CA C 8 54.761 55.738 -0.977 1
1 68 . 7 1 1 A 8 8 TYR CB C 8 37.988 40.581 -2.593 1
1 69 . 7 1 1 A 8 8 TYR C C 8 171.270 173.818 -2.548 1
1 70 . 7 1 1 A 8 8 TYR HA H 8 4.592 5.349 -0.757 1
1 73 . 7 1 1 A 9 9 CYS H H 9 9.235 9.019 0.216 1
1 74 . 7 1 1 A 9 9 CYS N N 9 130.104 124.918 5.186 1
1 75 . 7 1 1 A 9 9 CYS CA C 9 55.588 57.154 -1.566 1
1 76 . 7 1 1 A 9 9 CYS CB C 9 26.864 29.843 -2.979 1
1 77 . 7 1 1 A 9 9 CYS C C 9 172.619 173.043 -0.424 1
1 78 . 7 1 1 A 9 9 CYS HA H 9 4.163 5.635 -1.472 1
1 82 . 7 1 1 A 10 10 SER H H 10 8.173 8.498 -0.325 1
1 83 . 7 1 1 A 10 10 SER N N 10 122.600 121.089 1.511 1
1 84 . 7 1 1 A 10 10 SER CA C 10 57.853 57.504 0.349 1
1 85 . 7 1 1 A 10 10 SER CB C 10 61.820 63.733 -1.913 1
1 86 . 7 1 1 A 10 10 SER C C 10 172.210 172.964 -0.754 1
1 87 . 7 1 1 A 10 10 SER HA H 10 3.920 4.868 -0.948 1
1 89 . 7 1 1 A 11 11 ASN H H 11 7.450 8.703 -1.253 1
1 90 . 7 1 1 A 11 11 ASN N N 11 119.550 125.198 -5.648 1
1 91 . 7 1 1 A 11 11 ASN CA C 11 52.430 52.055 0.375 1
1 92 . 7 1 1 A 11 11 ASN HA H 11 4.360 5.124 -0.764 1
1 94 . 7 1 1 A 12 12 GLY C C 12 171.806 174.617 -2.811 1
1 95 . 7 1 1 A 12 12 GLY CA C 12 41.915 47.179 -5.264 1
1 96 . 7 1 1 A 12 12 GLY HA3 H 12 3.927 3.848 0.079 1
1 97 . 7 1 1 A 12 12 GLY H H 12 7.096 8.578 -1.482 1
1 98 . 7 1 1 A 12 12 GLY N N 12 109.300 111.046 -1.746 1
1 99 . 7 1 1 A 13 13 GLY H H 13 7.096 8.878 -1.782 1
1 100 . 7 1 1 A 13 13 GLY N N 13 109.300 111.172 -1.872 1
1 101 . 7 1 1 A 13 13 GLY CA C 13 44.272 46.027 -1.755 1
1 102 . 7 1 1 A 13 13 GLY C C 13 170.445 173.949 -3.504 1
1 103 . 7 1 1 A 13 13 GLY HA2 H 13 3.598 3.761 -0.163 1
1 104 . 7 1 1 A 13 13 GLY HA3 H 13 3.204 3.880 -0.676 1
1 105 . 7 1 1 A 14 14 HIS H H 14 6.302 7.669 -1.367 1
1 106 . 7 1 1 A 14 14 HIS N N 14 113.600 118.129 -4.529 1
1 107 . 7 1 1 A 14 14 HIS CA C 14 54.319 54.244 0.075 1
1 108 . 7 1 1 A 14 14 HIS CB C 14 31.792 34.218 -2.426 1
1 109 . 7 1 1 A 14 14 HIS C C 14 171.281 173.430 -2.149 1
1 110 . 7 1 1 A 14 14 HIS HA H 14 4.104 4.894 -0.790 1
1 113 . 7 1 1 A 15 15 PHE H H 15 9.298 8.841 0.457 1
1 114 . 7 1 1 A 15 15 PHE N N 15 120.700 118.117 2.583 1
1 115 . 7 1 1 A 15 15 PHE CA C 15 54.273 56.326 -2.053 1
1 116 . 7 1 1 A 15 15 PHE CB C 15 37.632 42.661 -5.029 1
1 117 . 7 1 1 A 15 15 PHE C C 15 173.938 174.627 -0.689 1
1 118 . 7 1 1 A 15 15 PHE HA H 15 5.390 5.043 0.347 1
1 121 . 7 1 1 A 16 16 LEU H H 16 8.480 8.930 -0.450 1
1 122 . 7 1 1 A 16 16 LEU N N 16 124.700 125.419 -0.719 1
1 123 . 7 1 1 A 16 16 LEU CA C 16 54.440 55.129 -0.689 1
1 124 . 7 1 1 A 16 16 LEU C C 16 171.758 175.536 -3.778 1
1 125 . 7 1 1 A 16 16 LEU CB C 16 41.301 42.768 -1.467 1
1 126 . 7 1 1 A 16 16 LEU HA H 16 4.394 5.370 -0.976 1
1 129 . 7 1 1 A 17 17 ARG H H 17 9.339 9.446 -0.107 1
1 130 . 7 1 1 A 17 17 ARG N N 17 126.971 127.973 -1.002 1
1 131 . 7 1 1 A 17 17 ARG CA C 17 53.301 54.175 -0.874 1
1 132 . 7 1 1 A 17 17 ARG CB C 17 32.620 34.163 -1.543 1
1 133 . 7 1 1 A 17 17 ARG C C 17 171.302 175.537 -4.235 1
1 134 . 7 1 1 A 17 17 ARG HA H 17 4.715 5.099 -0.384 1
1 141 . 7 1 1 A 18 18 ILE H H 18 6.989 8.552 -1.563 1
1 142 . 7 1 1 A 18 18 ILE N N 18 120.966 120.308 0.658 1
1 143 . 7 1 1 A 18 18 ILE CA C 18 57.903 60.247 -2.344 1
1 144 . 7 1 1 A 18 18 ILE C C 18 173.747 175.029 -1.282 1
1 145 . 7 1 1 A 18 18 ILE HA H 18 4.563 4.713 -0.150 1
1 150 . 7 1 1 A 19 19 LEU H H 19 8.940 8.761 0.179 1
1 151 . 7 1 1 A 19 19 LEU N N 19 128.097 128.063 0.034 1
1 152 . 7 1 1 A 19 19 LEU CA C 19 51.419 50.911 0.508 1
1 153 . 7 1 1 A 20 20 PRO CA C 20 62.710 63.932 -1.222 1
1 154 . 7 1 1 A 20 20 PRO CB C 20 29.518 31.980 -2.462 1
1 155 . 7 1 1 A 20 20 PRO C C 20 173.966 177.362 -3.396 1
1 156 . 7 1 1 A 20 20 PRO HA H 20 4.319 4.487 -0.168 1
1 161 . 7 1 1 A 21 21 ASP H H 21 7.415 8.026 -0.611 1
1 162 . 7 1 1 A 21 21 ASP N N 21 114.000 118.456 -4.456 1
1 163 . 7 1 1 A 21 21 ASP CA C 21 51.361 54.830 -3.469 1
1 164 . 7 1 1 A 21 21 ASP CB C 21 37.419 41.409 -3.990 1
1 165 . 7 1 1 A 21 21 ASP C C 21 174.570 176.271 -1.701 1
1 166 . 7 1 1 A 21 21 ASP HA H 21 4.513 4.691 -0.178 1
1 169 . 7 1 1 A 22 22 GLY H H 22 8.404 7.927 0.477 1
1 170 . 7 1 1 A 22 22 GLY N N 22 109.100 107.244 1.856 1
1 171 . 7 1 1 A 22 22 GLY CA C 22 43.166 45.173 -2.007 1
1 172 . 7 1 1 A 22 22 GLY C C 22 172.565 174.068 -1.503 1
1 173 . 7 1 1 A 22 22 GLY HA3 H 22 4.632 4.222 0.410 1
1 174 . 7 1 1 A 22 22 GLY HA2 H 22 3.838 4.120 -0.282 1
1 175 . 7 1 1 A 23 23 THR H H 23 7.894 7.771 0.123 1
1 176 . 7 1 1 A 23 23 THR N N 23 116.800 114.645 2.155 1
1 177 . 7 1 1 A 23 23 THR CA C 23 61.304 61.353 -0.049 1
1 178 . 7 1 1 A 23 23 THR CB C 23 67.455 72.871 -5.416 1
1 179 . 7 1 1 A 23 23 THR C C 23 170.170 172.812 -2.642 1
1 180 . 7 1 1 A 23 23 THR HA H 23 4.489 5.015 -0.526 1
1 185 . 7 1 1 A 24 24 VAL H H 24 7.792 9.127 -1.335 1
1 186 . 7 1 1 A 24 24 VAL N N 24 123.100 127.117 -4.017 1
1 187 . 7 1 1 A 24 24 VAL CA C 24 58.203 60.382 -2.179 1
1 188 . 7 1 1 A 24 24 VAL CB C 24 31.847 33.698 -1.851 1
1 189 . 7 1 1 A 24 24 VAL C C 24 171.629 174.701 -3.072 1
1 190 . 7 1 1 A 24 24 VAL HA H 24 5.084 5.047 0.037 1
1 195 . 7 1 1 A 25 25 ASP H H 25 8.906 8.704 0.202 1
1 196 . 7 1 1 A 25 25 ASP N N 25 131.200 126.478 4.722 1
1 197 . 7 1 1 A 25 25 ASP CA C 25 50.847 52.341 -1.494 1
1 198 . 7 1 1 A 25 25 ASP CB C 25 38.730 44.971 -6.241 1
1 199 . 7 1 1 A 25 25 ASP C C 25 170.281 175.132 -4.851 1
1 200 . 7 1 1 A 25 25 ASP HA H 25 4.313 5.352 -1.039 1
1 203 . 7 1 1 A 26 26 GLY H H 26 7.891 8.729 -0.838 1
1 204 . 7 1 1 A 26 26 GLY N N 26 102.500 107.088 -4.588 1
1 205 . 7 1 1 A 26 26 GLY CA C 26 42.057 45.262 -3.205 1
1 206 . 7 1 1 A 26 26 GLY C C 26 169.975 173.114 -3.139 1
1 207 . 7 1 1 A 26 26 GLY HA3 H 26 5.529 4.168 1.361 1
1 208 . 7 1 1 A 26 26 GLY HA2 H 26 3.015 4.121 -1.106 1
1 209 . 7 1 1 A 27 27 THR H H 27 8.529 9.448 -0.919 1
1 210 . 7 1 1 A 27 27 THR N N 27 112.700 118.849 -6.149 1
1 211 . 7 1 1 A 27 27 THR CA C 27 56.740 61.293 -4.553 1
1 212 . 7 1 1 A 27 27 THR CB C 27 67.326 72.663 -5.337 1
1 213 . 7 1 1 A 27 27 THR C C 27 170.554 172.729 -2.175 1
1 214 . 7 1 1 A 27 27 THR HA H 27 5.189 5.109 0.080 1
1 219 . 7 1 1 A 28 28 ARG H H 28 8.993 8.762 0.231 1
1 220 . 7 1 1 A 28 28 ARG N N 28 127.500 127.153 0.347 1
1 221 . 7 1 1 A 28 28 ARG CA C 28 54.938 55.867 -0.929 1
1 222 . 7 1 1 A 28 28 ARG CB C 28 37.260 31.095 6.165 1
1 223 . 7 1 1 A 28 28 ARG C C 28 173.450 174.822 -1.372 1
1 224 . 7 1 1 A 28 28 ARG HA H 28 4.691 4.983 -0.292 1
1 227 . 7 1 1 A 29 29 ASP H H 29 8.323 8.678 -0.355 1
1 228 . 7 1 1 A 29 29 ASP N N 29 121.000 126.542 -5.542 1
1 229 . 7 1 1 A 29 29 ASP CA C 29 50.779 54.119 -3.340 1
1 230 . 7 1 1 A 29 29 ASP C C 29 172.275 175.013 -2.738 1
1 231 . 7 1 1 A 29 29 ASP HA H 29 4.661 5.116 -0.455 1
1 234 . 7 1 1 A 30 30 ARG H H 30 8.342 8.625 -0.283 1
1 235 . 7 1 1 A 30 30 ARG N N 30 126.100 122.802 3.298 1
1 236 . 7 1 1 A 30 30 ARG CA C 30 54.924 55.064 -0.140 1
1 237 . 7 1 1 A 30 30 ARG CB C 30 28.367 29.932 -1.565 1
1 238 . 7 1 1 A 30 30 ARG C C 30 173.454 176.386 -2.932 1
1 239 . 7 1 1 A 30 30 ARG HA H 30 3.592 4.609 -1.017 1
1 243 . 7 1 1 A 31 31 SER H H 31 8.379 8.721 -0.342 1
1 244 . 7 1 1 A 31 31 SER N N 31 113.600 115.015 -1.415 1
1 245 . 7 1 1 A 31 31 SER CA C 31 55.918 58.281 -2.363 1
1 246 . 7 1 1 A 31 31 SER CB C 31 61.807 64.999 -3.192 1
1 247 . 7 1 1 A 31 31 SER C C 31 171.758 173.042 -1.284 1
1 248 . 7 1 1 A 31 31 SER HA H 31 4.397 4.672 -0.275 1
1 251 . 7 1 1 A 32 32 ASP H H 32 7.105 8.030 -0.925 1
1 252 . 7 1 1 A 32 32 ASP N N 32 125.000 119.569 5.431 1
1 253 . 7 1 1 A 32 32 ASP CA C 32 53.116 52.806 0.310 1
1 254 . 7 1 1 A 32 32 ASP CB C 32 41.585 43.624 -2.039 1
1 255 . 7 1 1 A 32 32 ASP C C 32 174.497 175.597 -1.100 1
1 256 . 7 1 1 A 32 32 ASP HA H 32 4.276 4.940 -0.664 1
1 259 . 7 1 1 A 33 33 GLN H H 33 8.775 8.224 0.551 1
1 260 . 7 1 1 A 33 33 GLN N N 33 124.700 120.785 3.915 1
1 261 . 7 1 1 A 33 33 GLN CA C 33 55.127 54.511 0.616 1
1 262 . 7 1 1 A 33 33 GLN CB C 33 26.601 27.537 -0.936 1
1 263 . 7 1 1 A 33 33 GLN C C 33 174.900 175.611 -0.711 1
1 264 . 7 1 1 A 33 33 GLN HA H 33 4.061 4.371 -0.310 1
1 271 . 7 1 1 A 34 34 HIS H H 34 9.681 8.171 1.510 1
1 272 . 7 1 1 A 34 34 HIS N N 34 116.700 123.095 -6.395 1
1 273 . 7 1 1 A 34 34 HIS CA C 34 55.739 56.815 -1.076 1
1 274 . 7 1 1 A 34 34 HIS CB C 34 26.065 31.621 -5.556 1
1 275 . 7 1 1 A 34 34 HIS C C 34 172.307 176.416 -4.109 1
1 276 . 7 1 1 A 34 34 HIS HA H 34 4.885 4.740 0.145 1
1 279 . 7 1 1 A 35 35 ILE H H 35 6.711 7.419 -0.708 1
1 280 . 7 1 1 A 35 35 ILE N N 35 108.600 109.415 -0.815 1
1 281 . 7 1 1 A 35 35 ILE CA C 35 58.395 61.134 -2.739 1
1 282 . 7 1 1 A 35 35 ILE CB C 35 35.989 37.388 -1.399 1
1 283 . 7 1 1 A 35 35 ILE C C 35 172.249 175.910 -3.661 1
1 284 . 7 1 1 A 35 35 ILE HA H 35 5.114 4.483 0.631 1
1 293 . 7 1 1 A 36 36 GLN H H 36 7.148 7.849 -0.701 1
1 294 . 7 1 1 A 36 36 GLN N N 36 120.018 120.787 -0.769 1
1 295 . 7 1 1 A 36 36 GLN CA C 36 55.111 54.878 0.233 1
1 296 . 7 1 1 A 36 36 GLN CB C 36 25.190 29.883 -4.693 1
1 297 . 7 1 1 A 36 36 GLN C C 36 172.952 174.843 -1.891 1
1 298 . 7 1 1 A 36 36 GLN HA H 36 4.261 4.777 -0.516 1
1 305 . 7 1 1 A 37 37 LEU H H 37 9.110 8.979 0.131 1
1 306 . 7 1 1 A 37 37 LEU N N 37 127.600 123.162 4.438 1
1 307 . 7 1 1 A 37 37 LEU CA C 37 51.329 53.027 -1.698 1
1 308 . 7 1 1 A 37 37 LEU CB C 37 42.165 44.569 -2.404 1
1 309 . 7 1 1 A 37 37 LEU C C 37 172.877 174.981 -2.104 1
1 310 . 7 1 1 A 37 37 LEU HA H 37 5.315 5.084 0.231 1
1 319 . 7 1 1 A 38 38 GLN H H 38 9.556 9.304 0.252 1
1 320 . 7 1 1 A 38 38 GLN N N 38 120.583 122.660 -2.077 1
1 321 . 7 1 1 A 38 38 GLN CA C 38 51.810 54.996 -3.186 1
1 322 . 7 1 1 A 38 38 GLN CB C 38 29.259 29.507 -0.248 1
1 323 . 7 1 1 A 38 38 GLN C C 38 172.676 174.574 -1.898 1
1 324 . 7 1 1 A 38 38 GLN HA H 38 4.623 4.563 0.060 1
1 328 . 7 1 1 A 39 39 LEU H H 39 8.926 9.096 -0.170 1
1 329 . 7 1 1 A 39 39 LEU N N 39 131.700 129.591 2.109 1
1 330 . 7 1 1 A 39 39 LEU CA C 39 53.062 53.620 -0.558 1
1 331 . 7 1 1 A 39 39 LEU C C 39 174.601 175.080 -0.479 1
1 332 . 7 1 1 A 39 39 LEU HA H 39 5.506 5.105 0.401 1
1 341 . 7 1 1 A 40 40 SER H H 40 8.569 8.698 -0.129 1
1 342 . 7 1 1 A 40 40 SER N N 40 115.900 124.079 -8.179 1
1 343 . 7 1 1 A 40 40 SER CA C 40 54.925 57.460 -2.535 1
1 344 . 7 1 1 A 40 40 SER CB C 40 46.694 66.347 -19.653 1
1 345 . 7 1 1 A 40 40 SER C C 40 170.046 172.831 -2.785 1
1 346 . 7 1 1 A 40 40 SER HA H 40 4.676 5.209 -0.533 1
1 349 . 7 1 1 A 41 41 ALA H H 41 8.357 8.639 -0.282 1
1 350 . 7 1 1 A 41 41 ALA N N 41 125.900 124.938 0.962 1
1 351 . 7 1 1 A 41 41 ALA CA C 41 49.309 50.630 -1.321 1
1 352 . 7 1 1 A 41 41 ALA CB C 41 27.376 20.124 7.252 1
1 353 . 7 1 1 A 41 41 ALA C C 41 175.352 177.460 -2.108 1
1 354 . 7 1 1 A 41 41 ALA HA H 41 5.016 4.813 0.203 1
1 358 . 7 1 1 A 42 42 GLU H H 42 8.485 8.667 -0.182 1
1 359 . 7 1 1 A 42 42 GLU N N 42 125.400 120.918 4.482 1
1 360 . 7 1 1 A 42 42 GLU CA C 42 54.611 56.883 -2.272 1
1 361 . 7 1 1 A 42 42 GLU CB C 42 28.181 31.060 -2.879 1
1 362 . 7 1 1 A 42 42 GLU C C 42 174.014 176.335 -2.321 1
1 363 . 7 1 1 A 42 42 GLU HA H 42 4.444 4.586 -0.142 1
1 368 . 7 1 1 A 43 43 SER H H 43 8.020 7.895 0.125 1
1 369 . 7 1 1 A 43 43 SER N N 43 113.900 114.935 -1.035 1
1 370 . 7 1 1 A 43 43 SER CA C 43 55.014 57.460 -2.446 1
1 371 . 7 1 1 A 43 43 SER CB C 43 61.687 65.817 -4.130 1
1 372 . 7 1 1 A 43 43 SER C C 43 171.119 173.597 -2.478 1
1 373 . 7 1 1 A 43 43 SER HA H 43 4.516 4.781 -0.265 1
1 376 . 7 1 1 A 44 44 VAL H H 44 8.113 8.407 -0.294 1
1 377 . 7 1 1 A 44 44 VAL N N 44 121.100 121.127 -0.027 1
1 378 . 7 1 1 A 44 44 VAL CA C 44 62.838 63.694 -0.856 1
1 379 . 7 1 1 A 44 44 VAL CB C 44 28.991 31.277 -2.286 1
1 380 . 7 1 1 A 44 44 VAL C C 44 175.533 176.447 -0.914 1
1 381 . 7 1 1 A 44 44 VAL HA H 44 3.868 3.937 -0.069 1
1 389 . 7 1 1 A 45 45 GLY H H 45 8.807 8.917 -0.110 1
1 390 . 7 1 1 A 45 45 GLY N N 45 115.545 115.083 0.462 1
1 391 . 7 1 1 A 45 45 GLY CA C 45 43.553 45.068 -1.515 1
1 392 . 7 1 1 A 45 45 GLY C C 45 170.948 174.181 -3.233 1
1 393 . 7 1 1 A 45 45 GLY HA3 H 45 4.296 4.035 0.261 1
1 394 . 7 1 1 A 45 45 GLY HA2 H 45 3.995 4.029 -0.034 1
1 395 . 7 1 1 A 46 46 GLU H H 46 7.985 7.674 0.311 1
1 396 . 7 1 1 A 46 46 GLU N N 46 121.200 119.336 1.864 1
1 397 . 7 1 1 A 46 46 GLU CA C 46 52.751 55.624 -2.873 1
1 398 . 7 1 1 A 46 46 GLU CB C 46 29.432 31.160 -1.728 1
1 399 . 7 1 1 A 46 46 GLU C C 46 173.583 175.769 -2.186 1
1 400 . 7 1 1 A 46 46 GLU HA H 46 5.442 4.737 0.705 1
1 405 . 7 1 1 A 47 47 VAL H H 47 9.560 9.091 0.469 1
1 406 . 7 1 1 A 47 47 VAL N N 47 116.400 118.430 -2.030 1
1 407 . 7 1 1 A 47 47 VAL CA C 47 56.846 59.916 -3.070 1
1 408 . 7 1 1 A 47 47 VAL CB C 47 33.714 34.562 -0.848 1
1 409 . 7 1 1 A 47 47 VAL C C 47 172.960 173.681 -0.721 1
1 410 . 7 1 1 A 47 47 VAL HA H 47 5.505 5.120 0.385 1
1 418 . 7 1 1 A 48 48 TYR H H 48 8.415 9.291 -0.876 1
1 419 . 7 1 1 A 48 48 TYR N N 48 117.400 126.196 -8.796 1
1 420 . 7 1 1 A 48 48 TYR CA C 48 54.331 55.774 -1.443 1
1 421 . 7 1 1 A 48 48 TYR CB C 48 39.296 41.583 -2.287 1
1 422 . 7 1 1 A 48 48 TYR C C 48 173.423 173.730 -0.307 1
1 423 . 7 1 1 A 48 48 TYR HA H 48 5.290 5.208 0.082 1
1 426 . 7 1 1 A 49 49 ILE H H 49 10.532 8.572 1.960 1
1 427 . 7 1 1 A 49 49 ILE N N 49 123.100 128.112 -5.012 1
1 428 . 7 1 1 A 49 49 ILE CA C 49 59.573 60.041 -0.468 1
1 429 . 7 1 1 A 49 49 ILE CB C 49 40.504 37.363 3.141 1
1 430 . 7 1 1 A 49 49 ILE C C 49 170.853 174.821 -3.968 1
1 431 . 7 1 1 A 49 49 ILE HA H 49 4.341 4.421 -0.080 1
1 438 . 7 1 1 A 50 50 LYS H H 50 8.511 8.422 0.089 1
1 439 . 7 1 1 A 50 50 LYS N N 50 125.800 124.260 1.540 1
1 440 . 7 1 1 A 50 50 LYS CA C 50 51.179 54.012 -2.833 1
1 441 . 7 1 1 A 50 50 LYS CB C 50 34.816 35.764 -0.948 1
1 442 . 7 1 1 A 50 50 LYS C C 50 173.759 174.909 -1.150 1
1 443 . 7 1 1 A 50 50 LYS HA H 50 4.991 4.664 0.327 1
1 451 . 7 1 1 A 51 51 SER H H 51 8.920 8.596 0.324 1
1 452 . 7 1 1 A 51 51 SER N N 51 117.579 117.062 0.517 1
1 453 . 7 1 1 A 51 51 SER CA C 51 55.043 57.971 -2.928 1
1 454 . 7 1 1 A 51 51 SER CB C 51 61.065 63.463 -2.398 1
1 455 . 7 1 1 A 51 51 SER C C 51 175.084 174.317 0.767 1
1 456 . 7 1 1 A 51 51 SER HA H 51 4.666 4.427 0.239 1
1 459 . 7 1 1 A 52 52 THR H H 52 8.342 8.155 0.187 1
1 460 . 7 1 1 A 52 52 THR N N 52 123.200 122.442 0.758 1
1 461 . 7 1 1 A 52 52 THR CA C 52 62.792 64.782 -1.990 1
1 462 . 7 1 1 A 52 52 THR CB C 52 65.611 68.910 -3.299 1
1 463 . 7 1 1 A 52 52 THR C C 52 173.566 175.629 -2.063 1
1 464 . 7 1 1 A 52 52 THR HA H 52 3.996 3.971 0.025 1
1 469 . 7 1 1 A 53 53 GLU H H 53 8.312 8.143 0.169 1
1 470 . 7 1 1 A 53 53 GLU N N 53 122.000 120.504 1.496 1
1 471 . 7 1 1 A 53 53 GLU CA C 53 55.889 57.791 -1.902 1
1 472 . 7 1 1 A 53 53 GLU CB C 53 28.359 30.729 -2.370 1
1 473 . 7 1 1 A 53 53 GLU C C 53 175.327 178.096 -2.769 1
1 474 . 7 1 1 A 53 53 GLU HA H 53 4.311 4.384 -0.073 1
1 477 . 7 1 1 A 54 54 THR H H 54 7.724 7.648 0.076 1
1 478 . 7 1 1 A 54 54 THR N N 54 103.100 108.586 -5.486 1
1 479 . 7 1 1 A 54 54 THR CA C 54 58.555 61.309 -2.754 1
1 480 . 7 1 1 A 54 54 THR CB C 54 69.030 69.134 -0.104 1
1 481 . 7 1 1 A 54 54 THR C C 54 173.942 175.638 -1.696 1
1 482 . 7 1 1 A 54 54 THR HA H 54 4.681 4.622 0.059 1
1 487 . 7 1 1 A 55 55 GLY H H 55 7.643 8.311 -0.668 1
1 488 . 7 1 1 A 55 55 GLY N N 55 110.700 110.827 -0.127 1
1 489 . 7 1 1 A 55 55 GLY CA C 55 43.594 45.643 -2.049 1
1 490 . 7 1 1 A 55 55 GLY HA3 H 55 4.150 3.909 0.241 1
1 491 . 7 1 1 A 55 55 GLY HA2 H 55 3.591 3.856 -0.265 1
1 492 . 7 1 1 A 55 55 GLY C C 55 170.694 174.006 -3.312 1
1 493 . 7 1 1 A 56 56 GLN H H 56 7.211 7.206 0.005 1
1 494 . 7 1 1 A 56 56 GLN N N 56 115.700 117.117 -1.417 1
1 495 . 7 1 1 A 56 56 GLN CA C 56 53.898 55.507 -1.609 1
1 496 . 7 1 1 A 56 56 GLN CB C 56 30.456 32.270 -1.814 1
1 497 . 7 1 1 A 56 56 GLN C C 56 172.141 172.911 -0.770 1
1 498 . 7 1 1 A 56 56 GLN HA H 56 4.311 4.552 -0.241 1
1 504 . 7 1 1 A 57 57 TYR H H 57 9.254 8.903 0.351 1
1 505 . 7 1 1 A 57 57 TYR N N 57 119.400 125.704 -6.304 1
1 506 . 7 1 1 A 57 57 TYR CA C 57 53.356 56.166 -2.810 1
1 507 . 7 1 1 A 57 57 TYR CB C 57 40.466 36.759 3.707 1
1 508 . 7 1 1 A 57 57 TYR C C 57 173.320 174.770 -1.450 1
1 509 . 7 1 1 A 57 57 TYR HA H 57 4.128 4.831 -0.703 1
1 512 . 7 1 1 A 58 58 LEU H H 58 9.126 8.445 0.681 1
1 513 . 7 1 1 A 58 58 LEU N N 58 123.600 125.585 -1.985 1
1 514 . 7 1 1 A 58 58 LEU CA C 58 53.256 55.067 -1.811 1
1 515 . 7 1 1 A 58 58 LEU CB C 58 40.466 43.001 -2.535 1
1 516 . 7 1 1 A 58 58 LEU C C 58 172.320 175.310 -2.990 1
1 517 . 7 1 1 A 58 58 LEU HA H 58 4.128 4.495 -0.367 1
1 524 . 7 1 1 A 59 59 ALA H H 59 8.656 8.159 0.497 1
1 525 . 7 1 1 A 59 59 ALA N N 59 126.947 126.207 0.740 1
1 526 . 7 1 1 A 59 59 ALA CA C 59 48.450 50.607 -2.157 1
1 527 . 7 1 1 A 59 59 ALA CB C 59 21.261 22.635 -1.374 1
1 528 . 7 1 1 A 59 59 ALA C C 59 172.722 175.664 -2.942 1
1 529 . 7 1 1 A 59 59 ALA HA H 59 5.124 5.168 -0.044 1
1 533 . 7 1 1 A 60 60 MET H H 60 7.521 8.649 -1.128 1
1 534 . 7 1 1 A 60 60 MET N N 60 116.602 121.130 -4.528 1
1 535 . 7 1 1 A 60 60 MET CA C 60 52.251 54.057 -1.806 1
1 536 . 7 1 1 A 60 60 MET CB C 60 35.046 32.181 2.865 1
1 537 . 7 1 1 A 60 60 MET C C 60 173.753 175.314 -1.561 1
1 538 . 7 1 1 A 60 60 MET HA H 60 5.527 5.077 0.450 1
1 543 . 7 1 1 A 61 61 ASP H H 61 9.159 8.659 0.500 1
1 544 . 7 1 1 A 61 61 ASP N N 61 128.445 124.172 4.273 1
1 545 . 7 1 1 A 61 61 ASP CA C 61 51.480 52.938 -1.458 1
1 546 . 7 1 1 A 61 61 ASP CB C 61 39.346 42.808 -3.462 1
1 547 . 7 1 1 A 61 61 ASP C C 61 175.800 175.624 0.176 1
1 548 . 7 1 1 A 61 61 ASP HA H 61 5.046 5.186 -0.140 1
1 551 . 7 1 1 A 62 62 THR H H 62 7.972 9.647 -1.675 1
1 552 . 7 1 1 A 62 62 THR N N 62 107.806 121.108 -13.302 1
1 553 . 7 1 1 A 62 62 THR CA C 62 62.626 64.854 -2.228 1
1 554 . 7 1 1 A 62 62 THR CB C 62 66.955 67.178 -0.223 1
1 555 . 7 1 1 A 62 62 THR C C 62 172.355 174.047 -1.692 1
1 556 . 7 1 1 A 62 62 THR HA H 62 4.134 4.180 -0.046 1
1 561 . 7 1 1 A 63 63 ASP H H 63 8.333 8.707 -0.374 1
1 562 . 7 1 1 A 63 63 ASP N N 63 119.831 117.300 2.531 1
1 563 . 7 1 1 A 63 63 ASP CA C 63 51.865 55.770 -3.905 1
1 564 . 7 1 1 A 63 63 ASP CB C 63 39.182 39.635 -0.453 1
1 565 . 7 1 1 A 63 63 ASP C C 63 174.438 176.071 -1.633 1
1 566 . 7 1 1 A 63 63 ASP HA H 63 4.964 4.431 0.533 1
1 569 . 7 1 1 A 64 64 GLY H H 64 8.264 8.122 0.142 1
1 570 . 7 1 1 A 64 64 GLY N N 64 109.142 105.963 3.179 1
1 571 . 7 1 1 A 64 64 GLY CA C 64 42.923 46.382 -3.459 1
1 572 . 7 1 1 A 64 64 GLY C C 64 171.248 173.949 -2.701 1
1 573 . 7 1 1 A 64 64 GLY HA3 H 64 3.652 4.079 -0.427 1
1 574 . 7 1 1 A 64 64 GLY HA2 H 64 3.397 3.758 -0.361 1
1 575 . 7 1 1 A 65 65 LEU H H 65 8.636 7.378 1.258 1
1 576 . 7 1 1 A 65 65 LEU N N 65 123.137 119.121 4.016 1
1 577 . 7 1 1 A 65 65 LEU CA C 65 52.224 53.434 -1.210 1
1 578 . 7 1 1 A 65 65 LEU CB C 65 40.557 45.990 -5.433 1
1 579 . 7 1 1 A 65 65 LEU C C 65 174.507 175.571 -1.064 1
1 580 . 7 1 1 A 65 65 LEU HA H 65 4.529 4.917 -0.388 1
1 590 . 7 1 1 A 66 66 LEU H H 66 7.431 8.940 -1.509 1
1 591 . 7 1 1 A 66 66 LEU N N 66 124.493 125.178 -0.685 1
1 592 . 7 1 1 A 66 66 LEU CA C 66 51.635 53.352 -1.717 1
1 593 . 7 1 1 A 66 66 LEU CB C 66 40.474 42.830 -2.356 1
1 594 . 7 1 1 A 66 66 LEU C C 66 174.070 175.680 -1.610 1
1 595 . 7 1 1 A 66 66 LEU HA H 66 5.714 4.996 0.718 1
1 605 . 7 1 1 A 67 67 TYR H H 67 9.237 8.838 0.399 1
1 606 . 7 1 1 A 67 67 TYR N N 67 120.360 122.260 -1.900 1
1 607 . 7 1 1 A 67 67 TYR CA C 67 54.076 55.449 -1.373 1
1 608 . 7 1 1 A 67 67 TYR CB C 67 38.903 41.887 -2.984 1
1 609 . 7 1 1 A 67 67 TYR C C 67 169.640 173.805 -4.165 1
1 610 . 7 1 1 A 67 67 TYR HA H 67 5.023 5.782 -0.759 1
1 612 . 7 1 1 A 68 68 GLY H H 68 8.928 8.583 0.345 1
1 613 . 7 1 1 A 68 68 GLY N N 68 105.646 106.693 -1.047 1
1 614 . 7 1 1 A 68 68 GLY CA C 68 41.569 45.452 -3.883 1
1 615 . 7 1 1 A 68 68 GLY C C 68 170.551 173.950 -3.399 1
1 616 . 7 1 1 A 68 68 GLY HA2 H 68 4.676 4.259 0.417 1
1 617 . 7 1 1 A 69 69 SER H H 69 9.608 9.181 0.427 1
1 618 . 7 1 1 A 69 69 SER N N 69 120.100 119.748 0.352 1
1 619 . 7 1 1 A 69 69 SER CA C 69 53.737 59.460 -5.723 1
1 620 . 7 1 1 A 69 69 SER CB C 69 63.042 65.922 -2.880 1
1 621 . 7 1 1 A 69 69 SER C C 69 174.219 174.980 -0.761 1
1 622 . 7 1 1 A 69 69 SER HA H 69 4.966 4.852 0.114 1
1 625 . 7 1 1 A 70 70 GLN H H 70 9.343 8.358 0.985 1
1 626 . 7 1 1 A 70 70 GLN N N 70 127.339 118.295 9.044 1
1 627 . 7 1 1 A 70 70 GLN CA C 70 56.139 57.699 -1.560 1
1 628 . 7 1 1 A 70 70 GLN CB C 70 27.092 30.135 -3.043 1
1 629 . 7 1 1 A 70 70 GLN C C 70 173.241 176.120 -2.879 1
1 630 . 7 1 1 A 70 70 GLN HA H 70 4.286 4.113 0.173 1
1 638 . 7 1 1 A 71 71 THR H H 71 7.532 7.726 -0.194 1
1 639 . 7 1 1 A 71 71 THR N N 71 108.100 111.797 -3.697 1
1 640 . 7 1 1 A 71 71 THR CA C 71 55.203 59.392 -4.189 1
1 641 . 7 1 1 A 71 71 THR HA H 71 4.780 5.081 -0.301 1
1 643 . 7 1 1 A 72 72 PRO CA C 72 60.050 62.129 -2.079 1
1 644 . 7 1 1 A 72 72 PRO CB C 72 26.678 31.291 -4.613 1
1 645 . 7 1 1 A 72 72 PRO C C 72 172.920 175.863 -2.943 1
1 646 . 7 1 1 A 72 72 PRO HA H 72 4.173 4.981 -0.808 1
1 649 . 7 1 1 A 73 73 ASN H H 73 7.321 8.715 -1.394 1
1 650 . 7 1 1 A 73 73 ASN N N 73 119.200 121.344 -2.144 1
1 651 . 7 1 1 A 73 73 ASN CA C 73 49.994 51.937 -1.943 1
1 652 . 7 1 1 A 74 74 GLU H H 74 9.030 8.732 0.298 1
1 653 . 7 1 1 A 74 74 GLU CA C 74 57.131 55.275 1.856 1
1 654 . 7 1 1 A 74 74 GLU CB C 74 27.005 29.678 -2.673 1
1 655 . 7 1 1 A 74 74 GLU C C 74 176.352 176.136 0.216 1
1 656 . 7 1 1 A 74 74 GLU HA H 74 4.130 4.725 -0.595 1
1 661 . 7 1 1 A 75 75 GLU H H 75 8.574 8.644 -0.070 1
1 662 . 7 1 1 A 75 75 GLU N N 75 119.200 124.142 -4.942 1
1 663 . 7 1 1 A 75 75 GLU CA C 75 56.343 56.652 -0.309 1
1 664 . 7 1 1 A 75 75 GLU CB C 75 26.028 31.620 -5.592 1
1 665 . 7 1 1 A 75 75 GLU C C 75 173.866 176.847 -2.981 1
1 666 . 7 1 1 A 75 75 GLU HA H 75 4.206 4.607 -0.401 1
1 671 . 7 1 1 A 76 76 CYS H H 76 7.727 7.872 -0.145 1
1 672 . 7 1 1 A 76 76 CYS N N 76 113.800 118.423 -4.623 1
1 673 . 7 1 1 A 76 76 CYS CA C 76 55.635 61.285 -5.650 1
1 674 . 7 1 1 A 76 76 CYS CB C 76 26.036 27.605 -1.569 1
1 675 . 7 1 1 A 76 76 CYS C C 76 170.849 174.149 -3.300 1
1 676 . 7 1 1 A 76 76 CYS HA H 76 5.426 4.183 1.243 1
1 679 . 7 1 1 A 77 77 LEU H H 77 6.241 7.407 -1.166 1
1 680 . 7 1 1 A 77 77 LEU N N 77 118.069 117.330 0.739 1
1 681 . 7 1 1 A 77 77 LEU CA C 77 51.793 52.908 -1.115 1
1 682 . 7 1 1 A 77 77 LEU CB C 77 42.123 43.434 -1.311 1
1 683 . 7 1 1 A 77 77 LEU C C 77 173.882 175.719 -1.837 1
1 684 . 7 1 1 A 77 77 LEU HA H 77 4.555 4.182 0.373 1
1 694 . 7 1 1 A 78 78 PHE H H 78 9.067 8.292 0.775 1
1 695 . 7 1 1 A 78 78 PHE N N 78 122.377 119.292 3.085 1
1 696 . 7 1 1 A 78 78 PHE CA C 78 54.917 56.407 -1.490 1
1 697 . 7 1 1 A 78 78 PHE CB C 78 40.597 43.820 -3.223 1
1 698 . 7 1 1 A 78 78 PHE C C 78 171.853 174.576 -2.723 1
1 699 . 7 1 1 A 78 78 PHE HA H 78 5.169 5.103 0.066 1
1 702 . 7 1 1 A 79 79 LEU H H 79 9.958 8.848 1.110 1
1 703 . 7 1 1 A 79 79 LEU N N 79 122.126 123.359 -1.233 1
1 704 . 7 1 1 A 79 79 LEU CA C 79 51.232 54.454 -3.222 1
1 705 . 7 1 1 A 79 79 LEU CB C 79 38.511 43.978 -5.467 1
1 706 . 7 1 1 A 79 79 LEU C C 79 173.055 175.782 -2.727 1
1 707 . 7 1 1 A 79 79 LEU HA H 79 4.686 4.991 -0.305 1
1 713 . 7 1 1 A 80 80 GLU H H 80 8.347 8.855 -0.508 1
1 714 . 7 1 1 A 80 80 GLU N N 80 126.300 127.786 -1.486 1
1 715 . 7 1 1 A 80 80 GLU CA C 80 52.558 55.156 -2.598 1
1 716 . 7 1 1 A 80 80 GLU CB C 80 30.892 31.563 -0.671 1
1 717 . 7 1 1 A 80 80 GLU C C 80 173.355 175.247 -1.892 1
1 718 . 7 1 1 A 80 80 GLU HA H 80 4.832 5.074 -0.242 1
1 721 . 7 1 1 A 81 81 ARG H H 81 8.840 8.977 -0.137 1
1 722 . 7 1 1 A 81 81 ARG N N 81 129.522 128.713 0.809 1
1 723 . 7 1 1 A 81 81 ARG CA C 81 52.288 54.855 -2.567 1
1 724 . 7 1 1 A 81 81 ARG CB C 81 38.588 33.165 5.423 1
1 725 . 7 1 1 A 81 81 ARG C C 81 172.258 174.839 -2.581 1
1 726 . 7 1 1 A 81 81 ARG HA H 81 4.659 4.921 -0.262 1
1 732 . 7 1 1 A 82 82 LEU H H 82 8.347 8.776 -0.429 1
1 733 . 7 1 1 A 82 82 LEU N N 82 125.700 124.063 1.637 1
1 734 . 7 1 1 A 82 82 LEU CA C 82 52.631 53.858 -1.227 1
1 735 . 7 1 1 A 82 82 LEU CB C 82 40.304 42.911 -2.607 1
1 736 . 7 1 1 A 82 82 LEU C C 82 174.567 175.939 -1.372 1
1 737 . 7 1 1 A 82 82 LEU HA H 82 4.875 4.789 0.086 1
1 744 . 7 1 1 A 83 83 GLU H H 83 9.064 8.613 0.451 1
1 745 . 7 1 1 A 83 83 GLU N N 83 125.600 124.424 1.176 1
1 746 . 7 1 1 A 83 83 GLU CA C 83 51.723 55.277 -3.554 1
1 747 . 7 1 1 A 83 83 GLU CB C 83 43.703 31.029 12.674 1
1 748 . 7 1 1 A 83 83 GLU C C 83 174.885 175.271 -0.386 1
1 749 . 7 1 1 A 83 83 GLU HA H 83 4.974 5.047 -0.073 1
1 752 . 7 1 1 A 84 84 GLU H H 84 8.806 8.485 0.321 1
1 753 . 7 1 1 A 84 84 GLU N N 84 120.300 123.587 -3.287 1
1 754 . 7 1 1 A 84 84 GLU CA C 84 55.553 55.325 0.228 1
1 755 . 7 1 1 A 84 84 GLU CB C 84 27.117 32.192 -5.075 1
1 756 . 7 1 1 A 84 84 GLU C C 84 174.261 174.345 -0.084 1
1 757 . 7 1 1 A 84 84 GLU HA H 84 4.112 4.561 -0.449 1
1 761 . 7 1 1 A 85 85 ASN H H 85 8.429 8.723 -0.294 1
1 762 . 7 1 1 A 85 85 ASN N N 85 114.800 120.759 -5.959 1
1 763 . 7 1 1 A 85 85 ASN CA C 85 51.788 51.715 0.073 1
1 764 . 7 1 1 A 85 85 ASN CB C 85 35.301 37.437 -2.136 1
1 765 . 7 1 1 A 85 85 ASN C C 85 172.203 174.784 -2.581 1
1 766 . 7 1 1 A 85 85 ASN HA H 85 4.343 4.842 -0.499 1
1 769 . 7 1 1 A 86 86 HIS H H 86 8.081 8.067 0.014 1
1 770 . 7 1 1 A 86 86 HIS N N 86 108.737 113.954 -5.217 1
1 771 . 7 1 1 A 86 86 HIS CA C 86 55.255 57.117 -1.862 1
1 772 . 7 1 1 A 86 86 HIS CB C 86 24.858 26.822 -1.964 1
1 773 . 7 1 1 A 86 86 HIS C C 86 171.039 173.541 -2.502 1
1 774 . 7 1 1 A 86 86 HIS HA H 86 4.260 4.176 0.084 1
1 777 . 7 1 1 A 87 87 TYR H H 87 7.592 7.903 -0.311 1
1 778 . 7 1 1 A 87 87 TYR N N 87 117.738 117.755 -0.017 1
1 779 . 7 1 1 A 87 87 TYR CA C 87 56.163 56.129 0.034 1
1 780 . 7 1 1 A 87 87 TYR CB C 87 38.643 42.550 -3.907 1
1 781 . 7 1 1 A 87 87 TYR C C 87 171.983 175.133 -3.150 1
1 782 . 7 1 1 A 87 87 TYR HA H 87 4.836 5.084 -0.248 1
1 784 . 7 1 1 A 88 88 ASN H H 88 9.840 9.019 0.821 1
1 785 . 7 1 1 A 88 88 ASN N N 88 118.891 120.791 -1.900 1
1 786 . 7 1 1 A 88 88 ASN CA C 88 50.063 52.949 -2.886 1
1 787 . 7 1 1 A 88 88 ASN CB C 88 40.242 40.479 -0.237 1
1 788 . 7 1 1 A 88 88 ASN C C 88 172.471 174.950 -2.479 1
1 789 . 7 1 1 A 88 88 ASN HA H 88 5.837 5.262 0.575 1
1 795 . 7 1 1 A 89 89 THR H H 89 8.380 8.376 0.004 1
1 796 . 7 1 1 A 89 89 THR N N 89 108.521 116.602 -8.081 1
1 797 . 7 1 1 A 89 89 THR CA C 89 57.357 60.333 -2.976 1
1 798 . 7 1 1 A 89 89 THR CB C 89 70.868 72.698 -1.830 1
1 799 . 7 1 1 A 89 89 THR C C 89 170.548 172.459 -1.911 1
1 800 . 7 1 1 A 89 89 THR HA H 89 5.127 5.430 -0.303 1
1 805 . 7 1 1 A 90 90 TYR H H 90 10.247 9.201 1.046 1
1 806 . 7 1 1 A 90 90 TYR N N 90 119.000 122.062 -3.062 1
1 807 . 7 1 1 A 90 90 TYR CA C 90 55.106 56.241 -1.135 1
1 808 . 7 1 1 A 90 90 TYR CB C 90 39.047 42.219 -3.172 1
1 809 . 7 1 1 A 90 90 TYR C C 90 172.442 175.060 -2.618 1
1 810 . 7 1 1 A 90 90 TYR HA H 90 5.472 5.558 -0.086 1
1 812 . 7 1 1 A 91 91 ILE H H 91 8.781 9.657 -0.876 1
1 813 . 7 1 1 A 91 91 ILE N N 91 122.546 124.507 -1.961 1
1 814 . 7 1 1 A 91 91 ILE CA C 91 56.346 60.212 -3.866 1
1 815 . 7 1 1 A 91 91 ILE CB C 91 36.627 40.154 -3.527 1
1 816 . 7 1 1 A 91 91 ILE C C 91 172.924 174.967 -2.043 1
1 817 . 7 1 1 A 91 91 ILE HA H 91 4.673 4.637 0.036 1
1 826 . 7 1 1 A 92 92 SER H H 92 8.191 8.792 -0.601 1
1 827 . 7 1 1 A 92 92 SER N N 92 120.200 120.820 -0.620 1
1 828 . 7 1 1 A 92 92 SER CA C 92 55.781 57.467 -1.686 1
1 829 . 7 1 1 A 92 92 SER CB C 92 62.382 63.168 -0.786 1
1 830 . 7 1 1 A 92 92 SER C C 92 172.863 174.563 -1.700 1
1 831 . 7 1 1 A 92 92 SER HA H 92 4.016 5.042 -1.026 1
1 833 . 7 1 1 A 93 93 LYS H H 93 7.993 8.452 -0.459 1
1 834 . 7 1 1 A 93 93 LYS N N 93 130.618 127.360 3.258 1
1 835 . 7 1 1 A 93 93 LYS CA C 93 57.942 58.384 -0.442 1
1 836 . 7 1 1 A 93 93 LYS CB C 93 30.889 32.442 -1.553 1
1 837 . 7 1 1 A 93 93 LYS C C 93 176.938 178.271 -1.333 1
1 838 . 7 1 1 A 93 93 LYS HA H 93 3.779 4.309 -0.530 1
1 844 . 7 1 1 A 94 94 LYS H H 94 8.616 7.866 0.750 1
1 845 . 7 1 1 A 94 94 LYS N N 94 120.044 120.040 0.004 1
1 846 . 7 1 1 A 94 94 LYS CA C 94 55.868 59.110 -3.242 1
1 847 . 7 1 1 A 94 94 LYS CB C 94 30.329 32.770 -2.441 1
1 848 . 7 1 1 A 94 94 LYS C C 94 174.491 177.905 -3.414 1
1 849 . 7 1 1 A 94 94 LYS HA H 94 3.851 4.102 -0.251 1
1 856 . 7 1 1 A 95 95 HIS H H 95 7.249 8.706 -1.457 1
1 857 . 7 1 1 A 95 95 HIS N N 95 114.486 116.330 -1.844 1
1 858 . 7 1 1 A 95 95 HIS CA C 95 51.180 54.665 -3.485 1
1 859 . 7 1 1 A 95 95 HIS CB C 95 26.844 28.477 -1.633 1
1 860 . 7 1 1 A 95 95 HIS C C 95 173.734 175.962 -2.228 1
1 861 . 7 1 1 A 95 95 HIS HA H 95 4.604 4.881 -0.277 1
1 864 . 7 1 1 A 96 96 ALA H H 96 7.104 7.849 -0.745 1
1 865 . 7 1 1 A 96 96 ALA N N 96 125.204 124.044 1.160 1
1 866 . 7 1 1 A 96 96 ALA CA C 96 53.758 55.353 -1.595 1
1 867 . 7 1 1 A 96 96 ALA CB C 96 16.578 18.481 -1.903 1
1 868 . 7 1 1 A 96 96 ALA C C 96 178.508 179.427 -0.919 1
1 869 . 7 1 1 A 96 96 ALA HA H 96 4.131 3.904 0.227 1
1 873 . 7 1 1 A 97 97 GLU H H 97 8.857 8.627 0.230 1
1 874 . 7 1 1 A 97 97 GLU N N 97 118.007 115.868 2.139 1
1 875 . 7 1 1 A 97 97 GLU CA C 97 56.153 59.177 -3.024 1
1 876 . 7 1 1 A 97 97 GLU CB C 97 26.241 29.035 -2.794 1
1 877 . 7 1 1 A 97 97 GLU C C 97 174.813 177.583 -2.770 1
1 878 . 7 1 1 A 97 97 GLU HA H 97 4.063 4.171 -0.108 1
1 882 . 7 1 1 A 98 98 LYS H H 98 7.116 7.736 -0.620 1
1 883 . 7 1 1 A 98 98 LYS N N 98 116.241 117.612 -1.371 1
1 884 . 7 1 1 A 98 98 LYS CA C 98 52.852 56.093 -3.241 1
1 885 . 7 1 1 A 98 98 LYS CB C 98 29.959 32.541 -2.582 1
1 886 . 7 1 1 A 98 98 LYS C C 98 173.361 176.192 -2.831 1
1 887 . 7 1 1 A 98 98 LYS HA H 98 4.280 4.376 -0.096 1
1 893 . 7 1 1 A 99 99 ASN H H 99 7.842 8.238 -0.396 1
1 894 . 7 1 1 A 99 99 ASN N N 99 113.000 116.374 -3.374 1
1 895 . 7 1 1 A 99 99 ASN CA C 99 52.240 54.508 -2.268 1
1 896 . 7 1 1 A 99 99 ASN CB C 99 35.289 37.752 -2.463 1
1 897 . 7 1 1 A 99 99 ASN C C 99 170.506 175.183 -4.677 1
1 898 . 7 1 1 A 99 99 ASN HA H 99 3.772 4.282 -0.510 1
1 904 . 7 1 1 A 100 100 TRP H H 100 6.369 8.036 -1.667 1
1 905 . 7 1 1 A 100 100 TRP N N 100 116.000 121.035 -5.035 1
1 906 . 7 1 1 A 100 100 TRP CA C 100 53.179 58.204 -5.025 1
1 907 . 7 1 1 A 100 100 TRP CB C 100 28.228 30.214 -1.986 1
1 908 . 7 1 1 A 100 100 TRP C C 100 171.701 176.200 -4.499 1
1 909 . 7 1 1 A 100 100 TRP HA H 100 4.816 4.650 0.166 1
1 912 . 7 1 1 A 101 101 PHE H H 101 8.026 8.660 -0.634 1
1 913 . 7 1 1 A 101 101 PHE N N 101 124.185 122.519 1.666 1
1 914 . 7 1 1 A 101 101 PHE CA C 101 55.472 56.567 -1.095 1
1 915 . 7 1 1 A 101 101 PHE CB C 101 39.220 41.724 -2.504 1
1 916 . 7 1 1 A 101 101 PHE C C 101 175.044 175.440 -0.396 1
1 917 . 7 1 1 A 101 101 PHE HA H 101 5.373 5.124 0.249 1
1 920 . 7 1 1 A 102 102 VAL H H 102 8.499 9.015 -0.516 1
1 921 . 7 1 1 A 102 102 VAL N N 102 120.282 123.103 -2.821 1
1 922 . 7 1 1 A 102 102 VAL CA C 102 60.975 61.545 -0.570 1
1 923 . 7 1 1 A 102 102 VAL CB C 102 30.243 31.378 -1.135 1
1 924 . 7 1 1 A 102 102 VAL C C 102 174.220 175.647 -1.427 1
1 925 . 7 1 1 A 102 102 VAL HA H 102 3.939 4.267 -0.328 1
1 930 . 7 1 1 A 103 103 GLY H H 103 8.996 8.742 0.254 1
1 931 . 7 1 1 A 103 103 GLY N N 103 114.668 115.634 -0.966 1
1 932 . 7 1 1 A 103 103 GLY CA C 103 43.802 44.634 -0.832 1
1 933 . 7 1 1 A 103 103 GLY C C 103 169.388 172.471 -3.083 1
1 934 . 7 1 1 A 103 103 GLY HA2 H 103 5.275 4.207 1.068 1
1 935 . 7 1 1 A 103 103 GLY HA3 H 103 3.180 4.467 -1.287 1
1 936 . 7 1 1 A 104 104 LEU H H 104 8.118 8.815 -0.697 1
1 937 . 7 1 1 A 104 104 LEU N N 104 119.100 125.327 -6.227 1
1 938 . 7 1 1 A 104 104 LEU CA C 104 51.207 53.931 -2.724 1
1 939 . 7 1 1 A 104 104 LEU CB C 104 43.579 45.805 -2.226 1
1 940 . 7 1 1 A 104 104 LEU C C 104 174.252 174.475 -0.223 1
1 941 . 7 1 1 A 104 104 LEU HA H 104 4.959 5.097 -0.138 1
1 950 . 7 1 1 A 105 105 LYS H H 105 8.847 8.533 0.314 1
1 951 . 7 1 1 A 105 105 LYS N N 105 118.900 127.567 -8.667 1
1 952 . 7 1 1 A 105 105 LYS CA C 105 54.035 55.429 -1.394 1
1 953 . 7 1 1 A 105 105 LYS C C 105 176.404 176.739 -0.335 1
1 954 . 7 1 1 A 105 105 LYS HA H 105 4.215 4.558 -0.343 1
1 960 . 7 1 1 A 106 106 LYS H H 106 8.980 8.382 0.598 1
1 961 . 7 1 1 A 106 106 LYS N N 106 122.172 125.162 -2.990 1
1 962 . 7 1 1 A 106 106 LYS CA C 106 57.672 58.802 -1.130 1
1 963 . 7 1 1 A 106 106 LYS CB C 106 29.780 31.977 -2.197 1
1 964 . 7 1 1 A 106 106 LYS C C 106 174.499 178.501 -4.002 1
1 965 . 7 1 1 A 106 106 LYS HA H 106 3.624 4.059 -0.435 1
1 970 . 7 1 1 A 107 107 ASN H H 107 7.352 7.782 -0.430 1
1 971 . 7 1 1 A 107 107 ASN N N 107 112.743 118.507 -5.764 1
1 972 . 7 1 1 A 107 107 ASN CA C 107 49.523 54.871 -5.348 1
1 973 . 7 1 1 A 107 107 ASN CB C 107 35.121 38.186 -3.065 1
1 974 . 7 1 1 A 107 107 ASN C C 107 174.511 176.580 -2.069 1
1 975 . 7 1 1 A 107 107 ASN HA H 107 4.678 4.559 0.119 1
1 978 . 7 1 1 A 108 108 GLY H H 108 7.656 7.780 -0.124 1
1 979 . 7 1 1 A 108 108 GLY N N 108 109.900 107.651 2.249 1
1 980 . 7 1 1 A 108 108 GLY CA C 108 42.207 45.556 -3.349 1
1 981 . 7 1 1 A 108 108 GLY C C 108 169.305 173.491 -4.186 1
1 982 . 7 1 1 A 108 108 GLY HA3 H 108 3.358 3.952 -0.594 1
1 983 . 7 1 1 A 108 108 GLY HA2 H 108 2.111 3.839 -1.728 1
1 984 . 7 1 1 A 109 109 SER H H 109 7.280 7.565 -0.285 1
1 985 . 7 1 1 A 109 109 SER N N 109 112.357 111.523 0.834 1
1 986 . 7 1 1 A 109 109 SER CA C 109 55.139 57.823 -2.684 1
1 987 . 7 1 1 A 109 109 SER CB C 109 62.749 67.437 -4.688 1
1 988 . 7 1 1 A 109 109 SER C C 109 171.244 171.857 -0.613 1
1 989 . 7 1 1 A 109 109 SER HA H 109 4.755 5.022 -0.267 1
1 992 . 7 1 1 A 110 110 CYS H H 110 9.070 8.564 0.506 1
1 993 . 7 1 1 A 110 110 CYS N N 110 119.883 122.567 -2.684 1
1 994 . 7 1 1 A 110 110 CYS CA C 110 57.858 57.928 -0.070 1
1 995 . 7 1 1 A 110 110 CYS CB C 110 37.322 27.967 9.355 1
1 996 . 7 1 1 A 110 110 CYS C C 110 172.131 173.881 -1.750 1
1 997 . 7 1 1 A 110 110 CYS HA H 110 4.296 4.765 -0.469 1
1 1000 . 7 1 1 A 111 111 LYS H H 111 8.095 8.419 -0.324 1
1 1001 . 7 1 1 A 111 111 LYS N N 111 128.642 124.978 3.664 1
1 1002 . 7 1 1 A 111 111 LYS CA C 111 52.117 55.071 -2.954 1
1 1003 . 7 1 1 A 111 111 LYS CB C 111 30.980 34.416 -3.436 1
1 1004 . 7 1 1 A 111 111 LYS C C 111 172.265 175.316 -3.051 1
1 1005 . 7 1 1 A 111 111 LYS HA H 111 4.380 5.144 -0.764 1
1 1010 . 7 1 1 A 112 112 ARG H H 112 8.566 8.229 0.337 1
1 1011 . 7 1 1 A 112 112 ARG N N 112 124.700 124.497 0.203 1
1 1012 . 7 1 1 A 112 112 ARG CA C 112 54.295 54.528 -0.233 1
1 1013 . 7 1 1 A 112 112 ARG CB C 112 28.927 31.395 -2.468 1
1 1014 . 7 1 1 A 112 112 ARG C C 112 175.240 175.785 -0.545 1
1 1015 . 7 1 1 A 112 112 ARG HA H 112 4.252 4.732 -0.480 1
1 1021 . 7 1 1 A 113 113 GLY H H 113 9.408 8.650 0.758 1
1 1022 . 7 1 1 A 113 113 GLY N N 113 106.636 112.490 -5.854 1
1 1023 . 7 1 1 A 113 113 GLY CA C 113 44.552 46.816 -2.264 1
1 1024 . 7 1 1 A 113 113 GLY C C 113 169.610 175.048 -5.438 1
1 1025 . 7 1 1 A 113 113 GLY HA2 H 113 1.510 3.068 -1.558 1
1 1026 . 7 1 1 A 114 114 PRO CA C 114 62.529 65.849 -3.320 1
1 1027 . 7 1 1 A 114 114 PRO C C 114 174.543 177.231 -2.688 1
1 1028 . 7 1 1 A 114 114 PRO HA H 114 4.321 4.333 -0.012 1
1 1033 . 7 1 1 A 115 115 ARG H H 115 8.067 8.185 -0.118 1
1 1034 . 7 1 1 A 115 115 ARG N N 115 114.500 116.080 -1.580 1
1 1035 . 7 1 1 A 115 115 ARG CA C 115 52.011 55.236 -3.225 1
1 1036 . 7 1 1 A 115 115 ARG CB C 115 27.143 30.510 -3.367 1
1 1037 . 7 1 1 A 115 115 ARG C C 115 174.680 175.472 -0.792 1
1 1038 . 7 1 1 A 115 115 ARG HA H 115 4.508 4.543 -0.035 1
1 1043 . 7 1 1 A 116 116 THR H H 116 7.643 7.155 0.488 1
1 1044 . 7 1 1 A 116 116 THR N N 116 111.716 112.404 -0.688 1
1 1045 . 7 1 1 A 116 116 THR CA C 116 58.712 61.864 -3.152 1
1 1046 . 7 1 1 A 116 116 THR CB C 116 70.086 68.951 1.135 1
1 1047 . 7 1 1 A 116 116 THR C C 116 172.573 173.777 -1.204 1
1 1048 . 7 1 1 A 116 116 THR HA H 116 5.198 4.163 1.035 1
1 1053 . 7 1 1 A 117 117 HIS H H 117 7.091 8.172 -1.081 1
1 1054 . 7 1 1 A 117 117 HIS N N 117 112.914 122.460 -9.546 1
1 1055 . 7 1 1 A 117 117 HIS CA C 117 53.291 55.054 -1.763 1
1 1056 . 7 1 1 A 117 117 HIS CB C 117 29.133 31.033 -1.900 1
1 1057 . 7 1 1 A 117 117 HIS C C 117 170.344 171.969 -1.625 1
1 1058 . 7 1 1 A 117 117 HIS HA H 117 4.868 3.835 1.033 1
1 1061 . 7 1 1 A 118 118 TYR H H 118 9.020 7.806 1.214 1
1 1062 . 7 1 1 A 118 118 TYR N N 118 123.051 119.339 3.712 1
1 1063 . 7 1 1 A 118 118 TYR CA C 118 58.801 56.432 2.369 1
1 1064 . 7 1 1 A 118 118 TYR CB C 118 29.959 36.717 -6.758 1
1 1065 . 7 1 1 A 118 118 TYR C C 118 174.446 175.901 -1.455 1
1 1066 . 7 1 1 A 118 118 TYR HA H 118 3.897 4.421 -0.524 1
1 1069 . 7 1 1 A 119 119 GLY H H 119 7.999 8.783 -0.784 1
1 1070 . 7 1 1 A 119 119 GLY N N 119 116.885 112.263 4.622 1
1 1071 . 7 1 1 A 119 119 GLY CA C 119 42.599 45.875 -3.276 1
1 1072 . 7 1 1 A 119 119 GLY C C 119 172.439 173.561 -1.122 1
1 1073 . 7 1 1 A 119 119 GLY HA3 H 119 4.385 3.992 0.393 1
1 1074 . 7 1 1 A 119 119 GLY HA2 H 119 3.296 3.958 -0.662 1
1 1075 . 7 1 1 A 120 120 GLN H H 120 7.003 7.557 -0.554 1
1 1076 . 7 1 1 A 120 120 GLN N N 120 118.266 118.488 -0.222 1
1 1077 . 7 1 1 A 120 120 GLN CA C 120 52.617 53.893 -1.276 1
1 1078 . 7 1 1 A 120 120 GLN CB C 120 27.324 32.555 -5.231 1
1 1079 . 7 1 1 A 120 120 GLN C C 120 174.995 175.712 -0.717 1
1 1080 . 7 1 1 A 120 120 GLN HA H 120 4.262 4.720 -0.458 1
1 1083 . 7 1 1 A 121 121 LYS H H 121 8.477 8.819 -0.342 1
1 1084 . 7 1 1 A 121 121 LYS N N 121 121.222 123.635 -2.413 1
1 1085 . 7 1 1 A 121 121 LYS CA C 121 56.243 57.397 -1.154 1
1 1086 . 7 1 1 A 121 121 LYS CB C 121 29.598 32.011 -2.413 1
1 1087 . 7 1 1 A 121 121 LYS C C 121 172.702 177.145 -4.443 1
1 1088 . 7 1 1 A 121 121 LYS HA H 121 3.809 4.283 -0.474 1
1 1093 . 7 1 1 A 122 122 ALA H H 122 7.526 7.505 0.021 1
1 1094 . 7 1 1 A 122 122 ALA N N 122 116.019 121.680 -5.661 1
1 1095 . 7 1 1 A 122 122 ALA CA C 122 52.338 53.620 -1.282 1
1 1096 . 7 1 1 A 122 122 ALA CB C 122 18.675 18.513 0.162 1
1 1097 . 7 1 1 A 122 122 ALA C C 122 172.756 177.487 -4.731 1
1 1098 . 7 1 1 A 122 122 ALA HA H 122 3.947 4.080 -0.133 1
1 1102 . 7 1 1 A 123 123 ILE H H 123 5.794 7.124 -1.330 1
1 1103 . 7 1 1 A 123 123 ILE N N 123 101.200 113.971 -12.771 1
1 1104 . 7 1 1 A 123 123 ILE CA C 123 57.297 60.627 -3.330 1
1 1105 . 7 1 1 A 123 123 ILE CB C 123 35.425 37.432 -2.007 1
1 1106 . 7 1 1 A 123 123 ILE C C 123 172.790 175.592 -2.802 1
1 1107 . 7 1 1 A 123 123 ILE HA H 123 5.184 3.701 1.483 1
1 1116 . 7 1 1 A 124 124 LEU H H 124 6.716 6.826 -0.110 1
1 1117 . 7 1 1 A 124 124 LEU N N 124 121.554 124.888 -3.334 1
1 1118 . 7 1 1 A 124 124 LEU CA C 124 51.686 53.404 -1.718 1
1 1119 . 7 1 1 A 124 124 LEU CB C 124 39.622 42.683 -3.061 1
1 1120 . 7 1 1 A 124 124 LEU C C 124 173.411 174.587 -1.176 1
1 1121 . 7 1 1 A 124 124 LEU HA H 124 4.597 4.528 0.069 1
1 1130 . 7 1 1 A 125 125 PHE H H 125 9.226 9.077 0.149 1
1 1131 . 7 1 1 A 125 125 PHE N N 125 121.900 126.757 -4.857 1
1 1132 . 7 1 1 A 125 125 PHE CA C 125 54.604 57.047 -2.443 1
1 1133 . 7 1 1 A 125 125 PHE CB C 125 41.692 41.619 0.073 1
1 1134 . 7 1 1 A 125 125 PHE C C 125 172.768 175.548 -2.780 1
1 1135 . 7 1 1 A 125 125 PHE HA H 125 5.612 5.185 0.427 1
1 1138 . 7 1 1 A 126 126 LEU H H 126 9.932 8.854 1.078 1
1 1139 . 7 1 1 A 126 126 LEU N N 126 125.427 122.416 3.011 1
1 1140 . 7 1 1 A 126 126 LEU CA C 126 48.875 51.339 -2.464 1
1 1141 . 7 1 1 A 127 127 PRO CA C 127 58.907 62.164 -3.257 1
1 1142 . 7 1 1 A 127 127 PRO CB C 127 28.730 31.912 -3.182 1
1 1143 . 7 1 1 A 127 127 PRO C C 127 174.541 176.187 -1.646 1
1 1144 . 7 1 1 A 127 127 PRO HA H 127 5.587 5.103 0.484 1
1 1147 . 7 1 1 A 128 128 LEU H H 128 9.674 8.639 1.035 1
1 1148 . 7 1 1 A 128 128 LEU N N 128 129.196 124.956 4.240 1
1 1149 . 7 1 1 A 128 128 LEU CA C 128 49.523 52.081 -2.558 1
1 1150 . 7 1 1 A 128 128 LEU C C 128 175.960 175.149 0.811 1
1 1151 . 7 1 1 A 129 129 PRO CA C 129 60.043 62.189 -2.146 1
1 1152 . 7 1 1 A 129 129 PRO CB C 129 29.800 32.244 -2.444 1
1 1153 . 7 1 1 A 129 129 PRO C C 129 174.414 176.092 -1.678 1
1 1154 . 7 1 1 A 129 129 PRO HA H 129 4.710 4.676 0.034 1
1 1160 . 7 1 1 A 130 130 VAL H H 130 7.992 8.129 -0.137 1
1 1161 . 7 1 1 A 130 130 VAL N N 130 118.275 121.614 -3.339 1
1 1162 . 7 1 1 A 130 130 VAL CA C 130 61.494 61.976 -0.482 1
1 1163 . 7 1 1 A 130 130 VAL CB C 130 29.649 31.004 -1.355 1
1 1164 . 7 1 1 A 130 130 VAL C C 130 174.097 175.727 -1.630 1
1 1165 . 7 1 1 A 130 130 VAL HA H 130 3.794 4.209 -0.415 1
1 1173 . 7 1 1 A 131 131 SER H H 131 7.844 8.832 -0.988 1
1 1174 . 7 1 1 A 131 131 SER N N 131 115.853 124.358 -8.505 1
1 1175 . 7 1 1 A 131 131 SER CA C 131 55.233 57.968 -2.735 1
1 1176 . 7 1 1 A 131 131 SER CB C 131 61.375 64.928 -3.553 1
1 1177 . 7 1 1 A 131 131 SER C C 131 173.574 173.950 -0.376 1
1 1178 . 7 1 1 A 131 131 SER HA H 131 4.218 5.062 -0.844 1
1 1181 . 7 1 1 A 132 132 SER H H 132 8.196 8.684 -0.488 1
1 1182 . 7 1 1 A 132 132 SER N N 132 118.100 121.161 -3.061 1
1 1183 . 7 1 1 A 132 132 SER CA C 132 56.021 58.353 -2.332 1
1 1184 . 7 1 1 A 132 132 SER CB C 132 61.848 63.846 -1.998 1
1 1185 . 7 1 1 A 132 132 SER C C 132 170.997 173.074 -2.077 1
1 1186 . 7 1 1 A 132 132 SER HA H 132 4.484 5.002 -0.518 1
1 12 . 8 1 1 A 2 2 LYS H H 2 7.955 7.703 0.252 1
1 13 . 8 1 1 A 2 2 LYS N N 2 120.000 120.804 -0.804 1
1 14 . 8 1 1 A 2 2 LYS CA C 2 51.913 55.195 -3.282 1
1 15 . 8 1 1 A 2 2 LYS C C 2 174.300 176.096 -1.796 1
1 16 . 8 1 1 A 2 2 LYS HA H 2 4.270 5.020 -0.750 1
1 18 . 8 1 1 A 3 3 LYS H H 3 7.960 8.501 -0.541 1
1 19 . 8 1 1 A 3 3 LYS N N 3 119.640 123.041 -3.401 1
1 20 . 8 1 1 A 3 3 LYS CA C 3 51.900 53.440 -1.540 1
1 21 . 8 1 1 A 3 3 LYS HA H 3 4.600 4.764 -0.164 1
1 24 . 8 1 1 A 4 4 PRO CA C 4 60.687 63.260 -2.573 1
1 25 . 8 1 1 A 4 4 PRO C C 4 172.359 177.323 -4.964 1
1 26 . 8 1 1 A 4 4 PRO CB C 4 30.627 31.819 -1.192 1
1 27 . 8 1 1 A 4 4 PRO HA H 4 4.716 4.458 0.258 1
1 29 . 8 1 1 A 5 5 LYS H H 5 9.357 8.540 0.817 1
1 30 . 8 1 1 A 5 5 LYS N N 5 119.100 121.917 -2.817 1
1 31 . 8 1 1 A 5 5 LYS CA C 5 51.445 56.371 -4.926 1
1 32 . 8 1 1 A 5 5 LYS CB C 5 34.945 33.454 1.491 1
1 33 . 8 1 1 A 5 5 LYS C C 5 171.776 175.781 -4.005 1
1 34 . 8 1 1 A 5 5 LYS HA H 5 5.062 4.612 0.450 1
1 37 . 8 1 1 A 6 6 LEU H H 6 8.944 9.152 -0.208 1
1 38 . 8 1 1 A 6 6 LEU N N 6 117.400 123.710 -6.310 1
1 39 . 8 1 1 A 6 6 LEU CA C 6 50.259 53.611 -3.352 1
1 40 . 8 1 1 A 6 6 LEU CB C 6 41.472 45.071 -3.599 1
1 41 . 8 1 1 A 6 6 LEU C C 6 174.676 175.300 -0.624 1
1 42 . 8 1 1 A 6 6 LEU HA H 6 4.984 5.099 -0.115 1
1 51 . 8 1 1 A 7 7 LEU H H 7 10.297 8.859 1.438 1
1 52 . 8 1 1 A 7 7 LEU N N 7 125.000 128.220 -3.220 1
1 53 . 8 1 1 A 7 7 LEU CA C 7 53.596 53.557 0.039 1
1 54 . 8 1 1 A 7 7 LEU C C 7 172.290 175.070 -2.780 1
1 55 . 8 1 1 A 7 7 LEU HA H 7 5.083 5.060 0.023 1
1 65 . 8 1 1 A 8 8 TYR H H 8 8.483 8.709 -0.226 1
1 66 . 8 1 1 A 8 8 TYR N N 8 125.000 128.380 -3.380 1
1 67 . 8 1 1 A 8 8 TYR CA C 8 54.761 55.521 -0.760 1
1 68 . 8 1 1 A 8 8 TYR CB C 8 37.988 40.502 -2.514 1
1 69 . 8 1 1 A 8 8 TYR C C 8 171.270 173.965 -2.695 1
1 70 . 8 1 1 A 8 8 TYR HA H 8 4.592 5.260 -0.668 1
1 73 . 8 1 1 A 9 9 CYS H H 9 9.235 8.864 0.371 1
1 74 . 8 1 1 A 9 9 CYS N N 9 130.104 125.600 4.504 1
1 75 . 8 1 1 A 9 9 CYS CA C 9 55.588 57.221 -1.633 1
1 76 . 8 1 1 A 9 9 CYS CB C 9 26.864 29.703 -2.839 1
1 77 . 8 1 1 A 9 9 CYS C C 9 172.619 173.365 -0.746 1
1 78 . 8 1 1 A 9 9 CYS HA H 9 4.163 5.381 -1.218 1
1 82 . 8 1 1 A 10 10 SER H H 10 8.173 8.278 -0.105 1
1 83 . 8 1 1 A 10 10 SER N N 10 122.600 121.634 0.966 1
1 84 . 8 1 1 A 10 10 SER CA C 10 57.853 57.618 0.235 1
1 85 . 8 1 1 A 10 10 SER CB C 10 61.820 63.402 -1.582 1
1 86 . 8 1 1 A 10 10 SER C C 10 172.210 172.886 -0.676 1
1 87 . 8 1 1 A 10 10 SER HA H 10 3.920 4.482 -0.562 1
1 89 . 8 1 1 A 11 11 ASN H H 11 7.450 8.333 -0.883 1
1 90 . 8 1 1 A 11 11 ASN N N 11 119.550 125.330 -5.780 1
1 91 . 8 1 1 A 11 11 ASN CA C 11 52.430 51.454 0.976 1
1 92 . 8 1 1 A 11 11 ASN HA H 11 4.360 5.169 -0.809 1
1 94 . 8 1 1 A 12 12 GLY C C 12 171.806 174.552 -2.746 1
1 95 . 8 1 1 A 12 12 GLY CA C 12 41.915 47.156 -5.241 1
1 96 . 8 1 1 A 12 12 GLY HA3 H 12 3.927 3.960 -0.033 1
1 97 . 8 1 1 A 12 12 GLY H H 12 7.096 8.584 -1.488 1
1 98 . 8 1 1 A 12 12 GLY N N 12 109.300 110.892 -1.592 1
1 99 . 8 1 1 A 13 13 GLY H H 13 7.096 9.115 -2.019 1
1 100 . 8 1 1 A 13 13 GLY N N 13 109.300 111.294 -1.994 1
1 101 . 8 1 1 A 13 13 GLY CA C 13 44.272 46.201 -1.929 1
1 102 . 8 1 1 A 13 13 GLY C C 13 170.445 174.135 -3.690 1
1 103 . 8 1 1 A 13 13 GLY HA2 H 13 3.598 4.012 -0.414 1
1 104 . 8 1 1 A 13 13 GLY HA3 H 13 3.204 4.059 -0.855 1
1 105 . 8 1 1 A 14 14 HIS H H 14 6.302 7.926 -1.624 1
1 106 . 8 1 1 A 14 14 HIS N N 14 113.600 118.359 -4.759 1
1 107 . 8 1 1 A 14 14 HIS CA C 14 54.319 54.380 -0.061 1
1 108 . 8 1 1 A 14 14 HIS CB C 14 31.792 34.112 -2.320 1
1 109 . 8 1 1 A 14 14 HIS C C 14 171.281 173.715 -2.434 1
1 110 . 8 1 1 A 14 14 HIS HA H 14 4.104 5.066 -0.962 1
1 113 . 8 1 1 A 15 15 PHE H H 15 9.298 8.743 0.555 1
1 114 . 8 1 1 A 15 15 PHE N N 15 120.700 117.775 2.925 1
1 115 . 8 1 1 A 15 15 PHE CA C 15 54.273 56.244 -1.971 1
1 116 . 8 1 1 A 15 15 PHE CB C 15 37.632 42.127 -4.495 1
1 117 . 8 1 1 A 15 15 PHE C C 15 173.938 174.110 -0.172 1
1 118 . 8 1 1 A 15 15 PHE HA H 15 5.390 5.017 0.373 1
1 121 . 8 1 1 A 16 16 LEU H H 16 8.480 8.401 0.079 1
1 122 . 8 1 1 A 16 16 LEU N N 16 124.700 126.307 -1.607 1
1 123 . 8 1 1 A 16 16 LEU CA C 16 54.440 54.470 -0.030 1
1 124 . 8 1 1 A 16 16 LEU C C 16 171.758 175.941 -4.183 1
1 125 . 8 1 1 A 16 16 LEU CB C 16 41.301 43.447 -2.146 1
1 126 . 8 1 1 A 16 16 LEU HA H 16 4.394 5.600 -1.206 1
1 129 . 8 1 1 A 17 17 ARG H H 17 9.339 9.409 -0.070 1
1 130 . 8 1 1 A 17 17 ARG N N 17 126.971 124.100 2.871 1
1 131 . 8 1 1 A 17 17 ARG CA C 17 53.301 54.330 -1.029 1
1 132 . 8 1 1 A 17 17 ARG CB C 17 32.620 33.898 -1.278 1
1 133 . 8 1 1 A 17 17 ARG C C 17 171.302 175.076 -3.774 1
1 134 . 8 1 1 A 17 17 ARG HA H 17 4.715 5.025 -0.310 1
1 141 . 8 1 1 A 18 18 ILE H H 18 6.989 8.145 -1.156 1
1 142 . 8 1 1 A 18 18 ILE N N 18 120.966 118.645 2.321 1
1 143 . 8 1 1 A 18 18 ILE CA C 18 57.903 59.654 -1.751 1
1 144 . 8 1 1 A 18 18 ILE C C 18 173.747 175.736 -1.989 1
1 145 . 8 1 1 A 18 18 ILE HA H 18 4.563 5.202 -0.639 1
1 150 . 8 1 1 A 19 19 LEU H H 19 8.940 8.462 0.478 1
1 151 . 8 1 1 A 19 19 LEU N N 19 128.097 122.078 6.019 1
1 152 . 8 1 1 A 19 19 LEU CA C 19 51.419 50.882 0.537 1
1 153 . 8 1 1 A 20 20 PRO CA C 20 62.710 64.000 -1.290 1
1 154 . 8 1 1 A 20 20 PRO CB C 20 29.518 32.203 -2.685 1
1 155 . 8 1 1 A 20 20 PRO C C 20 173.966 177.249 -3.283 1
1 156 . 8 1 1 A 20 20 PRO HA H 20 4.319 4.889 -0.570 1
1 161 . 8 1 1 A 21 21 ASP H H 21 7.415 7.895 -0.480 1
1 162 . 8 1 1 A 21 21 ASP N N 21 114.000 118.233 -4.233 1
1 163 . 8 1 1 A 21 21 ASP CA C 21 51.361 54.648 -3.287 1
1 164 . 8 1 1 A 21 21 ASP CB C 21 37.419 41.433 -4.014 1
1 165 . 8 1 1 A 21 21 ASP C C 21 174.570 176.308 -1.738 1
1 166 . 8 1 1 A 21 21 ASP HA H 21 4.513 4.696 -0.183 1
1 169 . 8 1 1 A 22 22 GLY H H 22 8.404 7.987 0.417 1
1 170 . 8 1 1 A 22 22 GLY N N 22 109.100 107.596 1.504 1
1 171 . 8 1 1 A 22 22 GLY CA C 22 43.166 45.215 -2.049 1
1 172 . 8 1 1 A 22 22 GLY C C 22 172.565 174.066 -1.501 1
1 173 . 8 1 1 A 22 22 GLY HA3 H 22 4.632 4.127 0.505 1
1 174 . 8 1 1 A 22 22 GLY HA2 H 22 3.838 4.125 -0.287 1
1 175 . 8 1 1 A 23 23 THR H H 23 7.894 7.226 0.668 1
1 176 . 8 1 1 A 23 23 THR N N 23 116.800 114.820 1.980 1
1 177 . 8 1 1 A 23 23 THR CA C 23 61.304 61.194 0.110 1
1 178 . 8 1 1 A 23 23 THR CB C 23 67.455 71.640 -4.185 1
1 179 . 8 1 1 A 23 23 THR C C 23 170.170 172.882 -2.712 1
1 180 . 8 1 1 A 23 23 THR HA H 23 4.489 4.843 -0.354 1
1 185 . 8 1 1 A 24 24 VAL H H 24 7.792 8.930 -1.138 1
1 186 . 8 1 1 A 24 24 VAL N N 24 123.100 125.293 -2.193 1
1 187 . 8 1 1 A 24 24 VAL CA C 24 58.203 60.030 -1.827 1
1 188 . 8 1 1 A 24 24 VAL CB C 24 31.847 34.031 -2.184 1
1 189 . 8 1 1 A 24 24 VAL C C 24 171.629 174.269 -2.640 1
1 190 . 8 1 1 A 24 24 VAL HA H 24 5.084 5.249 -0.165 1
1 195 . 8 1 1 A 25 25 ASP H H 25 8.906 8.788 0.118 1
1 196 . 8 1 1 A 25 25 ASP N N 25 131.200 126.388 4.812 1
1 197 . 8 1 1 A 25 25 ASP CA C 25 50.847 52.268 -1.421 1
1 198 . 8 1 1 A 25 25 ASP CB C 25 38.730 44.536 -5.806 1
1 199 . 8 1 1 A 25 25 ASP C C 25 170.281 174.967 -4.686 1
1 200 . 8 1 1 A 25 25 ASP HA H 25 4.313 5.299 -0.986 1
1 203 . 8 1 1 A 26 26 GLY H H 26 7.891 8.769 -0.878 1
1 204 . 8 1 1 A 26 26 GLY N N 26 102.500 107.051 -4.551 1
1 205 . 8 1 1 A 26 26 GLY CA C 26 42.057 44.633 -2.576 1
1 206 . 8 1 1 A 26 26 GLY C C 26 169.975 172.665 -2.690 1
1 207 . 8 1 1 A 26 26 GLY HA3 H 26 5.529 4.121 1.408 1
1 208 . 8 1 1 A 26 26 GLY HA2 H 26 3.015 4.117 -1.102 1
1 209 . 8 1 1 A 27 27 THR H H 27 8.529 9.077 -0.548 1
1 210 . 8 1 1 A 27 27 THR N N 27 112.700 118.390 -5.690 1
1 211 . 8 1 1 A 27 27 THR CA C 27 56.740 60.690 -3.950 1
1 212 . 8 1 1 A 27 27 THR CB C 27 67.326 72.427 -5.101 1
1 213 . 8 1 1 A 27 27 THR C C 27 170.554 172.523 -1.969 1
1 214 . 8 1 1 A 27 27 THR HA H 27 5.189 4.099 1.090 1
1 219 . 8 1 1 A 28 28 ARG H H 28 8.993 8.617 0.376 1
1 220 . 8 1 1 A 28 28 ARG N N 28 127.500 126.740 0.760 1
1 221 . 8 1 1 A 28 28 ARG CA C 28 54.938 56.201 -1.263 1
1 222 . 8 1 1 A 28 28 ARG CB C 28 37.260 31.163 6.097 1
1 223 . 8 1 1 A 28 28 ARG C C 28 173.450 174.938 -1.488 1
1 224 . 8 1 1 A 28 28 ARG HA H 28 4.691 5.055 -0.364 1
1 227 . 8 1 1 A 29 29 ASP H H 29 8.323 8.625 -0.302 1
1 228 . 8 1 1 A 29 29 ASP N N 29 121.000 126.367 -5.367 1
1 229 . 8 1 1 A 29 29 ASP CA C 29 50.779 53.980 -3.201 1
1 230 . 8 1 1 A 29 29 ASP C C 29 172.275 175.002 -2.727 1
1 231 . 8 1 1 A 29 29 ASP HA H 29 4.661 4.947 -0.286 1
1 234 . 8 1 1 A 30 30 ARG H H 30 8.342 8.411 -0.069 1
1 235 . 8 1 1 A 30 30 ARG N N 30 126.100 122.456 3.644 1
1 236 . 8 1 1 A 30 30 ARG CA C 30 54.924 54.956 -0.032 1
1 237 . 8 1 1 A 30 30 ARG CB C 30 28.367 30.279 -1.912 1
1 238 . 8 1 1 A 30 30 ARG C C 30 173.454 176.754 -3.300 1
1 239 . 8 1 1 A 30 30 ARG HA H 30 3.592 4.555 -0.963 1
1 243 . 8 1 1 A 31 31 SER H H 31 8.379 7.751 0.628 1
1 244 . 8 1 1 A 31 31 SER N N 31 113.600 115.089 -1.489 1
1 245 . 8 1 1 A 31 31 SER CA C 31 55.918 58.897 -2.979 1
1 246 . 8 1 1 A 31 31 SER CB C 31 61.807 64.134 -2.327 1
1 247 . 8 1 1 A 31 31 SER C C 31 171.758 173.203 -1.445 1
1 248 . 8 1 1 A 31 31 SER HA H 31 4.397 4.389 0.008 1
1 251 . 8 1 1 A 32 32 ASP H H 32 7.105 7.609 -0.504 1
1 252 . 8 1 1 A 32 32 ASP N N 32 125.000 119.323 5.677 1
1 253 . 8 1 1 A 32 32 ASP CA C 32 53.116 51.922 1.194 1
1 254 . 8 1 1 A 32 32 ASP CB C 32 41.585 43.451 -1.866 1
1 255 . 8 1 1 A 32 32 ASP C C 32 174.497 175.102 -0.605 1
1 256 . 8 1 1 A 32 32 ASP HA H 32 4.276 4.875 -0.599 1
1 259 . 8 1 1 A 33 33 GLN H H 33 8.775 8.164 0.611 1
1 260 . 8 1 1 A 33 33 GLN N N 33 124.700 120.603 4.097 1
1 261 . 8 1 1 A 33 33 GLN CA C 33 55.127 55.120 0.007 1
1 262 . 8 1 1 A 33 33 GLN CB C 33 26.601 27.941 -1.340 1
1 263 . 8 1 1 A 33 33 GLN C C 33 174.900 175.269 -0.369 1
1 264 . 8 1 1 A 33 33 GLN HA H 33 4.061 4.493 -0.432 1
1 271 . 8 1 1 A 34 34 HIS H H 34 9.681 8.146 1.535 1
1 272 . 8 1 1 A 34 34 HIS N N 34 116.700 119.363 -2.663 1
1 273 . 8 1 1 A 34 34 HIS CA C 34 55.739 56.812 -1.073 1
1 274 . 8 1 1 A 34 34 HIS CB C 34 26.065 31.633 -5.568 1
1 275 . 8 1 1 A 34 34 HIS C C 34 172.307 176.403 -4.096 1
1 276 . 8 1 1 A 34 34 HIS HA H 34 4.885 4.681 0.204 1
1 279 . 8 1 1 A 35 35 ILE H H 35 6.711 7.392 -0.681 1
1 280 . 8 1 1 A 35 35 ILE N N 35 108.600 109.705 -1.105 1
1 281 . 8 1 1 A 35 35 ILE CA C 35 58.395 60.613 -2.218 1
1 282 . 8 1 1 A 35 35 ILE CB C 35 35.989 37.260 -1.271 1
1 283 . 8 1 1 A 35 35 ILE C C 35 172.249 176.177 -3.928 1
1 284 . 8 1 1 A 35 35 ILE HA H 35 5.114 4.311 0.803 1
1 293 . 8 1 1 A 36 36 GLN H H 36 7.148 7.958 -0.810 1
1 294 . 8 1 1 A 36 36 GLN N N 36 120.018 121.392 -1.374 1
1 295 . 8 1 1 A 36 36 GLN CA C 36 55.111 54.898 0.213 1
1 296 . 8 1 1 A 36 36 GLN CB C 36 25.190 29.349 -4.159 1
1 297 . 8 1 1 A 36 36 GLN C C 36 172.952 174.863 -1.911 1
1 298 . 8 1 1 A 36 36 GLN HA H 36 4.261 4.802 -0.541 1
1 305 . 8 1 1 A 37 37 LEU H H 37 9.110 8.788 0.322 1
1 306 . 8 1 1 A 37 37 LEU N N 37 127.600 123.650 3.950 1
1 307 . 8 1 1 A 37 37 LEU CA C 37 51.329 53.135 -1.806 1
1 308 . 8 1 1 A 37 37 LEU CB C 37 42.165 44.619 -2.454 1
1 309 . 8 1 1 A 37 37 LEU C C 37 172.877 175.060 -2.183 1
1 310 . 8 1 1 A 37 37 LEU HA H 37 5.315 5.185 0.130 1
1 319 . 8 1 1 A 38 38 GLN H H 38 9.556 9.192 0.364 1
1 320 . 8 1 1 A 38 38 GLN N N 38 120.583 123.216 -2.633 1
1 321 . 8 1 1 A 38 38 GLN CA C 38 51.810 55.065 -3.255 1
1 322 . 8 1 1 A 38 38 GLN CB C 38 29.259 29.834 -0.575 1
1 323 . 8 1 1 A 38 38 GLN C C 38 172.676 174.651 -1.975 1
1 324 . 8 1 1 A 38 38 GLN HA H 38 4.623 4.626 -0.003 1
1 328 . 8 1 1 A 39 39 LEU H H 39 8.926 9.244 -0.318 1
1 329 . 8 1 1 A 39 39 LEU N N 39 131.700 130.248 1.452 1
1 330 . 8 1 1 A 39 39 LEU CA C 39 53.062 53.825 -0.763 1
1 331 . 8 1 1 A 39 39 LEU C C 39 174.601 176.294 -1.693 1
1 332 . 8 1 1 A 39 39 LEU HA H 39 5.506 5.280 0.226 1
1 341 . 8 1 1 A 40 40 SER H H 40 8.569 8.613 -0.044 1
1 342 . 8 1 1 A 40 40 SER N N 40 115.900 119.190 -3.290 1
1 343 . 8 1 1 A 40 40 SER CA C 40 54.925 55.997 -1.072 1
1 344 . 8 1 1 A 40 40 SER CB C 40 46.694 65.892 -19.198 1
1 345 . 8 1 1 A 40 40 SER C C 40 170.046 173.354 -3.308 1
1 346 . 8 1 1 A 40 40 SER HA H 40 4.676 5.429 -0.753 1
1 349 . 8 1 1 A 41 41 ALA H H 41 8.357 8.596 -0.239 1
1 350 . 8 1 1 A 41 41 ALA N N 41 125.900 123.441 2.459 1
1 351 . 8 1 1 A 41 41 ALA CA C 41 49.309 50.651 -1.342 1
1 352 . 8 1 1 A 41 41 ALA CB C 41 27.376 20.051 7.325 1
1 353 . 8 1 1 A 41 41 ALA C C 41 175.352 177.018 -1.666 1
1 354 . 8 1 1 A 41 41 ALA HA H 41 5.016 4.798 0.218 1
1 358 . 8 1 1 A 42 42 GLU H H 42 8.485 8.583 -0.098 1
1 359 . 8 1 1 A 42 42 GLU N N 42 125.400 126.417 -1.017 1
1 360 . 8 1 1 A 42 42 GLU CA C 42 54.611 57.739 -3.128 1
1 361 . 8 1 1 A 42 42 GLU CB C 42 28.181 30.867 -2.686 1
1 362 . 8 1 1 A 42 42 GLU C C 42 174.014 176.001 -1.987 1
1 363 . 8 1 1 A 42 42 GLU HA H 42 4.444 4.432 0.012 1
1 368 . 8 1 1 A 43 43 SER H H 43 8.020 7.942 0.078 1
1 369 . 8 1 1 A 43 43 SER N N 43 113.900 114.733 -0.833 1
1 370 . 8 1 1 A 43 43 SER CA C 43 55.014 57.464 -2.450 1
1 371 . 8 1 1 A 43 43 SER CB C 43 61.687 65.601 -3.914 1
1 372 . 8 1 1 A 43 43 SER C C 43 171.119 174.445 -3.326 1
1 373 . 8 1 1 A 43 43 SER HA H 43 4.516 4.763 -0.247 1
1 376 . 8 1 1 A 44 44 VAL H H 44 8.113 8.200 -0.087 1
1 377 . 8 1 1 A 44 44 VAL N N 44 121.100 124.058 -2.958 1
1 378 . 8 1 1 A 44 44 VAL CA C 44 62.838 65.492 -2.654 1
1 379 . 8 1 1 A 44 44 VAL CB C 44 28.991 31.203 -2.212 1
1 380 . 8 1 1 A 44 44 VAL C C 44 175.533 177.068 -1.535 1
1 381 . 8 1 1 A 44 44 VAL HA H 44 3.868 3.537 0.331 1
1 389 . 8 1 1 A 45 45 GLY H H 45 8.807 8.908 -0.101 1
1 390 . 8 1 1 A 45 45 GLY N N 45 115.545 115.141 0.404 1
1 391 . 8 1 1 A 45 45 GLY CA C 45 43.553 45.018 -1.465 1
1 392 . 8 1 1 A 45 45 GLY C C 45 170.948 174.204 -3.256 1
1 393 . 8 1 1 A 45 45 GLY HA3 H 45 4.296 4.000 0.296 1
1 394 . 8 1 1 A 45 45 GLY HA2 H 45 3.995 3.996 -0.001 1
1 395 . 8 1 1 A 46 46 GLU H H 46 7.985 7.713 0.272 1
1 396 . 8 1 1 A 46 46 GLU N N 46 121.200 118.257 2.943 1
1 397 . 8 1 1 A 46 46 GLU CA C 46 52.751 55.461 -2.710 1
1 398 . 8 1 1 A 46 46 GLU CB C 46 29.432 31.583 -2.151 1
1 399 . 8 1 1 A 46 46 GLU C C 46 173.583 175.914 -2.331 1
1 400 . 8 1 1 A 46 46 GLU HA H 46 5.442 4.839 0.603 1
1 405 . 8 1 1 A 47 47 VAL H H 47 9.560 8.980 0.580 1
1 406 . 8 1 1 A 47 47 VAL N N 47 116.400 118.391 -1.991 1
1 407 . 8 1 1 A 47 47 VAL CA C 47 56.846 59.982 -3.136 1
1 408 . 8 1 1 A 47 47 VAL CB C 47 33.714 34.717 -1.003 1
1 409 . 8 1 1 A 47 47 VAL C C 47 172.960 173.767 -0.807 1
1 410 . 8 1 1 A 47 47 VAL HA H 47 5.505 5.151 0.354 1
1 418 . 8 1 1 A 48 48 TYR H H 48 8.415 9.214 -0.799 1
1 419 . 8 1 1 A 48 48 TYR N N 48 117.400 125.830 -8.430 1
1 420 . 8 1 1 A 48 48 TYR CA C 48 54.331 55.809 -1.478 1
1 421 . 8 1 1 A 48 48 TYR CB C 48 39.296 41.671 -2.375 1
1 422 . 8 1 1 A 48 48 TYR C C 48 173.423 173.884 -0.461 1
1 423 . 8 1 1 A 48 48 TYR HA H 48 5.290 5.402 -0.112 1
1 426 . 8 1 1 A 49 49 ILE H H 49 10.532 9.006 1.526 1
1 427 . 8 1 1 A 49 49 ILE N N 49 123.100 128.410 -5.310 1
1 428 . 8 1 1 A 49 49 ILE CA C 49 59.573 60.255 -0.682 1
1 429 . 8 1 1 A 49 49 ILE CB C 49 40.504 37.627 2.877 1
1 430 . 8 1 1 A 49 49 ILE C C 49 170.853 174.974 -4.121 1
1 431 . 8 1 1 A 49 49 ILE HA H 49 4.341 4.601 -0.260 1
1 438 . 8 1 1 A 50 50 LYS H H 50 8.511 8.485 0.026 1
1 439 . 8 1 1 A 50 50 LYS N N 50 125.800 124.334 1.466 1
1 440 . 8 1 1 A 50 50 LYS CA C 50 51.179 54.137 -2.958 1
1 441 . 8 1 1 A 50 50 LYS CB C 50 34.816 35.810 -0.994 1
1 442 . 8 1 1 A 50 50 LYS C C 50 173.759 174.986 -1.227 1
1 443 . 8 1 1 A 50 50 LYS HA H 50 4.991 4.696 0.295 1
1 451 . 8 1 1 A 51 51 SER H H 51 8.920 8.810 0.110 1
1 452 . 8 1 1 A 51 51 SER N N 51 117.579 117.691 -0.112 1
1 453 . 8 1 1 A 51 51 SER CA C 51 55.043 57.723 -2.680 1
1 454 . 8 1 1 A 51 51 SER CB C 51 61.065 63.630 -2.565 1
1 455 . 8 1 1 A 51 51 SER C C 51 175.084 175.097 -0.013 1
1 456 . 8 1 1 A 51 51 SER HA H 51 4.666 4.571 0.095 1
1 459 . 8 1 1 A 52 52 THR H H 52 8.342 8.261 0.081 1
1 460 . 8 1 1 A 52 52 THR N N 52 123.200 120.975 2.225 1
1 461 . 8 1 1 A 52 52 THR CA C 52 62.792 63.555 -0.763 1
1 462 . 8 1 1 A 52 52 THR CB C 52 65.611 68.923 -3.312 1
1 463 . 8 1 1 A 52 52 THR C C 52 173.566 176.252 -2.686 1
1 464 . 8 1 1 A 52 52 THR HA H 52 3.996 4.239 -0.243 1
1 469 . 8 1 1 A 53 53 GLU H H 53 8.312 8.221 0.091 1
1 470 . 8 1 1 A 53 53 GLU N N 53 122.000 121.504 0.496 1
1 471 . 8 1 1 A 53 53 GLU CA C 53 55.889 58.244 -2.355 1
1 472 . 8 1 1 A 53 53 GLU CB C 53 28.359 30.733 -2.374 1
1 473 . 8 1 1 A 53 53 GLU C C 53 175.327 178.077 -2.750 1
1 474 . 8 1 1 A 53 53 GLU HA H 53 4.311 4.381 -0.070 1
1 477 . 8 1 1 A 54 54 THR H H 54 7.724 7.655 0.069 1
1 478 . 8 1 1 A 54 54 THR N N 54 103.100 108.332 -5.232 1
1 479 . 8 1 1 A 54 54 THR CA C 54 58.555 61.191 -2.636 1
1 480 . 8 1 1 A 54 54 THR CB C 54 69.030 69.010 0.020 1
1 481 . 8 1 1 A 54 54 THR C C 54 173.942 175.583 -1.641 1
1 482 . 8 1 1 A 54 54 THR HA H 54 4.681 4.649 0.032 1
1 487 . 8 1 1 A 55 55 GLY H H 55 7.643 8.317 -0.674 1
1 488 . 8 1 1 A 55 55 GLY N N 55 110.700 111.196 -0.496 1
1 489 . 8 1 1 A 55 55 GLY CA C 55 43.594 45.788 -2.194 1
1 490 . 8 1 1 A 55 55 GLY HA3 H 55 4.150 3.967 0.183 1
1 491 . 8 1 1 A 55 55 GLY HA2 H 55 3.591 3.952 -0.361 1
1 492 . 8 1 1 A 55 55 GLY C C 55 170.694 174.215 -3.521 1
1 493 . 8 1 1 A 56 56 GLN H H 56 7.211 7.505 -0.294 1
1 494 . 8 1 1 A 56 56 GLN N N 56 115.700 116.660 -0.960 1
1 495 . 8 1 1 A 56 56 GLN CA C 56 53.898 55.584 -1.686 1
1 496 . 8 1 1 A 56 56 GLN CB C 56 30.456 32.208 -1.752 1
1 497 . 8 1 1 A 56 56 GLN C C 56 172.141 172.967 -0.826 1
1 498 . 8 1 1 A 56 56 GLN HA H 56 4.311 4.653 -0.342 1
1 504 . 8 1 1 A 57 57 TYR H H 57 9.254 8.953 0.301 1
1 505 . 8 1 1 A 57 57 TYR N N 57 119.400 127.157 -7.757 1
1 506 . 8 1 1 A 57 57 TYR CA C 57 53.356 55.916 -2.560 1
1 507 . 8 1 1 A 57 57 TYR CB C 57 40.466 37.846 2.620 1
1 508 . 8 1 1 A 57 57 TYR C C 57 173.320 174.153 -0.833 1
1 509 . 8 1 1 A 57 57 TYR HA H 57 4.128 6.087 -1.959 1
1 512 . 8 1 1 A 58 58 LEU H H 58 9.126 8.267 0.859 1
1 513 . 8 1 1 A 58 58 LEU N N 58 123.600 126.367 -2.767 1
1 514 . 8 1 1 A 58 58 LEU CA C 58 53.256 54.634 -1.378 1
1 515 . 8 1 1 A 58 58 LEU CB C 58 40.466 40.654 -0.188 1
1 516 . 8 1 1 A 58 58 LEU C C 58 172.320 175.320 -3.000 1
1 517 . 8 1 1 A 58 58 LEU HA H 58 4.128 4.416 -0.288 1
1 524 . 8 1 1 A 59 59 ALA H H 59 8.656 8.135 0.521 1
1 525 . 8 1 1 A 59 59 ALA N N 59 126.947 128.376 -1.429 1
1 526 . 8 1 1 A 59 59 ALA CA C 59 48.450 50.136 -1.686 1
1 527 . 8 1 1 A 59 59 ALA CB C 59 21.261 19.097 2.164 1
1 528 . 8 1 1 A 59 59 ALA C C 59 172.722 175.726 -3.004 1
1 529 . 8 1 1 A 59 59 ALA HA H 59 5.124 4.562 0.562 1
1 533 . 8 1 1 A 60 60 MET H H 60 7.521 8.993 -1.472 1
1 534 . 8 1 1 A 60 60 MET N N 60 116.602 125.573 -8.971 1
1 535 . 8 1 1 A 60 60 MET CA C 60 52.251 54.867 -2.616 1
1 536 . 8 1 1 A 60 60 MET CB C 60 35.046 33.983 1.063 1
1 537 . 8 1 1 A 60 60 MET C C 60 173.753 174.578 -0.825 1
1 538 . 8 1 1 A 60 60 MET HA H 60 5.527 4.857 0.670 1
1 543 . 8 1 1 A 61 61 ASP H H 61 9.159 9.066 0.093 1
1 544 . 8 1 1 A 61 61 ASP N N 61 128.445 127.468 0.977 1
1 545 . 8 1 1 A 61 61 ASP CA C 61 51.480 53.179 -1.699 1
1 546 . 8 1 1 A 61 61 ASP CB C 61 39.346 42.988 -3.642 1
1 547 . 8 1 1 A 61 61 ASP C C 61 175.800 175.819 -0.019 1
1 548 . 8 1 1 A 61 61 ASP HA H 61 5.046 5.193 -0.147 1
1 551 . 8 1 1 A 62 62 THR H H 62 7.972 9.645 -1.673 1
1 552 . 8 1 1 A 62 62 THR N N 62 107.806 119.756 -11.950 1
1 553 . 8 1 1 A 62 62 THR CA C 62 62.626 65.340 -2.714 1
1 554 . 8 1 1 A 62 62 THR CB C 62 66.955 67.202 -0.247 1
1 555 . 8 1 1 A 62 62 THR C C 62 172.355 174.380 -2.025 1
1 556 . 8 1 1 A 62 62 THR HA H 62 4.134 4.189 -0.055 1
1 561 . 8 1 1 A 63 63 ASP H H 63 8.333 9.425 -1.092 1
1 562 . 8 1 1 A 63 63 ASP N N 63 119.831 120.382 -0.551 1
1 563 . 8 1 1 A 63 63 ASP CA C 63 51.865 55.902 -4.037 1
1 564 . 8 1 1 A 63 63 ASP CB C 63 39.182 40.877 -1.695 1
1 565 . 8 1 1 A 63 63 ASP C C 63 174.438 177.529 -3.091 1
1 566 . 8 1 1 A 63 63 ASP HA H 63 4.964 4.824 0.140 1
1 569 . 8 1 1 A 64 64 GLY H H 64 8.264 8.014 0.250 1
1 570 . 8 1 1 A 64 64 GLY N N 64 109.142 108.583 0.559 1
1 571 . 8 1 1 A 64 64 GLY CA C 64 42.923 46.784 -3.861 1
1 572 . 8 1 1 A 64 64 GLY C C 64 171.248 174.758 -3.510 1
1 573 . 8 1 1 A 64 64 GLY HA3 H 64 3.652 3.685 -0.033 1
1 574 . 8 1 1 A 64 64 GLY HA2 H 64 3.397 3.627 -0.230 1
1 575 . 8 1 1 A 65 65 LEU H H 65 8.636 7.787 0.849 1
1 576 . 8 1 1 A 65 65 LEU N N 65 123.137 115.771 7.366 1
1 577 . 8 1 1 A 65 65 LEU CA C 65 52.224 52.456 -0.232 1
1 578 . 8 1 1 A 65 65 LEU CB C 65 40.557 45.309 -4.752 1
1 579 . 8 1 1 A 65 65 LEU C C 65 174.507 175.662 -1.155 1
1 580 . 8 1 1 A 65 65 LEU HA H 65 4.529 4.995 -0.466 1
1 590 . 8 1 1 A 66 66 LEU H H 66 7.431 8.929 -1.498 1
1 591 . 8 1 1 A 66 66 LEU N N 66 124.493 115.027 9.466 1
1 592 . 8 1 1 A 66 66 LEU CA C 66 51.635 53.382 -1.747 1
1 593 . 8 1 1 A 66 66 LEU CB C 66 40.474 45.612 -5.138 1
1 594 . 8 1 1 A 66 66 LEU C C 66 174.070 175.301 -1.231 1
1 595 . 8 1 1 A 66 66 LEU HA H 66 5.714 5.324 0.390 1
1 605 . 8 1 1 A 67 67 TYR H H 67 9.237 8.514 0.723 1
1 606 . 8 1 1 A 67 67 TYR N N 67 120.360 117.387 2.973 1
1 607 . 8 1 1 A 67 67 TYR CA C 67 54.076 55.088 -1.012 1
1 608 . 8 1 1 A 67 67 TYR CB C 67 38.903 42.300 -3.397 1
1 609 . 8 1 1 A 67 67 TYR C C 67 169.640 174.008 -4.368 1
1 610 . 8 1 1 A 67 67 TYR HA H 67 5.023 5.902 -0.879 1
1 612 . 8 1 1 A 68 68 GLY H H 68 8.928 8.453 0.475 1
1 613 . 8 1 1 A 68 68 GLY N N 68 105.646 106.359 -0.713 1
1 614 . 8 1 1 A 68 68 GLY CA C 68 41.569 45.870 -4.301 1
1 615 . 8 1 1 A 68 68 GLY C C 68 170.551 173.032 -2.481 1
1 616 . 8 1 1 A 68 68 GLY HA2 H 68 4.676 4.191 0.485 1
1 617 . 8 1 1 A 69 69 SER H H 69 9.608 9.180 0.428 1
1 618 . 8 1 1 A 69 69 SER N N 69 120.100 116.772 3.328 1
1 619 . 8 1 1 A 69 69 SER CA C 69 53.737 59.436 -5.699 1
1 620 . 8 1 1 A 69 69 SER CB C 69 63.042 65.336 -2.294 1
1 621 . 8 1 1 A 69 69 SER C C 69 174.219 175.557 -1.338 1
1 622 . 8 1 1 A 69 69 SER HA H 69 4.966 4.813 0.153 1
1 625 . 8 1 1 A 70 70 GLN H H 70 9.343 8.214 1.129 1
1 626 . 8 1 1 A 70 70 GLN N N 70 127.339 117.973 9.366 1
1 627 . 8 1 1 A 70 70 GLN CA C 70 56.139 57.684 -1.545 1
1 628 . 8 1 1 A 70 70 GLN CB C 70 27.092 28.200 -1.108 1
1 629 . 8 1 1 A 70 70 GLN C C 70 173.241 175.016 -1.775 1
1 630 . 8 1 1 A 70 70 GLN HA H 70 4.286 4.203 0.083 1
1 638 . 8 1 1 A 71 71 THR H H 71 7.532 7.588 -0.056 1
1 639 . 8 1 1 A 71 71 THR N N 71 108.100 113.335 -5.235 1
1 640 . 8 1 1 A 71 71 THR CA C 71 55.203 59.574 -4.371 1
1 641 . 8 1 1 A 71 71 THR HA H 71 4.780 4.820 -0.040 1
1 643 . 8 1 1 A 72 72 PRO CA C 72 60.050 62.184 -2.134 1
1 644 . 8 1 1 A 72 72 PRO CB C 72 26.678 31.761 -5.083 1
1 645 . 8 1 1 A 72 72 PRO C C 72 172.920 176.534 -3.614 1
1 646 . 8 1 1 A 72 72 PRO HA H 72 4.173 5.023 -0.850 1
1 649 . 8 1 1 A 73 73 ASN H H 73 7.321 9.077 -1.756 1
1 650 . 8 1 1 A 73 73 ASN N N 73 119.200 121.074 -1.874 1
1 651 . 8 1 1 A 73 73 ASN CA C 73 49.994 52.436 -2.442 1
1 652 . 8 1 1 A 74 74 GLU H H 74 9.030 8.782 0.248 1
1 653 . 8 1 1 A 74 74 GLU CA C 74 57.131 55.175 1.956 1
1 654 . 8 1 1 A 74 74 GLU CB C 74 27.005 29.881 -2.876 1
1 655 . 8 1 1 A 74 74 GLU C C 74 176.352 176.002 0.350 1
1 656 . 8 1 1 A 74 74 GLU HA H 74 4.130 4.828 -0.698 1
1 661 . 8 1 1 A 75 75 GLU H H 75 8.574 8.733 -0.159 1
1 662 . 8 1 1 A 75 75 GLU N N 75 119.200 124.190 -4.990 1
1 663 . 8 1 1 A 75 75 GLU CA C 75 56.343 56.662 -0.319 1
1 664 . 8 1 1 A 75 75 GLU CB C 75 26.028 31.774 -5.746 1
1 665 . 8 1 1 A 75 75 GLU C C 75 173.866 177.273 -3.407 1
1 666 . 8 1 1 A 75 75 GLU HA H 75 4.206 4.513 -0.307 1
1 671 . 8 1 1 A 76 76 CYS H H 76 7.727 8.076 -0.349 1
1 672 . 8 1 1 A 76 76 CYS N N 76 113.800 117.975 -4.175 1
1 673 . 8 1 1 A 76 76 CYS CA C 76 55.635 61.552 -5.917 1
1 674 . 8 1 1 A 76 76 CYS CB C 76 26.036 27.199 -1.163 1
1 675 . 8 1 1 A 76 76 CYS C C 76 170.849 175.035 -4.186 1
1 676 . 8 1 1 A 76 76 CYS HA H 76 5.426 4.325 1.101 1
1 679 . 8 1 1 A 77 77 LEU H H 77 6.241 7.255 -1.014 1
1 680 . 8 1 1 A 77 77 LEU N N 77 118.069 123.835 -5.766 1
1 681 . 8 1 1 A 77 77 LEU CA C 77 51.793 55.092 -3.299 1
1 682 . 8 1 1 A 77 77 LEU CB C 77 42.123 41.977 0.146 1
1 683 . 8 1 1 A 77 77 LEU C C 77 173.882 176.426 -2.544 1
1 684 . 8 1 1 A 77 77 LEU HA H 77 4.555 4.086 0.469 1
1 694 . 8 1 1 A 78 78 PHE H H 78 9.067 8.597 0.470 1
1 695 . 8 1 1 A 78 78 PHE N N 78 122.377 123.112 -0.735 1
1 696 . 8 1 1 A 78 78 PHE CA C 78 54.917 56.582 -1.665 1
1 697 . 8 1 1 A 78 78 PHE CB C 78 40.597 44.187 -3.590 1
1 698 . 8 1 1 A 78 78 PHE C C 78 171.853 174.677 -2.824 1
1 699 . 8 1 1 A 78 78 PHE HA H 78 5.169 5.166 0.003 1
1 702 . 8 1 1 A 79 79 LEU H H 79 9.958 8.945 1.013 1
1 703 . 8 1 1 A 79 79 LEU N N 79 122.126 123.159 -1.033 1
1 704 . 8 1 1 A 79 79 LEU CA C 79 51.232 54.739 -3.507 1
1 705 . 8 1 1 A 79 79 LEU CB C 79 38.511 43.938 -5.427 1
1 706 . 8 1 1 A 79 79 LEU C C 79 173.055 175.763 -2.708 1
1 707 . 8 1 1 A 79 79 LEU HA H 79 4.686 4.863 -0.177 1
1 713 . 8 1 1 A 80 80 GLU H H 80 8.347 8.831 -0.484 1
1 714 . 8 1 1 A 80 80 GLU N N 80 126.300 127.517 -1.217 1
1 715 . 8 1 1 A 80 80 GLU CA C 80 52.558 55.026 -2.468 1
1 716 . 8 1 1 A 80 80 GLU CB C 80 30.892 31.372 -0.480 1
1 717 . 8 1 1 A 80 80 GLU C C 80 173.355 175.065 -1.710 1
1 718 . 8 1 1 A 80 80 GLU HA H 80 4.832 4.657 0.175 1
1 721 . 8 1 1 A 81 81 ARG H H 81 8.840 8.729 0.111 1
1 722 . 8 1 1 A 81 81 ARG N N 81 129.522 128.742 0.780 1
1 723 . 8 1 1 A 81 81 ARG CA C 81 52.288 54.372 -2.084 1
1 724 . 8 1 1 A 81 81 ARG CB C 81 38.588 33.307 5.281 1
1 725 . 8 1 1 A 81 81 ARG C C 81 172.258 174.460 -2.202 1
1 726 . 8 1 1 A 81 81 ARG HA H 81 4.659 5.009 -0.350 1
1 732 . 8 1 1 A 82 82 LEU H H 82 8.347 8.943 -0.596 1
1 733 . 8 1 1 A 82 82 LEU N N 82 125.700 128.390 -2.690 1
1 734 . 8 1 1 A 82 82 LEU CA C 82 52.631 53.703 -1.072 1
1 735 . 8 1 1 A 82 82 LEU CB C 82 40.304 42.922 -2.618 1
1 736 . 8 1 1 A 82 82 LEU C C 82 174.567 176.069 -1.502 1
1 737 . 8 1 1 A 82 82 LEU HA H 82 4.875 4.898 -0.023 1
1 744 . 8 1 1 A 83 83 GLU H H 83 9.064 8.715 0.349 1
1 745 . 8 1 1 A 83 83 GLU N N 83 125.600 125.202 0.398 1
1 746 . 8 1 1 A 83 83 GLU CA C 83 51.723 56.122 -4.399 1
1 747 . 8 1 1 A 83 83 GLU CB C 83 43.703 31.204 12.499 1
1 748 . 8 1 1 A 83 83 GLU C C 83 174.885 176.964 -2.079 1
1 749 . 8 1 1 A 83 83 GLU HA H 83 4.974 4.556 0.418 1
1 752 . 8 1 1 A 84 84 GLU H H 84 8.806 8.949 -0.143 1
1 753 . 8 1 1 A 84 84 GLU N N 84 120.300 122.800 -2.500 1
1 754 . 8 1 1 A 84 84 GLU CA C 84 55.553 57.441 -1.888 1
1 755 . 8 1 1 A 84 84 GLU CB C 84 27.117 30.264 -3.147 1
1 756 . 8 1 1 A 84 84 GLU C C 84 174.261 176.772 -2.511 1
1 757 . 8 1 1 A 84 84 GLU HA H 84 4.112 4.236 -0.124 1
1 761 . 8 1 1 A 85 85 ASN H H 85 8.429 8.049 0.380 1
1 762 . 8 1 1 A 85 85 ASN N N 85 114.800 117.030 -2.230 1
1 763 . 8 1 1 A 85 85 ASN CA C 85 51.788 52.122 -0.334 1
1 764 . 8 1 1 A 85 85 ASN CB C 85 35.301 38.498 -3.197 1
1 765 . 8 1 1 A 85 85 ASN C C 85 172.203 174.874 -2.671 1
1 766 . 8 1 1 A 85 85 ASN HA H 85 4.343 4.880 -0.537 1
1 769 . 8 1 1 A 86 86 HIS H H 86 8.081 7.703 0.378 1
1 770 . 8 1 1 A 86 86 HIS N N 86 108.737 113.839 -5.102 1
1 771 . 8 1 1 A 86 86 HIS CA C 86 55.255 56.539 -1.284 1
1 772 . 8 1 1 A 86 86 HIS CB C 86 24.858 26.741 -1.883 1
1 773 . 8 1 1 A 86 86 HIS C C 86 171.039 173.432 -2.393 1
1 774 . 8 1 1 A 86 86 HIS HA H 86 4.260 4.098 0.162 1
1 777 . 8 1 1 A 87 87 TYR H H 87 7.592 7.871 -0.279 1
1 778 . 8 1 1 A 87 87 TYR N N 87 117.738 117.180 0.558 1
1 779 . 8 1 1 A 87 87 TYR CA C 87 56.163 56.388 -0.225 1
1 780 . 8 1 1 A 87 87 TYR CB C 87 38.643 43.154 -4.511 1
1 781 . 8 1 1 A 87 87 TYR C C 87 171.983 174.646 -2.663 1
1 782 . 8 1 1 A 87 87 TYR HA H 87 4.836 5.195 -0.359 1
1 784 . 8 1 1 A 88 88 ASN H H 88 9.840 9.475 0.365 1
1 785 . 8 1 1 A 88 88 ASN N N 88 118.891 120.065 -1.174 1
1 786 . 8 1 1 A 88 88 ASN CA C 88 50.063 52.411 -2.348 1
1 787 . 8 1 1 A 88 88 ASN CB C 88 40.242 40.690 -0.448 1
1 788 . 8 1 1 A 88 88 ASN C C 88 172.471 174.213 -1.742 1
1 789 . 8 1 1 A 88 88 ASN HA H 88 5.837 5.507 0.330 1
1 795 . 8 1 1 A 89 89 THR H H 89 8.380 8.724 -0.344 1
1 796 . 8 1 1 A 89 89 THR N N 89 108.521 116.865 -8.344 1
1 797 . 8 1 1 A 89 89 THR CA C 89 57.357 60.571 -3.214 1
1 798 . 8 1 1 A 89 89 THR CB C 89 70.868 72.146 -1.278 1
1 799 . 8 1 1 A 89 89 THR C C 89 170.548 172.702 -2.154 1
1 800 . 8 1 1 A 89 89 THR HA H 89 5.127 5.279 -0.152 1
1 805 . 8 1 1 A 90 90 TYR H H 90 10.247 9.062 1.185 1
1 806 . 8 1 1 A 90 90 TYR N N 90 119.000 122.343 -3.343 1
1 807 . 8 1 1 A 90 90 TYR CA C 90 55.106 56.293 -1.187 1
1 808 . 8 1 1 A 90 90 TYR CB C 90 39.047 42.433 -3.386 1
1 809 . 8 1 1 A 90 90 TYR C C 90 172.442 174.617 -2.175 1
1 810 . 8 1 1 A 90 90 TYR HA H 90 5.472 5.433 0.039 1
1 812 . 8 1 1 A 91 91 ILE H H 91 8.781 9.342 -0.561 1
1 813 . 8 1 1 A 91 91 ILE N N 91 122.546 123.841 -1.295 1
1 814 . 8 1 1 A 91 91 ILE CA C 91 56.346 59.485 -3.139 1
1 815 . 8 1 1 A 91 91 ILE CB C 91 36.627 40.630 -4.003 1
1 816 . 8 1 1 A 91 91 ILE C C 91 172.924 174.789 -1.865 1
1 817 . 8 1 1 A 91 91 ILE HA H 91 4.673 4.899 -0.226 1
1 826 . 8 1 1 A 92 92 SER H H 92 8.191 8.585 -0.394 1
1 827 . 8 1 1 A 92 92 SER N N 92 120.200 119.867 0.333 1
1 828 . 8 1 1 A 92 92 SER CA C 92 55.781 57.728 -1.947 1
1 829 . 8 1 1 A 92 92 SER CB C 92 62.382 63.076 -0.694 1
1 830 . 8 1 1 A 92 92 SER C C 92 172.863 174.701 -1.838 1
1 831 . 8 1 1 A 92 92 SER HA H 92 4.016 5.238 -1.222 1
1 833 . 8 1 1 A 93 93 LYS H H 93 7.993 9.044 -1.051 1
1 834 . 8 1 1 A 93 93 LYS N N 93 130.618 126.695 3.923 1
1 835 . 8 1 1 A 93 93 LYS CA C 93 57.942 58.149 -0.207 1
1 836 . 8 1 1 A 93 93 LYS CB C 93 30.889 32.213 -1.324 1
1 837 . 8 1 1 A 93 93 LYS C C 93 176.938 177.990 -1.052 1
1 838 . 8 1 1 A 93 93 LYS HA H 93 3.779 4.358 -0.579 1
1 844 . 8 1 1 A 94 94 LYS H H 94 8.616 7.492 1.124 1
1 845 . 8 1 1 A 94 94 LYS N N 94 120.044 120.593 -0.549 1
1 846 . 8 1 1 A 94 94 LYS CA C 94 55.868 58.840 -2.972 1
1 847 . 8 1 1 A 94 94 LYS CB C 94 30.329 32.615 -2.286 1
1 848 . 8 1 1 A 94 94 LYS C C 94 174.491 177.446 -2.955 1
1 849 . 8 1 1 A 94 94 LYS HA H 94 3.851 4.018 -0.167 1
1 856 . 8 1 1 A 95 95 HIS H H 95 7.249 8.017 -0.768 1
1 857 . 8 1 1 A 95 95 HIS N N 95 114.486 116.052 -1.566 1
1 858 . 8 1 1 A 95 95 HIS CA C 95 51.180 54.158 -2.978 1
1 859 . 8 1 1 A 95 95 HIS CB C 95 26.844 27.784 -0.940 1
1 860 . 8 1 1 A 95 95 HIS C C 95 173.734 175.719 -1.985 1
1 861 . 8 1 1 A 95 95 HIS HA H 95 4.604 4.840 -0.236 1
1 864 . 8 1 1 A 96 96 ALA H H 96 7.104 7.742 -0.638 1
1 865 . 8 1 1 A 96 96 ALA N N 96 125.204 124.163 1.041 1
1 866 . 8 1 1 A 96 96 ALA CA C 96 53.758 55.264 -1.506 1
1 867 . 8 1 1 A 96 96 ALA CB C 96 16.578 18.528 -1.950 1
1 868 . 8 1 1 A 96 96 ALA C C 96 178.508 179.608 -1.100 1
1 869 . 8 1 1 A 96 96 ALA HA H 96 4.131 4.248 -0.117 1
1 873 . 8 1 1 A 97 97 GLU H H 97 8.857 8.541 0.316 1
1 874 . 8 1 1 A 97 97 GLU N N 97 118.007 115.580 2.427 1
1 875 . 8 1 1 A 97 97 GLU CA C 97 56.153 58.864 -2.711 1
1 876 . 8 1 1 A 97 97 GLU CB C 97 26.241 28.595 -2.354 1
1 877 . 8 1 1 A 97 97 GLU C C 97 174.813 177.418 -2.605 1
1 878 . 8 1 1 A 97 97 GLU HA H 97 4.063 4.040 0.023 1
1 882 . 8 1 1 A 98 98 LYS H H 98 7.116 7.886 -0.770 1
1 883 . 8 1 1 A 98 98 LYS N N 98 116.241 118.881 -2.640 1
1 884 . 8 1 1 A 98 98 LYS CA C 98 52.852 55.921 -3.069 1
1 885 . 8 1 1 A 98 98 LYS CB C 98 29.959 32.246 -2.287 1
1 886 . 8 1 1 A 98 98 LYS C C 98 173.361 175.753 -2.392 1
1 887 . 8 1 1 A 98 98 LYS HA H 98 4.280 4.189 0.091 1
1 893 . 8 1 1 A 99 99 ASN H H 99 7.842 7.792 0.050 1
1 894 . 8 1 1 A 99 99 ASN N N 99 113.000 114.806 -1.806 1
1 895 . 8 1 1 A 99 99 ASN CA C 99 52.240 54.526 -2.286 1
1 896 . 8 1 1 A 99 99 ASN CB C 99 35.289 37.058 -1.769 1
1 897 . 8 1 1 A 99 99 ASN C C 99 170.506 174.451 -3.945 1
1 898 . 8 1 1 A 99 99 ASN HA H 99 3.772 4.280 -0.508 1
1 904 . 8 1 1 A 100 100 TRP H H 100 6.369 7.541 -1.172 1
1 905 . 8 1 1 A 100 100 TRP N N 100 116.000 119.641 -3.641 1
1 906 . 8 1 1 A 100 100 TRP CA C 100 53.179 57.853 -4.674 1
1 907 . 8 1 1 A 100 100 TRP CB C 100 28.228 30.445 -2.217 1
1 908 . 8 1 1 A 100 100 TRP C C 100 171.701 176.093 -4.392 1
1 909 . 8 1 1 A 100 100 TRP HA H 100 4.816 4.722 0.094 1
1 912 . 8 1 1 A 101 101 PHE H H 101 8.026 9.273 -1.247 1
1 913 . 8 1 1 A 101 101 PHE N N 101 124.185 121.519 2.666 1
1 914 . 8 1 1 A 101 101 PHE CA C 101 55.472 57.324 -1.852 1
1 915 . 8 1 1 A 101 101 PHE CB C 101 39.220 40.610 -1.390 1
1 916 . 8 1 1 A 101 101 PHE C C 101 175.044 175.162 -0.118 1
1 917 . 8 1 1 A 101 101 PHE HA H 101 5.373 5.308 0.065 1
1 920 . 8 1 1 A 102 102 VAL H H 102 8.499 9.009 -0.510 1
1 921 . 8 1 1 A 102 102 VAL N N 102 120.282 119.458 0.824 1
1 922 . 8 1 1 A 102 102 VAL CA C 102 60.975 60.578 0.397 1
1 923 . 8 1 1 A 102 102 VAL CB C 102 30.243 33.552 -3.309 1
1 924 . 8 1 1 A 102 102 VAL C C 102 174.220 174.984 -0.764 1
1 925 . 8 1 1 A 102 102 VAL HA H 102 3.939 4.930 -0.991 1
1 930 . 8 1 1 A 103 103 GLY H H 103 8.996 8.790 0.206 1
1 931 . 8 1 1 A 103 103 GLY N N 103 114.668 112.564 2.104 1
1 932 . 8 1 1 A 103 103 GLY CA C 103 43.802 44.126 -0.324 1
1 933 . 8 1 1 A 103 103 GLY C C 103 169.388 172.608 -3.220 1
1 934 . 8 1 1 A 103 103 GLY HA2 H 103 5.275 4.526 0.749 1
1 935 . 8 1 1 A 103 103 GLY HA3 H 103 3.180 4.544 -1.364 1
1 936 . 8 1 1 A 104 104 LEU H H 104 8.118 8.043 0.075 1
1 937 . 8 1 1 A 104 104 LEU N N 104 119.100 119.459 -0.359 1
1 938 . 8 1 1 A 104 104 LEU CA C 104 51.207 52.468 -1.261 1
1 939 . 8 1 1 A 104 104 LEU CB C 104 43.579 44.688 -1.109 1
1 940 . 8 1 1 A 104 104 LEU C C 104 174.252 174.541 -0.289 1
1 941 . 8 1 1 A 104 104 LEU HA H 104 4.959 5.020 -0.061 1
1 950 . 8 1 1 A 105 105 LYS H H 105 8.847 8.265 0.582 1
1 951 . 8 1 1 A 105 105 LYS N N 105 118.900 122.286 -3.386 1
1 952 . 8 1 1 A 105 105 LYS CA C 105 54.035 55.441 -1.406 1
1 953 . 8 1 1 A 105 105 LYS C C 105 176.404 176.677 -0.273 1
1 954 . 8 1 1 A 105 105 LYS HA H 105 4.215 4.392 -0.177 1
1 960 . 8 1 1 A 106 106 LYS H H 106 8.980 8.618 0.362 1
1 961 . 8 1 1 A 106 106 LYS N N 106 122.172 124.518 -2.346 1
1 962 . 8 1 1 A 106 106 LYS CA C 106 57.672 58.988 -1.316 1
1 963 . 8 1 1 A 106 106 LYS CB C 106 29.780 31.867 -2.087 1
1 964 . 8 1 1 A 106 106 LYS C C 106 174.499 178.867 -4.368 1
1 965 . 8 1 1 A 106 106 LYS HA H 106 3.624 3.968 -0.344 1
1 970 . 8 1 1 A 107 107 ASN H H 107 7.352 7.767 -0.415 1
1 971 . 8 1 1 A 107 107 ASN N N 107 112.743 118.530 -5.787 1
1 972 . 8 1 1 A 107 107 ASN CA C 107 49.523 54.938 -5.415 1
1 973 . 8 1 1 A 107 107 ASN CB C 107 35.121 38.178 -3.057 1
1 974 . 8 1 1 A 107 107 ASN C C 107 174.511 177.061 -2.550 1
1 975 . 8 1 1 A 107 107 ASN HA H 107 4.678 4.772 -0.094 1
1 978 . 8 1 1 A 108 108 GLY H H 108 7.656 7.788 -0.132 1
1 979 . 8 1 1 A 108 108 GLY N N 108 109.900 107.830 2.070 1
1 980 . 8 1 1 A 108 108 GLY CA C 108 42.207 45.836 -3.629 1
1 981 . 8 1 1 A 108 108 GLY C C 108 169.305 173.957 -4.652 1
1 982 . 8 1 1 A 108 108 GLY HA3 H 108 3.358 4.130 -0.772 1
1 983 . 8 1 1 A 108 108 GLY HA2 H 108 2.111 4.068 -1.957 1
1 984 . 8 1 1 A 109 109 SER H H 109 7.280 7.856 -0.576 1
1 985 . 8 1 1 A 109 109 SER N N 109 112.357 110.615 1.742 1
1 986 . 8 1 1 A 109 109 SER CA C 109 55.139 57.616 -2.477 1
1 987 . 8 1 1 A 109 109 SER CB C 109 62.749 65.605 -2.856 1
1 988 . 8 1 1 A 109 109 SER C C 109 171.244 172.521 -1.277 1
1 989 . 8 1 1 A 109 109 SER HA H 109 4.755 4.836 -0.081 1
1 992 . 8 1 1 A 110 110 CYS H H 110 9.070 8.423 0.647 1
1 993 . 8 1 1 A 110 110 CYS N N 110 119.883 120.734 -0.851 1
1 994 . 8 1 1 A 110 110 CYS CA C 110 57.858 58.194 -0.336 1
1 995 . 8 1 1 A 110 110 CYS CB C 110 37.322 28.189 9.133 1
1 996 . 8 1 1 A 110 110 CYS C C 110 172.131 174.046 -1.915 1
1 997 . 8 1 1 A 110 110 CYS HA H 110 4.296 4.799 -0.503 1
1 1000 . 8 1 1 A 111 111 LYS H H 111 8.095 8.813 -0.718 1
1 1001 . 8 1 1 A 111 111 LYS N N 111 128.642 125.836 2.806 1
1 1002 . 8 1 1 A 111 111 LYS CA C 111 52.117 54.657 -2.540 1
1 1003 . 8 1 1 A 111 111 LYS CB C 111 30.980 34.326 -3.346 1
1 1004 . 8 1 1 A 111 111 LYS C C 111 172.265 175.362 -3.097 1
1 1005 . 8 1 1 A 111 111 LYS HA H 111 4.380 4.933 -0.553 1
1 1010 . 8 1 1 A 112 112 ARG H H 112 8.566 8.622 -0.056 1
1 1011 . 8 1 1 A 112 112 ARG N N 112 124.700 124.093 0.607 1
1 1012 . 8 1 1 A 112 112 ARG CA C 112 54.295 53.992 0.303 1
1 1013 . 8 1 1 A 112 112 ARG CB C 112 28.927 32.913 -3.986 1
1 1014 . 8 1 1 A 112 112 ARG C C 112 175.240 177.628 -2.388 1
1 1015 . 8 1 1 A 112 112 ARG HA H 112 4.252 4.610 -0.358 1
1 1021 . 8 1 1 A 113 113 GLY H H 113 9.408 9.636 -0.228 1
1 1022 . 8 1 1 A 113 113 GLY N N 113 106.636 110.208 -3.572 1
1 1023 . 8 1 1 A 113 113 GLY CA C 113 44.552 47.088 -2.536 1
1 1024 . 8 1 1 A 113 113 GLY C C 113 169.610 175.193 -5.583 1
1 1025 . 8 1 1 A 113 113 GLY HA2 H 113 1.510 3.613 -2.103 1
1 1026 . 8 1 1 A 114 114 PRO CA C 114 62.529 64.937 -2.408 1
1 1027 . 8 1 1 A 114 114 PRO C C 114 174.543 177.358 -2.815 1
1 1028 . 8 1 1 A 114 114 PRO HA H 114 4.321 4.135 0.186 1
1 1033 . 8 1 1 A 115 115 ARG H H 115 8.067 8.156 -0.089 1
1 1034 . 8 1 1 A 115 115 ARG N N 115 114.500 115.280 -0.780 1
1 1035 . 8 1 1 A 115 115 ARG CA C 115 52.011 55.483 -3.472 1
1 1036 . 8 1 1 A 115 115 ARG CB C 115 27.143 32.487 -5.344 1
1 1037 . 8 1 1 A 115 115 ARG C C 115 174.680 175.670 -0.990 1
1 1038 . 8 1 1 A 115 115 ARG HA H 115 4.508 4.551 -0.043 1
1 1043 . 8 1 1 A 116 116 THR H H 116 7.643 7.637 0.006 1
1 1044 . 8 1 1 A 116 116 THR N N 116 111.716 110.786 0.930 1
1 1045 . 8 1 1 A 116 116 THR CA C 116 58.712 59.950 -1.238 1
1 1046 . 8 1 1 A 116 116 THR CB C 116 70.086 71.279 -1.193 1
1 1047 . 8 1 1 A 116 116 THR C C 116 172.573 173.210 -0.637 1
1 1048 . 8 1 1 A 116 116 THR HA H 116 5.198 4.946 0.252 1
1 1053 . 8 1 1 A 117 117 HIS H H 117 7.091 8.553 -1.462 1
1 1054 . 8 1 1 A 117 117 HIS N N 117 112.914 118.445 -5.531 1
1 1055 . 8 1 1 A 117 117 HIS CA C 117 53.291 55.923 -2.632 1
1 1056 . 8 1 1 A 117 117 HIS CB C 117 29.133 31.233 -2.100 1
1 1057 . 8 1 1 A 117 117 HIS C C 117 170.344 172.343 -1.999 1
1 1058 . 8 1 1 A 117 117 HIS HA H 117 4.868 5.063 -0.195 1
1 1061 . 8 1 1 A 118 118 TYR H H 118 9.020 8.085 0.935 1
1 1062 . 8 1 1 A 118 118 TYR N N 118 123.051 122.601 0.450 1
1 1063 . 8 1 1 A 118 118 TYR CA C 118 58.801 56.392 2.409 1
1 1064 . 8 1 1 A 118 118 TYR CB C 118 29.959 37.669 -7.710 1
1 1065 . 8 1 1 A 118 118 TYR C C 118 174.446 175.167 -0.721 1
1 1066 . 8 1 1 A 118 118 TYR HA H 118 3.897 4.482 -0.585 1
1 1069 . 8 1 1 A 119 119 GLY H H 119 7.999 8.971 -0.972 1
1 1070 . 8 1 1 A 119 119 GLY N N 119 116.885 113.143 3.742 1
1 1071 . 8 1 1 A 119 119 GLY CA C 119 42.599 45.838 -3.239 1
1 1072 . 8 1 1 A 119 119 GLY C C 119 172.439 173.642 -1.203 1
1 1073 . 8 1 1 A 119 119 GLY HA3 H 119 4.385 3.921 0.464 1
1 1074 . 8 1 1 A 119 119 GLY HA2 H 119 3.296 3.902 -0.606 1
1 1075 . 8 1 1 A 120 120 GLN H H 120 7.003 7.496 -0.493 1
1 1076 . 8 1 1 A 120 120 GLN N N 120 118.266 117.738 0.528 1
1 1077 . 8 1 1 A 120 120 GLN CA C 120 52.617 53.856 -1.239 1
1 1078 . 8 1 1 A 120 120 GLN CB C 120 27.324 32.035 -4.711 1
1 1079 . 8 1 1 A 120 120 GLN C C 120 174.995 175.570 -0.575 1
1 1080 . 8 1 1 A 120 120 GLN HA H 120 4.262 4.578 -0.316 1
1 1083 . 8 1 1 A 121 121 LYS H H 121 8.477 8.645 -0.168 1
1 1084 . 8 1 1 A 121 121 LYS N N 121 121.222 123.744 -2.522 1
1 1085 . 8 1 1 A 121 121 LYS CA C 121 56.243 57.333 -1.090 1
1 1086 . 8 1 1 A 121 121 LYS CB C 121 29.598 31.924 -2.326 1
1 1087 . 8 1 1 A 121 121 LYS C C 121 172.702 177.387 -4.685 1
1 1088 . 8 1 1 A 121 121 LYS HA H 121 3.809 4.223 -0.414 1
1 1093 . 8 1 1 A 122 122 ALA H H 122 7.526 7.734 -0.208 1
1 1094 . 8 1 1 A 122 122 ALA N N 122 116.019 122.055 -6.036 1
1 1095 . 8 1 1 A 122 122 ALA CA C 122 52.338 54.094 -1.756 1
1 1096 . 8 1 1 A 122 122 ALA CB C 122 18.675 18.374 0.301 1
1 1097 . 8 1 1 A 122 122 ALA C C 122 172.756 178.225 -5.469 1
1 1098 . 8 1 1 A 122 122 ALA HA H 122 3.947 4.096 -0.149 1
1 1102 . 8 1 1 A 123 123 ILE H H 123 5.794 7.160 -1.366 1
1 1103 . 8 1 1 A 123 123 ILE N N 123 101.200 114.636 -13.436 1
1 1104 . 8 1 1 A 123 123 ILE CA C 123 57.297 61.499 -4.202 1
1 1105 . 8 1 1 A 123 123 ILE CB C 123 35.425 37.968 -2.543 1
1 1106 . 8 1 1 A 123 123 ILE C C 123 172.790 175.115 -2.325 1
1 1107 . 8 1 1 A 123 123 ILE HA H 123 5.184 4.539 0.645 1
1 1116 . 8 1 1 A 124 124 LEU H H 124 6.716 7.786 -1.070 1
1 1117 . 8 1 1 A 124 124 LEU N N 124 121.554 123.067 -1.513 1
1 1118 . 8 1 1 A 124 124 LEU CA C 124 51.686 53.753 -2.067 1
1 1119 . 8 1 1 A 124 124 LEU CB C 124 39.622 41.342 -1.720 1
1 1120 . 8 1 1 A 124 124 LEU C C 124 173.411 175.350 -1.939 1
1 1121 . 8 1 1 A 124 124 LEU HA H 124 4.597 4.469 0.128 1
1 1130 . 8 1 1 A 125 125 PHE H H 125 9.226 8.646 0.580 1
1 1131 . 8 1 1 A 125 125 PHE N N 125 121.900 121.932 -0.032 1
1 1132 . 8 1 1 A 125 125 PHE CA C 125 54.604 55.242 -0.638 1
1 1133 . 8 1 1 A 125 125 PHE CB C 125 41.692 42.062 -0.370 1
1 1134 . 8 1 1 A 125 125 PHE C C 125 172.768 173.094 -0.326 1
1 1135 . 8 1 1 A 125 125 PHE HA H 125 5.612 5.753 -0.141 1
1 1138 . 8 1 1 A 126 126 LEU H H 126 9.932 9.110 0.822 1
1 1139 . 8 1 1 A 126 126 LEU N N 126 125.427 122.517 2.910 1
1 1140 . 8 1 1 A 126 126 LEU CA C 126 48.875 51.574 -2.699 1
1 1141 . 8 1 1 A 127 127 PRO CA C 127 58.907 62.185 -3.278 1
1 1142 . 8 1 1 A 127 127 PRO CB C 127 28.730 31.911 -3.181 1
1 1143 . 8 1 1 A 127 127 PRO C C 127 174.541 176.040 -1.499 1
1 1144 . 8 1 1 A 127 127 PRO HA H 127 5.587 5.278 0.309 1
1 1147 . 8 1 1 A 128 128 LEU H H 128 9.674 8.525 1.149 1
1 1148 . 8 1 1 A 128 128 LEU N N 128 129.196 124.617 4.579 1
1 1149 . 8 1 1 A 128 128 LEU CA C 128 49.523 51.789 -2.266 1
1 1150 . 8 1 1 A 128 128 LEU C C 128 175.960 175.343 0.617 1
1 1151 . 8 1 1 A 129 129 PRO CA C 129 60.043 62.349 -2.306 1
1 1152 . 8 1 1 A 129 129 PRO CB C 129 29.800 32.570 -2.770 1
1 1153 . 8 1 1 A 129 129 PRO C C 129 174.414 176.706 -2.292 1
1 1154 . 8 1 1 A 129 129 PRO HA H 129 4.710 4.848 -0.138 1
1 1160 . 8 1 1 A 130 130 VAL H H 130 7.992 7.924 0.068 1
1 1161 . 8 1 1 A 130 130 VAL N N 130 118.275 117.789 0.486 1
1 1162 . 8 1 1 A 130 130 VAL CA C 130 61.494 60.625 0.869 1
1 1163 . 8 1 1 A 130 130 VAL CB C 130 29.649 32.933 -3.284 1
1 1164 . 8 1 1 A 130 130 VAL C C 130 174.097 175.574 -1.477 1
1 1165 . 8 1 1 A 130 130 VAL HA H 130 3.794 4.404 -0.610 1
1 1173 . 8 1 1 A 131 131 SER H H 131 7.844 8.652 -0.808 1
1 1174 . 8 1 1 A 131 131 SER N N 131 115.853 122.531 -6.678 1
1 1175 . 8 1 1 A 131 131 SER CA C 131 55.233 59.065 -3.832 1
1 1176 . 8 1 1 A 131 131 SER CB C 131 61.375 63.484 -2.109 1
1 1177 . 8 1 1 A 131 131 SER C C 131 173.574 174.114 -0.540 1
1 1178 . 8 1 1 A 131 131 SER HA H 131 4.218 4.638 -0.420 1
1 1181 . 8 1 1 A 132 132 SER H H 132 8.196 8.773 -0.577 1
1 1182 . 8 1 1 A 132 132 SER N N 132 118.100 119.906 -1.806 1
1 1183 . 8 1 1 A 132 132 SER CA C 132 56.021 56.641 -0.620 1
1 1184 . 8 1 1 A 132 132 SER CB C 132 61.848 63.673 -1.825 1
1 1185 . 8 1 1 A 132 132 SER C C 132 170.997 173.243 -2.246 1
1 1186 . 8 1 1 A 132 132 SER HA H 132 4.484 5.114 -0.630 1
1 12 . 9 1 1 A 2 2 LYS H H 2 7.955 7.197 0.758 1
1 13 . 9 1 1 A 2 2 LYS N N 2 120.000 121.819 -1.819 1
1 14 . 9 1 1 A 2 2 LYS CA C 2 51.913 56.572 -4.659 1
1 15 . 9 1 1 A 2 2 LYS C C 2 174.300 175.206 -0.906 1
1 16 . 9 1 1 A 2 2 LYS HA H 2 4.270 4.091 0.179 1
1 18 . 9 1 1 A 3 3 LYS H H 3 7.960 8.736 -0.776 1
1 19 . 9 1 1 A 3 3 LYS N N 3 119.640 124.564 -4.924 1
1 20 . 9 1 1 A 3 3 LYS CA C 3 51.900 53.621 -1.721 1
1 21 . 9 1 1 A 3 3 LYS HA H 3 4.600 4.721 -0.121 1
1 24 . 9 1 1 A 4 4 PRO CA C 4 60.687 63.495 -2.808 1
1 25 . 9 1 1 A 4 4 PRO C C 4 172.359 176.023 -3.664 1
1 26 . 9 1 1 A 4 4 PRO CB C 4 30.627 31.901 -1.274 1
1 27 . 9 1 1 A 4 4 PRO HA H 4 4.716 4.470 0.246 1
1 29 . 9 1 1 A 5 5 LYS H H 5 9.357 8.952 0.405 1
1 30 . 9 1 1 A 5 5 LYS N N 5 119.100 121.789 -2.689 1
1 31 . 9 1 1 A 5 5 LYS CA C 5 51.445 55.873 -4.428 1
1 32 . 9 1 1 A 5 5 LYS CB C 5 34.945 33.932 1.013 1
1 33 . 9 1 1 A 5 5 LYS C C 5 171.776 175.752 -3.976 1
1 34 . 9 1 1 A 5 5 LYS HA H 5 5.062 4.663 0.399 1
1 37 . 9 1 1 A 6 6 LEU H H 6 8.944 9.071 -0.127 1
1 38 . 9 1 1 A 6 6 LEU N N 6 117.400 127.231 -9.831 1
1 39 . 9 1 1 A 6 6 LEU CA C 6 50.259 53.666 -3.407 1
1 40 . 9 1 1 A 6 6 LEU CB C 6 41.472 44.956 -3.484 1
1 41 . 9 1 1 A 6 6 LEU C C 6 174.676 175.655 -0.979 1
1 42 . 9 1 1 A 6 6 LEU HA H 6 4.984 5.027 -0.043 1
1 51 . 9 1 1 A 7 7 LEU H H 7 10.297 8.865 1.432 1
1 52 . 9 1 1 A 7 7 LEU N N 7 125.000 127.775 -2.775 1
1 53 . 9 1 1 A 7 7 LEU CA C 7 53.596 53.714 -0.118 1
1 54 . 9 1 1 A 7 7 LEU C C 7 172.290 175.184 -2.894 1
1 55 . 9 1 1 A 7 7 LEU HA H 7 5.083 5.014 0.069 1
1 65 . 9 1 1 A 8 8 TYR H H 8 8.483 8.815 -0.332 1
1 66 . 9 1 1 A 8 8 TYR N N 8 125.000 128.577 -3.577 1
1 67 . 9 1 1 A 8 8 TYR CA C 8 54.761 55.418 -0.657 1
1 68 . 9 1 1 A 8 8 TYR CB C 8 37.988 40.390 -2.402 1
1 69 . 9 1 1 A 8 8 TYR C C 8 171.270 173.630 -2.360 1
1 70 . 9 1 1 A 8 8 TYR HA H 8 4.592 5.310 -0.718 1
1 73 . 9 1 1 A 9 9 CYS H H 9 9.235 9.113 0.122 1
1 74 . 9 1 1 A 9 9 CYS N N 9 130.104 128.389 1.715 1
1 75 . 9 1 1 A 9 9 CYS CA C 9 55.588 56.896 -1.308 1
1 76 . 9 1 1 A 9 9 CYS CB C 9 26.864 30.786 -3.922 1
1 77 . 9 1 1 A 9 9 CYS C C 9 172.619 172.957 -0.338 1
1 78 . 9 1 1 A 9 9 CYS HA H 9 4.163 5.283 -1.120 1
1 82 . 9 1 1 A 10 10 SER H H 10 8.173 8.454 -0.281 1
1 83 . 9 1 1 A 10 10 SER N N 10 122.600 124.567 -1.967 1
1 84 . 9 1 1 A 10 10 SER CA C 10 57.853 57.373 0.480 1
1 85 . 9 1 1 A 10 10 SER CB C 10 61.820 63.755 -1.935 1
1 86 . 9 1 1 A 10 10 SER C C 10 172.210 172.846 -0.636 1
1 87 . 9 1 1 A 10 10 SER HA H 10 3.920 4.845 -0.925 1
1 89 . 9 1 1 A 11 11 ASN H H 11 7.450 8.718 -1.268 1
1 90 . 9 1 1 A 11 11 ASN N N 11 119.550 125.446 -5.896 1
1 91 . 9 1 1 A 11 11 ASN CA C 11 52.430 52.048 0.382 1
1 92 . 9 1 1 A 11 11 ASN HA H 11 4.360 5.134 -0.774 1
1 94 . 9 1 1 A 12 12 GLY C C 12 171.806 175.053 -3.247 1
1 95 . 9 1 1 A 12 12 GLY CA C 12 41.915 47.106 -5.191 1
1 96 . 9 1 1 A 12 12 GLY HA3 H 12 3.927 3.734 0.193 1
1 97 . 9 1 1 A 12 12 GLY H H 12 7.096 8.602 -1.506 1
1 98 . 9 1 1 A 12 12 GLY N N 12 109.300 110.869 -1.569 1
1 99 . 9 1 1 A 13 13 GLY H H 13 7.096 8.622 -1.526 1
1 100 . 9 1 1 A 13 13 GLY N N 13 109.300 113.555 -4.255 1
1 101 . 9 1 1 A 13 13 GLY CA C 13 44.272 46.325 -2.053 1
1 102 . 9 1 1 A 13 13 GLY C C 13 170.445 174.071 -3.626 1
1 103 . 9 1 1 A 13 13 GLY HA2 H 13 3.598 3.887 -0.289 1
1 104 . 9 1 1 A 13 13 GLY HA3 H 13 3.204 3.969 -0.765 1
1 105 . 9 1 1 A 14 14 HIS H H 14 6.302 7.565 -1.263 1
1 106 . 9 1 1 A 14 14 HIS N N 14 113.600 118.104 -4.504 1
1 107 . 9 1 1 A 14 14 HIS CA C 14 54.319 54.349 -0.030 1
1 108 . 9 1 1 A 14 14 HIS CB C 14 31.792 34.416 -2.624 1
1 109 . 9 1 1 A 14 14 HIS C C 14 171.281 173.228 -1.947 1
1 110 . 9 1 1 A 14 14 HIS HA H 14 4.104 5.179 -1.075 1
1 113 . 9 1 1 A 15 15 PHE H H 15 9.298 9.050 0.248 1
1 114 . 9 1 1 A 15 15 PHE N N 15 120.700 118.040 2.660 1
1 115 . 9 1 1 A 15 15 PHE CA C 15 54.273 56.525 -2.252 1
1 116 . 9 1 1 A 15 15 PHE CB C 15 37.632 43.151 -5.519 1
1 117 . 9 1 1 A 15 15 PHE C C 15 173.938 175.267 -1.329 1
1 118 . 9 1 1 A 15 15 PHE HA H 15 5.390 5.005 0.385 1
1 121 . 9 1 1 A 16 16 LEU H H 16 8.480 8.550 -0.070 1
1 122 . 9 1 1 A 16 16 LEU N N 16 124.700 121.489 3.211 1
1 123 . 9 1 1 A 16 16 LEU CA C 16 54.440 54.228 0.212 1
1 124 . 9 1 1 A 16 16 LEU C C 16 171.758 175.921 -4.163 1
1 125 . 9 1 1 A 16 16 LEU CB C 16 41.301 43.103 -1.802 1
1 126 . 9 1 1 A 16 16 LEU HA H 16 4.394 5.273 -0.879 1
1 129 . 9 1 1 A 17 17 ARG H H 17 9.339 9.327 0.012 1
1 130 . 9 1 1 A 17 17 ARG N N 17 126.971 120.421 6.550 1
1 131 . 9 1 1 A 17 17 ARG CA C 17 53.301 54.504 -1.203 1
1 132 . 9 1 1 A 17 17 ARG CB C 17 32.620 33.559 -0.939 1
1 133 . 9 1 1 A 17 17 ARG C C 17 171.302 175.199 -3.897 1
1 134 . 9 1 1 A 17 17 ARG HA H 17 4.715 5.219 -0.504 1
1 141 . 9 1 1 A 18 18 ILE H H 18 6.989 8.947 -1.958 1
1 142 . 9 1 1 A 18 18 ILE N N 18 120.966 122.090 -1.124 1
1 143 . 9 1 1 A 18 18 ILE CA C 18 57.903 60.060 -2.157 1
1 144 . 9 1 1 A 18 18 ILE C C 18 173.747 175.036 -1.289 1
1 145 . 9 1 1 A 18 18 ILE HA H 18 4.563 5.245 -0.682 1
1 150 . 9 1 1 A 19 19 LEU H H 19 8.940 8.609 0.331 1
1 151 . 9 1 1 A 19 19 LEU N N 19 128.097 127.866 0.231 1
1 152 . 9 1 1 A 19 19 LEU CA C 19 51.419 51.562 -0.143 1
1 153 . 9 1 1 A 20 20 PRO CA C 20 62.710 64.121 -1.411 1
1 154 . 9 1 1 A 20 20 PRO CB C 20 29.518 31.807 -2.289 1
1 155 . 9 1 1 A 20 20 PRO C C 20 173.966 177.109 -3.143 1
1 156 . 9 1 1 A 20 20 PRO HA H 20 4.319 5.118 -0.799 1
1 161 . 9 1 1 A 21 21 ASP H H 21 7.415 8.153 -0.738 1
1 162 . 9 1 1 A 21 21 ASP N N 21 114.000 117.377 -3.377 1
1 163 . 9 1 1 A 21 21 ASP CA C 21 51.361 54.177 -2.816 1
1 164 . 9 1 1 A 21 21 ASP CB C 21 37.419 41.271 -3.852 1
1 165 . 9 1 1 A 21 21 ASP C C 21 174.570 176.626 -2.056 1
1 166 . 9 1 1 A 21 21 ASP HA H 21 4.513 4.721 -0.208 1
1 169 . 9 1 1 A 22 22 GLY H H 22 8.404 8.456 -0.052 1
1 170 . 9 1 1 A 22 22 GLY N N 22 109.100 106.099 3.001 1
1 171 . 9 1 1 A 22 22 GLY CA C 22 43.166 46.009 -2.843 1
1 172 . 9 1 1 A 22 22 GLY C C 22 172.565 174.463 -1.898 1
1 173 . 9 1 1 A 22 22 GLY HA3 H 22 4.632 4.193 0.439 1
1 174 . 9 1 1 A 22 22 GLY HA2 H 22 3.838 4.133 -0.295 1
1 175 . 9 1 1 A 23 23 THR H H 23 7.894 7.629 0.265 1
1 176 . 9 1 1 A 23 23 THR N N 23 116.800 114.124 2.676 1
1 177 . 9 1 1 A 23 23 THR CA C 23 61.304 61.506 -0.202 1
1 178 . 9 1 1 A 23 23 THR CB C 23 67.455 71.443 -3.988 1
1 179 . 9 1 1 A 23 23 THR C C 23 170.170 172.624 -2.454 1
1 180 . 9 1 1 A 23 23 THR HA H 23 4.489 4.850 -0.361 1
1 185 . 9 1 1 A 24 24 VAL H H 24 7.792 9.070 -1.278 1
1 186 . 9 1 1 A 24 24 VAL N N 24 123.100 126.889 -3.789 1
1 187 . 9 1 1 A 24 24 VAL CA C 24 58.203 60.255 -2.052 1
1 188 . 9 1 1 A 24 24 VAL CB C 24 31.847 33.689 -1.842 1
1 189 . 9 1 1 A 24 24 VAL C C 24 171.629 174.664 -3.035 1
1 190 . 9 1 1 A 24 24 VAL HA H 24 5.084 4.795 0.289 1
1 195 . 9 1 1 A 25 25 ASP H H 25 8.906 8.743 0.163 1
1 196 . 9 1 1 A 25 25 ASP N N 25 131.200 126.233 4.967 1
1 197 . 9 1 1 A 25 25 ASP CA C 25 50.847 52.278 -1.431 1
1 198 . 9 1 1 A 25 25 ASP CB C 25 38.730 44.822 -6.092 1
1 199 . 9 1 1 A 25 25 ASP C C 25 170.281 174.885 -4.604 1
1 200 . 9 1 1 A 25 25 ASP HA H 25 4.313 5.381 -1.068 1
1 203 . 9 1 1 A 26 26 GLY H H 26 7.891 8.441 -0.550 1
1 204 . 9 1 1 A 26 26 GLY N N 26 102.500 107.098 -4.598 1
1 205 . 9 1 1 A 26 26 GLY CA C 26 42.057 44.616 -2.559 1
1 206 . 9 1 1 A 26 26 GLY C C 26 169.975 173.058 -3.083 1
1 207 . 9 1 1 A 26 26 GLY HA3 H 26 5.529 4.307 1.222 1
1 208 . 9 1 1 A 26 26 GLY HA2 H 26 3.015 4.263 -1.248 1
1 209 . 9 1 1 A 27 27 THR H H 27 8.529 9.620 -1.091 1
1 210 . 9 1 1 A 27 27 THR N N 27 112.700 118.466 -5.766 1
1 211 . 9 1 1 A 27 27 THR CA C 27 56.740 61.304 -4.564 1
1 212 . 9 1 1 A 27 27 THR CB C 27 67.326 72.579 -5.253 1
1 213 . 9 1 1 A 27 27 THR C C 27 170.554 173.369 -2.815 1
1 214 . 9 1 1 A 27 27 THR HA H 27 5.189 5.059 0.130 1
1 219 . 9 1 1 A 28 28 ARG H H 28 8.993 8.356 0.637 1
1 220 . 9 1 1 A 28 28 ARG N N 28 127.500 124.312 3.188 1
1 221 . 9 1 1 A 28 28 ARG CA C 28 54.938 56.032 -1.094 1
1 222 . 9 1 1 A 28 28 ARG CB C 28 37.260 30.539 6.721 1
1 223 . 9 1 1 A 28 28 ARG C C 28 173.450 175.033 -1.583 1
1 224 . 9 1 1 A 28 28 ARG HA H 28 4.691 4.966 -0.275 1
1 227 . 9 1 1 A 29 29 ASP H H 29 8.323 8.688 -0.365 1
1 228 . 9 1 1 A 29 29 ASP N N 29 121.000 124.757 -3.757 1
1 229 . 9 1 1 A 29 29 ASP CA C 29 50.779 52.396 -1.617 1
1 230 . 9 1 1 A 29 29 ASP C C 29 172.275 174.951 -2.676 1
1 231 . 9 1 1 A 29 29 ASP HA H 29 4.661 5.135 -0.474 1
1 234 . 9 1 1 A 30 30 ARG H H 30 8.342 8.813 -0.471 1
1 235 . 9 1 1 A 30 30 ARG N N 30 126.100 123.288 2.812 1
1 236 . 9 1 1 A 30 30 ARG CA C 30 54.924 55.513 -0.589 1
1 237 . 9 1 1 A 30 30 ARG CB C 30 28.367 29.677 -1.310 1
1 238 . 9 1 1 A 30 30 ARG C C 30 173.454 175.413 -1.959 1
1 239 . 9 1 1 A 30 30 ARG HA H 30 3.592 4.285 -0.693 1
1 243 . 9 1 1 A 31 31 SER H H 31 8.379 7.829 0.550 1
1 244 . 9 1 1 A 31 31 SER N N 31 113.600 113.194 0.406 1
1 245 . 9 1 1 A 31 31 SER CA C 31 55.918 59.094 -3.176 1
1 246 . 9 1 1 A 31 31 SER CB C 31 61.807 60.857 0.950 1
1 247 . 9 1 1 A 31 31 SER C C 31 171.758 173.663 -1.905 1
1 248 . 9 1 1 A 31 31 SER HA H 31 4.397 4.058 0.339 1
1 251 . 9 1 1 A 32 32 ASP H H 32 7.105 7.391 -0.286 1
1 252 . 9 1 1 A 32 32 ASP N N 32 125.000 122.990 2.010 1
1 253 . 9 1 1 A 32 32 ASP CA C 32 53.116 52.641 0.475 1
1 254 . 9 1 1 A 32 32 ASP CB C 32 41.585 42.889 -1.304 1
1 255 . 9 1 1 A 32 32 ASP C C 32 174.497 176.503 -2.006 1
1 256 . 9 1 1 A 32 32 ASP HA H 32 4.276 4.710 -0.434 1
1 259 . 9 1 1 A 33 33 GLN H H 33 8.775 8.478 0.297 1
1 260 . 9 1 1 A 33 33 GLN N N 33 124.700 122.640 2.060 1
1 261 . 9 1 1 A 33 33 GLN CA C 33 55.127 57.119 -1.992 1
1 262 . 9 1 1 A 33 33 GLN CB C 33 26.601 28.070 -1.469 1
1 263 . 9 1 1 A 33 33 GLN C C 33 174.900 176.140 -1.240 1
1 264 . 9 1 1 A 33 33 GLN HA H 33 4.061 4.878 -0.817 1
1 271 . 9 1 1 A 34 34 HIS H H 34 9.681 8.198 1.483 1
1 272 . 9 1 1 A 34 34 HIS N N 34 116.700 116.712 -0.012 1
1 273 . 9 1 1 A 34 34 HIS CA C 34 55.739 56.543 -0.804 1
1 274 . 9 1 1 A 34 34 HIS CB C 34 26.065 31.610 -5.545 1
1 275 . 9 1 1 A 34 34 HIS C C 34 172.307 176.273 -3.966 1
1 276 . 9 1 1 A 34 34 HIS HA H 34 4.885 4.788 0.097 1
1 279 . 9 1 1 A 35 35 ILE H H 35 6.711 8.024 -1.313 1
1 280 . 9 1 1 A 35 35 ILE N N 35 108.600 118.384 -9.784 1
1 281 . 9 1 1 A 35 35 ILE CA C 35 58.395 61.395 -3.000 1
1 282 . 9 1 1 A 35 35 ILE CB C 35 35.989 37.683 -1.694 1
1 283 . 9 1 1 A 35 35 ILE C C 35 172.249 176.152 -3.903 1
1 284 . 9 1 1 A 35 35 ILE HA H 35 5.114 4.351 0.763 1
1 293 . 9 1 1 A 36 36 GLN H H 36 7.148 7.863 -0.715 1
1 294 . 9 1 1 A 36 36 GLN N N 36 120.018 120.109 -0.091 1
1 295 . 9 1 1 A 36 36 GLN CA C 36 55.111 55.254 -0.143 1
1 296 . 9 1 1 A 36 36 GLN CB C 36 25.190 29.513 -4.323 1
1 297 . 9 1 1 A 36 36 GLN C C 36 172.952 175.314 -2.362 1
1 298 . 9 1 1 A 36 36 GLN HA H 36 4.261 4.697 -0.436 1
1 305 . 9 1 1 A 37 37 LEU H H 37 9.110 8.831 0.279 1
1 306 . 9 1 1 A 37 37 LEU N N 37 127.600 123.069 4.531 1
1 307 . 9 1 1 A 37 37 LEU CA C 37 51.329 52.727 -1.398 1
1 308 . 9 1 1 A 37 37 LEU CB C 37 42.165 44.736 -2.571 1
1 309 . 9 1 1 A 37 37 LEU C C 37 172.877 174.886 -2.009 1
1 310 . 9 1 1 A 37 37 LEU HA H 37 5.315 5.168 0.147 1
1 319 . 9 1 1 A 38 38 GLN H H 38 9.556 9.469 0.087 1
1 320 . 9 1 1 A 38 38 GLN N N 38 120.583 121.404 -0.821 1
1 321 . 9 1 1 A 38 38 GLN CA C 38 51.810 54.999 -3.189 1
1 322 . 9 1 1 A 38 38 GLN CB C 38 29.259 29.938 -0.679 1
1 323 . 9 1 1 A 38 38 GLN C C 38 172.676 174.480 -1.804 1
1 324 . 9 1 1 A 38 38 GLN HA H 38 4.623 4.643 -0.020 1
1 328 . 9 1 1 A 39 39 LEU H H 39 8.926 9.050 -0.124 1
1 329 . 9 1 1 A 39 39 LEU N N 39 131.700 129.918 1.782 1
1 330 . 9 1 1 A 39 39 LEU CA C 39 53.062 53.678 -0.616 1
1 331 . 9 1 1 A 39 39 LEU C C 39 174.601 175.813 -1.212 1
1 332 . 9 1 1 A 39 39 LEU HA H 39 5.506 5.216 0.290 1
1 341 . 9 1 1 A 40 40 SER H H 40 8.569 8.518 0.051 1
1 342 . 9 1 1 A 40 40 SER N N 40 115.900 120.694 -4.794 1
1 343 . 9 1 1 A 40 40 SER CA C 40 54.925 56.026 -1.101 1
1 344 . 9 1 1 A 40 40 SER CB C 40 46.694 65.772 -19.078 1
1 345 . 9 1 1 A 40 40 SER C C 40 170.046 173.079 -3.033 1
1 346 . 9 1 1 A 40 40 SER HA H 40 4.676 5.382 -0.706 1
1 349 . 9 1 1 A 41 41 ALA H H 41 8.357 8.613 -0.256 1
1 350 . 9 1 1 A 41 41 ALA N N 41 125.900 123.639 2.261 1
1 351 . 9 1 1 A 41 41 ALA CA C 41 49.309 50.695 -1.386 1
1 352 . 9 1 1 A 41 41 ALA CB C 41 27.376 19.992 7.384 1
1 353 . 9 1 1 A 41 41 ALA C C 41 175.352 177.134 -1.782 1
1 354 . 9 1 1 A 41 41 ALA HA H 41 5.016 4.765 0.251 1
1 358 . 9 1 1 A 42 42 GLU H H 42 8.485 8.300 0.185 1
1 359 . 9 1 1 A 42 42 GLU N N 42 125.400 124.534 0.866 1
1 360 . 9 1 1 A 42 42 GLU CA C 42 54.611 57.726 -3.115 1
1 361 . 9 1 1 A 42 42 GLU CB C 42 28.181 31.112 -2.931 1
1 362 . 9 1 1 A 42 42 GLU C C 42 174.014 176.078 -2.064 1
1 363 . 9 1 1 A 42 42 GLU HA H 42 4.444 4.474 -0.030 1
1 368 . 9 1 1 A 43 43 SER H H 43 8.020 7.941 0.079 1
1 369 . 9 1 1 A 43 43 SER N N 43 113.900 113.261 0.639 1
1 370 . 9 1 1 A 43 43 SER CA C 43 55.014 55.766 -0.752 1
1 371 . 9 1 1 A 43 43 SER CB C 43 61.687 65.746 -4.059 1
1 372 . 9 1 1 A 43 43 SER C C 43 171.119 173.610 -2.491 1
1 373 . 9 1 1 A 43 43 SER HA H 43 4.516 4.848 -0.332 1
1 376 . 9 1 1 A 44 44 VAL H H 44 8.113 8.532 -0.419 1
1 377 . 9 1 1 A 44 44 VAL N N 44 121.100 124.612 -3.512 1
1 378 . 9 1 1 A 44 44 VAL CA C 44 62.838 63.562 -0.724 1
1 379 . 9 1 1 A 44 44 VAL CB C 44 28.991 31.370 -2.379 1
1 380 . 9 1 1 A 44 44 VAL C C 44 175.533 176.734 -1.201 1
1 381 . 9 1 1 A 44 44 VAL HA H 44 3.868 3.848 0.020 1
1 389 . 9 1 1 A 45 45 GLY H H 45 8.807 8.917 -0.110 1
1 390 . 9 1 1 A 45 45 GLY N N 45 115.545 116.915 -1.370 1
1 391 . 9 1 1 A 45 45 GLY CA C 45 43.553 45.117 -1.564 1
1 392 . 9 1 1 A 45 45 GLY C C 45 170.948 174.172 -3.224 1
1 393 . 9 1 1 A 45 45 GLY HA3 H 45 4.296 4.023 0.273 1
1 394 . 9 1 1 A 45 45 GLY HA2 H 45 3.995 4.021 -0.026 1
1 395 . 9 1 1 A 46 46 GLU H H 46 7.985 7.802 0.183 1
1 396 . 9 1 1 A 46 46 GLU N N 46 121.200 118.709 2.491 1
1 397 . 9 1 1 A 46 46 GLU CA C 46 52.751 55.735 -2.984 1
1 398 . 9 1 1 A 46 46 GLU CB C 46 29.432 31.235 -1.803 1
1 399 . 9 1 1 A 46 46 GLU C C 46 173.583 175.914 -2.331 1
1 400 . 9 1 1 A 46 46 GLU HA H 46 5.442 4.753 0.689 1
1 405 . 9 1 1 A 47 47 VAL H H 47 9.560 9.130 0.430 1
1 406 . 9 1 1 A 47 47 VAL N N 47 116.400 117.645 -1.245 1
1 407 . 9 1 1 A 47 47 VAL CA C 47 56.846 60.059 -3.213 1
1 408 . 9 1 1 A 47 47 VAL CB C 47 33.714 34.419 -0.705 1
1 409 . 9 1 1 A 47 47 VAL C C 47 172.960 173.726 -0.766 1
1 410 . 9 1 1 A 47 47 VAL HA H 47 5.505 5.149 0.356 1
1 418 . 9 1 1 A 48 48 TYR H H 48 8.415 9.046 -0.631 1
1 419 . 9 1 1 A 48 48 TYR N N 48 117.400 125.748 -8.348 1
1 420 . 9 1 1 A 48 48 TYR CA C 48 54.331 55.760 -1.429 1
1 421 . 9 1 1 A 48 48 TYR CB C 48 39.296 41.456 -2.160 1
1 422 . 9 1 1 A 48 48 TYR C C 48 173.423 173.834 -0.411 1
1 423 . 9 1 1 A 48 48 TYR HA H 48 5.290 5.353 -0.063 1
1 426 . 9 1 1 A 49 49 ILE H H 49 10.532 8.675 1.857 1
1 427 . 9 1 1 A 49 49 ILE N N 49 123.100 128.373 -5.273 1
1 428 . 9 1 1 A 49 49 ILE CA C 49 59.573 60.336 -0.763 1
1 429 . 9 1 1 A 49 49 ILE CB C 49 40.504 37.611 2.893 1
1 430 . 9 1 1 A 49 49 ILE C C 49 170.853 175.201 -4.348 1
1 431 . 9 1 1 A 49 49 ILE HA H 49 4.341 4.677 -0.336 1
1 438 . 9 1 1 A 50 50 LYS H H 50 8.511 9.084 -0.573 1
1 439 . 9 1 1 A 50 50 LYS N N 50 125.800 124.876 0.924 1
1 440 . 9 1 1 A 50 50 LYS CA C 50 51.179 54.562 -3.383 1
1 441 . 9 1 1 A 50 50 LYS CB C 50 34.816 36.063 -1.247 1
1 442 . 9 1 1 A 50 50 LYS C C 50 173.759 175.314 -1.555 1
1 443 . 9 1 1 A 50 50 LYS HA H 50 4.991 5.055 -0.064 1
1 451 . 9 1 1 A 51 51 SER H H 51 8.920 8.833 0.087 1
1 452 . 9 1 1 A 51 51 SER N N 51 117.579 114.338 3.241 1
1 453 . 9 1 1 A 51 51 SER CA C 51 55.043 57.527 -2.484 1
1 454 . 9 1 1 A 51 51 SER CB C 51 61.065 63.711 -2.646 1
1 455 . 9 1 1 A 51 51 SER C C 51 175.084 174.741 0.343 1
1 456 . 9 1 1 A 51 51 SER HA H 51 4.666 4.690 -0.024 1
1 459 . 9 1 1 A 52 52 THR H H 52 8.342 8.216 0.126 1
1 460 . 9 1 1 A 52 52 THR N N 52 123.200 118.253 4.947 1
1 461 . 9 1 1 A 52 52 THR CA C 52 62.792 64.746 -1.954 1
1 462 . 9 1 1 A 52 52 THR CB C 52 65.611 68.962 -3.351 1
1 463 . 9 1 1 A 52 52 THR C C 52 173.566 176.670 -3.104 1
1 464 . 9 1 1 A 52 52 THR HA H 52 3.996 4.090 -0.094 1
1 469 . 9 1 1 A 53 53 GLU H H 53 8.312 7.949 0.363 1
1 470 . 9 1 1 A 53 53 GLU N N 53 122.000 120.790 1.210 1
1 471 . 9 1 1 A 53 53 GLU CA C 53 55.889 58.370 -2.481 1
1 472 . 9 1 1 A 53 53 GLU CB C 53 28.359 30.536 -2.177 1
1 473 . 9 1 1 A 53 53 GLU C C 53 175.327 177.885 -2.558 1
1 474 . 9 1 1 A 53 53 GLU HA H 53 4.311 4.191 0.120 1
1 477 . 9 1 1 A 54 54 THR H H 54 7.724 7.909 -0.185 1
1 478 . 9 1 1 A 54 54 THR N N 54 103.100 110.833 -7.733 1
1 479 . 9 1 1 A 54 54 THR CA C 54 58.555 62.029 -3.474 1
1 480 . 9 1 1 A 54 54 THR CB C 54 69.030 69.183 -0.153 1
1 481 . 9 1 1 A 54 54 THR C C 54 173.942 175.419 -1.477 1
1 482 . 9 1 1 A 54 54 THR HA H 54 4.681 4.662 0.019 1
1 487 . 9 1 1 A 55 55 GLY H H 55 7.643 8.141 -0.498 1
1 488 . 9 1 1 A 55 55 GLY N N 55 110.700 110.717 -0.017 1
1 489 . 9 1 1 A 55 55 GLY CA C 55 43.594 45.766 -2.172 1
1 490 . 9 1 1 A 55 55 GLY HA3 H 55 4.150 3.996 0.154 1
1 491 . 9 1 1 A 55 55 GLY HA2 H 55 3.591 3.986 -0.395 1
1 492 . 9 1 1 A 55 55 GLY C C 55 170.694 173.938 -3.244 1
1 493 . 9 1 1 A 56 56 GLN H H 56 7.211 7.654 -0.443 1
1 494 . 9 1 1 A 56 56 GLN N N 56 115.700 115.342 0.358 1
1 495 . 9 1 1 A 56 56 GLN CA C 56 53.898 55.052 -1.154 1
1 496 . 9 1 1 A 56 56 GLN CB C 56 30.456 32.702 -2.246 1
1 497 . 9 1 1 A 56 56 GLN C C 56 172.141 173.293 -1.152 1
1 498 . 9 1 1 A 56 56 GLN HA H 56 4.311 4.957 -0.646 1
1 504 . 9 1 1 A 57 57 TYR H H 57 9.254 8.937 0.317 1
1 505 . 9 1 1 A 57 57 TYR N N 57 119.400 124.205 -4.805 1
1 506 . 9 1 1 A 57 57 TYR CA C 57 53.356 56.083 -2.727 1
1 507 . 9 1 1 A 57 57 TYR CB C 57 40.466 37.701 2.765 1
1 508 . 9 1 1 A 57 57 TYR C C 57 173.320 174.109 -0.789 1
1 509 . 9 1 1 A 57 57 TYR HA H 57 4.128 5.855 -1.727 1
1 512 . 9 1 1 A 58 58 LEU H H 58 9.126 8.816 0.310 1
1 513 . 9 1 1 A 58 58 LEU N N 58 123.600 128.112 -4.512 1
1 514 . 9 1 1 A 58 58 LEU CA C 58 53.256 55.633 -2.377 1
1 515 . 9 1 1 A 58 58 LEU CB C 58 40.466 42.273 -1.807 1
1 516 . 9 1 1 A 58 58 LEU C C 58 172.320 175.154 -2.834 1
1 517 . 9 1 1 A 58 58 LEU HA H 58 4.128 4.390 -0.262 1
1 524 . 9 1 1 A 59 59 ALA H H 59 8.656 8.127 0.529 1
1 525 . 9 1 1 A 59 59 ALA N N 59 126.947 128.881 -1.934 1
1 526 . 9 1 1 A 59 59 ALA CA C 59 48.450 50.389 -1.939 1
1 527 . 9 1 1 A 59 59 ALA CB C 59 21.261 21.630 -0.369 1
1 528 . 9 1 1 A 59 59 ALA C C 59 172.722 175.355 -2.633 1
1 529 . 9 1 1 A 59 59 ALA HA H 59 5.124 4.963 0.161 1
1 533 . 9 1 1 A 60 60 MET H H 60 7.521 9.006 -1.485 1
1 534 . 9 1 1 A 60 60 MET N N 60 116.602 123.682 -7.080 1
1 535 . 9 1 1 A 60 60 MET CA C 60 52.251 54.704 -2.453 1
1 536 . 9 1 1 A 60 60 MET CB C 60 35.046 33.837 1.209 1
1 537 . 9 1 1 A 60 60 MET C C 60 173.753 175.170 -1.417 1
1 538 . 9 1 1 A 60 60 MET HA H 60 5.527 4.743 0.784 1
1 543 . 9 1 1 A 61 61 ASP H H 61 9.159 8.630 0.529 1
1 544 . 9 1 1 A 61 61 ASP N N 61 128.445 123.209 5.236 1
1 545 . 9 1 1 A 61 61 ASP CA C 61 51.480 52.623 -1.143 1
1 546 . 9 1 1 A 61 61 ASP CB C 61 39.346 42.321 -2.975 1
1 547 . 9 1 1 A 61 61 ASP C C 61 175.800 176.260 -0.460 1
1 548 . 9 1 1 A 61 61 ASP HA H 61 5.046 5.125 -0.079 1
1 551 . 9 1 1 A 62 62 THR H H 62 7.972 8.908 -0.936 1
1 552 . 9 1 1 A 62 62 THR N N 62 107.806 119.161 -11.355 1
1 553 . 9 1 1 A 62 62 THR CA C 62 62.626 63.452 -0.826 1
1 554 . 9 1 1 A 62 62 THR CB C 62 66.955 66.746 0.209 1
1 555 . 9 1 1 A 62 62 THR C C 62 172.355 174.437 -2.082 1
1 556 . 9 1 1 A 62 62 THR HA H 62 4.134 4.149 -0.015 1
1 561 . 9 1 1 A 63 63 ASP H H 63 8.333 8.581 -0.248 1
1 562 . 9 1 1 A 63 63 ASP N N 63 119.831 121.498 -1.667 1
1 563 . 9 1 1 A 63 63 ASP CA C 63 51.865 55.594 -3.729 1
1 564 . 9 1 1 A 63 63 ASP CB C 63 39.182 40.568 -1.386 1
1 565 . 9 1 1 A 63 63 ASP C C 63 174.438 177.358 -2.920 1
1 566 . 9 1 1 A 63 63 ASP HA H 63 4.964 4.445 0.519 1
1 569 . 9 1 1 A 64 64 GLY H H 64 8.264 8.479 -0.215 1
1 570 . 9 1 1 A 64 64 GLY N N 64 109.142 106.805 2.337 1
1 571 . 9 1 1 A 64 64 GLY CA C 64 42.923 45.375 -2.452 1
1 572 . 9 1 1 A 64 64 GLY C C 64 171.248 173.949 -2.701 1
1 573 . 9 1 1 A 64 64 GLY HA3 H 64 3.652 3.984 -0.332 1
1 574 . 9 1 1 A 64 64 GLY HA2 H 64 3.397 3.908 -0.511 1
1 575 . 9 1 1 A 65 65 LEU H H 65 8.636 7.682 0.954 1
1 576 . 9 1 1 A 65 65 LEU N N 65 123.137 120.221 2.916 1
1 577 . 9 1 1 A 65 65 LEU CA C 65 52.224 54.679 -2.455 1
1 578 . 9 1 1 A 65 65 LEU CB C 65 40.557 45.399 -4.842 1
1 579 . 9 1 1 A 65 65 LEU C C 65 174.507 174.200 0.307 1
1 580 . 9 1 1 A 65 65 LEU HA H 65 4.529 4.796 -0.267 1
1 590 . 9 1 1 A 66 66 LEU H H 66 7.431 8.658 -1.227 1
1 591 . 9 1 1 A 66 66 LEU N N 66 124.493 128.401 -3.908 1
1 592 . 9 1 1 A 66 66 LEU CA C 66 51.635 53.409 -1.774 1
1 593 . 9 1 1 A 66 66 LEU CB C 66 40.474 42.327 -1.853 1
1 594 . 9 1 1 A 66 66 LEU C C 66 174.070 175.761 -1.691 1
1 595 . 9 1 1 A 66 66 LEU HA H 66 5.714 5.168 0.546 1
1 605 . 9 1 1 A 67 67 TYR H H 67 9.237 8.779 0.458 1
1 606 . 9 1 1 A 67 67 TYR N N 67 120.360 122.616 -2.256 1
1 607 . 9 1 1 A 67 67 TYR CA C 67 54.076 55.057 -0.981 1
1 608 . 9 1 1 A 67 67 TYR CB C 67 38.903 42.104 -3.201 1
1 609 . 9 1 1 A 67 67 TYR C C 67 169.640 173.918 -4.278 1
1 610 . 9 1 1 A 67 67 TYR HA H 67 5.023 5.811 -0.788 1
1 612 . 9 1 1 A 68 68 GLY H H 68 8.928 8.416 0.512 1
1 613 . 9 1 1 A 68 68 GLY N N 68 105.646 106.389 -0.743 1
1 614 . 9 1 1 A 68 68 GLY CA C 68 41.569 45.753 -4.184 1
1 615 . 9 1 1 A 68 68 GLY C C 68 170.551 172.828 -2.277 1
1 616 . 9 1 1 A 68 68 GLY HA2 H 68 4.676 4.108 0.568 1
1 617 . 9 1 1 A 69 69 SER H H 69 9.608 8.731 0.877 1
1 618 . 9 1 1 A 69 69 SER N N 69 120.100 115.394 4.706 1
1 619 . 9 1 1 A 69 69 SER CA C 69 53.737 59.369 -5.632 1
1 620 . 9 1 1 A 69 69 SER CB C 69 63.042 65.078 -2.036 1
1 621 . 9 1 1 A 69 69 SER C C 69 174.219 175.634 -1.415 1
1 622 . 9 1 1 A 69 69 SER HA H 69 4.966 4.714 0.252 1
1 625 . 9 1 1 A 70 70 GLN H H 70 9.343 8.518 0.825 1
1 626 . 9 1 1 A 70 70 GLN N N 70 127.339 119.187 8.152 1
1 627 . 9 1 1 A 70 70 GLN CA C 70 56.139 57.733 -1.594 1
1 628 . 9 1 1 A 70 70 GLN CB C 70 27.092 30.376 -3.284 1
1 629 . 9 1 1 A 70 70 GLN C C 70 173.241 176.307 -3.066 1
1 630 . 9 1 1 A 70 70 GLN HA H 70 4.286 4.416 -0.130 1
1 638 . 9 1 1 A 71 71 THR H H 71 7.532 7.846 -0.314 1
1 639 . 9 1 1 A 71 71 THR N N 71 108.100 112.738 -4.638 1
1 640 . 9 1 1 A 71 71 THR CA C 71 55.203 59.135 -3.932 1
1 641 . 9 1 1 A 71 71 THR HA H 71 4.780 4.911 -0.131 1
1 643 . 9 1 1 A 72 72 PRO CA C 72 60.050 62.128 -2.078 1
1 644 . 9 1 1 A 72 72 PRO CB C 72 26.678 31.323 -4.645 1
1 645 . 9 1 1 A 72 72 PRO C C 72 172.920 175.903 -2.983 1
1 646 . 9 1 1 A 72 72 PRO HA H 72 4.173 5.017 -0.844 1
1 649 . 9 1 1 A 73 73 ASN H H 73 7.321 8.747 -1.426 1
1 650 . 9 1 1 A 73 73 ASN N N 73 119.200 120.755 -1.555 1
1 651 . 9 1 1 A 73 73 ASN CA C 73 49.994 51.933 -1.939 1
1 652 . 9 1 1 A 74 74 GLU H H 74 9.030 8.564 0.466 1
1 653 . 9 1 1 A 74 74 GLU CA C 74 57.131 55.485 1.646 1
1 654 . 9 1 1 A 74 74 GLU CB C 74 27.005 30.492 -3.487 1
1 655 . 9 1 1 A 74 74 GLU C C 74 176.352 176.307 0.045 1
1 656 . 9 1 1 A 74 74 GLU HA H 74 4.130 4.618 -0.488 1
1 661 . 9 1 1 A 75 75 GLU H H 75 8.574 8.432 0.142 1
1 662 . 9 1 1 A 75 75 GLU N N 75 119.200 122.532 -3.332 1
1 663 . 9 1 1 A 75 75 GLU CA C 75 56.343 56.655 -0.312 1
1 664 . 9 1 1 A 75 75 GLU CB C 75 26.028 31.777 -5.749 1
1 665 . 9 1 1 A 75 75 GLU C C 75 173.866 177.157 -3.291 1
1 666 . 9 1 1 A 75 75 GLU HA H 75 4.206 4.543 -0.337 1
1 671 . 9 1 1 A 76 76 CYS H H 76 7.727 7.157 0.570 1
1 672 . 9 1 1 A 76 76 CYS N N 76 113.800 117.303 -3.503 1
1 673 . 9 1 1 A 76 76 CYS CA C 76 55.635 59.639 -4.004 1
1 674 . 9 1 1 A 76 76 CYS CB C 76 26.036 27.670 -1.634 1
1 675 . 9 1 1 A 76 76 CYS C C 76 170.849 174.293 -3.444 1
1 676 . 9 1 1 A 76 76 CYS HA H 76 5.426 3.965 1.461 1
1 679 . 9 1 1 A 77 77 LEU H H 77 6.241 7.050 -0.809 1
1 680 . 9 1 1 A 77 77 LEU N N 77 118.069 119.979 -1.910 1
1 681 . 9 1 1 A 77 77 LEU CA C 77 51.793 53.622 -1.829 1
1 682 . 9 1 1 A 77 77 LEU CB C 77 42.123 42.510 -0.387 1
1 683 . 9 1 1 A 77 77 LEU C C 77 173.882 175.909 -2.027 1
1 684 . 9 1 1 A 77 77 LEU HA H 77 4.555 4.137 0.418 1
1 694 . 9 1 1 A 78 78 PHE H H 78 9.067 8.456 0.611 1
1 695 . 9 1 1 A 78 78 PHE N N 78 122.377 120.191 2.186 1
1 696 . 9 1 1 A 78 78 PHE CA C 78 54.917 56.396 -1.479 1
1 697 . 9 1 1 A 78 78 PHE CB C 78 40.597 43.752 -3.155 1
1 698 . 9 1 1 A 78 78 PHE C C 78 171.853 174.614 -2.761 1
1 699 . 9 1 1 A 78 78 PHE HA H 78 5.169 5.099 0.070 1
1 702 . 9 1 1 A 79 79 LEU H H 79 9.958 9.034 0.924 1
1 703 . 9 1 1 A 79 79 LEU N N 79 122.126 123.066 -0.940 1
1 704 . 9 1 1 A 79 79 LEU CA C 79 51.232 54.393 -3.161 1
1 705 . 9 1 1 A 79 79 LEU CB C 79 38.511 44.208 -5.697 1
1 706 . 9 1 1 A 79 79 LEU C C 79 173.055 175.650 -2.595 1
1 707 . 9 1 1 A 79 79 LEU HA H 79 4.686 4.938 -0.252 1
1 713 . 9 1 1 A 80 80 GLU H H 80 8.347 8.937 -0.590 1
1 714 . 9 1 1 A 80 80 GLU N N 80 126.300 127.838 -1.538 1
1 715 . 9 1 1 A 80 80 GLU CA C 80 52.558 55.217 -2.659 1
1 716 . 9 1 1 A 80 80 GLU CB C 80 30.892 31.379 -0.487 1
1 717 . 9 1 1 A 80 80 GLU C C 80 173.355 175.112 -1.757 1
1 718 . 9 1 1 A 80 80 GLU HA H 80 4.832 4.892 -0.060 1
1 721 . 9 1 1 A 81 81 ARG H H 81 8.840 8.678 0.162 1
1 722 . 9 1 1 A 81 81 ARG N N 81 129.522 128.576 0.946 1
1 723 . 9 1 1 A 81 81 ARG CA C 81 52.288 54.332 -2.044 1
1 724 . 9 1 1 A 81 81 ARG CB C 81 38.588 33.694 4.894 1
1 725 . 9 1 1 A 81 81 ARG C C 81 172.258 174.331 -2.073 1
1 726 . 9 1 1 A 81 81 ARG HA H 81 4.659 4.993 -0.334 1
1 732 . 9 1 1 A 82 82 LEU H H 82 8.347 8.965 -0.618 1
1 733 . 9 1 1 A 82 82 LEU N N 82 125.700 128.334 -2.634 1
1 734 . 9 1 1 A 82 82 LEU CA C 82 52.631 53.706 -1.075 1
1 735 . 9 1 1 A 82 82 LEU CB C 82 40.304 42.948 -2.644 1
1 736 . 9 1 1 A 82 82 LEU C C 82 174.567 175.503 -0.936 1
1 737 . 9 1 1 A 82 82 LEU HA H 82 4.875 4.825 0.050 1
1 744 . 9 1 1 A 83 83 GLU H H 83 9.064 8.222 0.842 1
1 745 . 9 1 1 A 83 83 GLU N N 83 125.600 124.825 0.775 1
1 746 . 9 1 1 A 83 83 GLU CA C 83 51.723 56.050 -4.327 1
1 747 . 9 1 1 A 83 83 GLU CB C 83 43.703 30.531 13.172 1
1 748 . 9 1 1 A 83 83 GLU C C 83 174.885 176.891 -2.006 1
1 749 . 9 1 1 A 83 83 GLU HA H 83 4.974 4.320 0.654 1
1 752 . 9 1 1 A 84 84 GLU H H 84 8.806 9.085 -0.279 1
1 753 . 9 1 1 A 84 84 GLU N N 84 120.300 124.267 -3.967 1
1 754 . 9 1 1 A 84 84 GLU CA C 84 55.553 56.586 -1.033 1
1 755 . 9 1 1 A 84 84 GLU CB C 84 27.117 29.767 -2.650 1
1 756 . 9 1 1 A 84 84 GLU C C 84 174.261 176.883 -2.622 1
1 757 . 9 1 1 A 84 84 GLU HA H 84 4.112 4.272 -0.160 1
1 761 . 9 1 1 A 85 85 ASN H H 85 8.429 7.828 0.601 1
1 762 . 9 1 1 A 85 85 ASN N N 85 114.800 116.803 -2.003 1
1 763 . 9 1 1 A 85 85 ASN CA C 85 51.788 53.012 -1.224 1
1 764 . 9 1 1 A 85 85 ASN CB C 85 35.301 38.659 -3.358 1
1 765 . 9 1 1 A 85 85 ASN C C 85 172.203 174.067 -1.864 1
1 766 . 9 1 1 A 85 85 ASN HA H 85 4.343 4.927 -0.584 1
1 769 . 9 1 1 A 86 86 HIS H H 86 8.081 7.813 0.268 1
1 770 . 9 1 1 A 86 86 HIS N N 86 108.737 114.896 -6.159 1
1 771 . 9 1 1 A 86 86 HIS CA C 86 55.255 56.710 -1.455 1
1 772 . 9 1 1 A 86 86 HIS CB C 86 24.858 26.974 -2.116 1
1 773 . 9 1 1 A 86 86 HIS C C 86 171.039 173.641 -2.602 1
1 774 . 9 1 1 A 86 86 HIS HA H 86 4.260 4.163 0.097 1
1 777 . 9 1 1 A 87 87 TYR H H 87 7.592 7.380 0.212 1
1 778 . 9 1 1 A 87 87 TYR N N 87 117.738 114.108 3.630 1
1 779 . 9 1 1 A 87 87 TYR CA C 87 56.163 55.988 0.175 1
1 780 . 9 1 1 A 87 87 TYR CB C 87 38.643 40.669 -2.026 1
1 781 . 9 1 1 A 87 87 TYR C C 87 171.983 172.217 -0.234 1
1 782 . 9 1 1 A 87 87 TYR HA H 87 4.836 5.180 -0.344 1
1 784 . 9 1 1 A 88 88 ASN H H 88 9.840 9.425 0.415 1
1 785 . 9 1 1 A 88 88 ASN N N 88 118.891 119.828 -0.937 1
1 786 . 9 1 1 A 88 88 ASN CA C 88 50.063 52.235 -2.172 1
1 787 . 9 1 1 A 88 88 ASN CB C 88 40.242 40.554 -0.312 1
1 788 . 9 1 1 A 88 88 ASN C C 88 172.471 174.364 -1.893 1
1 789 . 9 1 1 A 88 88 ASN HA H 88 5.837 5.308 0.529 1
1 795 . 9 1 1 A 89 89 THR H H 89 8.380 8.761 -0.381 1
1 796 . 9 1 1 A 89 89 THR N N 89 108.521 119.052 -10.531 1
1 797 . 9 1 1 A 89 89 THR CA C 89 57.357 60.174 -2.817 1
1 798 . 9 1 1 A 89 89 THR CB C 89 70.868 72.639 -1.771 1
1 799 . 9 1 1 A 89 89 THR C C 89 170.548 172.382 -1.834 1
1 800 . 9 1 1 A 89 89 THR HA H 89 5.127 5.428 -0.301 1
1 805 . 9 1 1 A 90 90 TYR H H 90 10.247 9.111 1.136 1
1 806 . 9 1 1 A 90 90 TYR N N 90 119.000 121.106 -2.106 1
1 807 . 9 1 1 A 90 90 TYR CA C 90 55.106 56.181 -1.075 1
1 808 . 9 1 1 A 90 90 TYR CB C 90 39.047 42.730 -3.683 1
1 809 . 9 1 1 A 90 90 TYR C C 90 172.442 174.733 -2.291 1
1 810 . 9 1 1 A 90 90 TYR HA H 90 5.472 5.333 0.139 1
1 812 . 9 1 1 A 91 91 ILE H H 91 8.781 9.543 -0.762 1
1 813 . 9 1 1 A 91 91 ILE N N 91 122.546 121.883 0.663 1
1 814 . 9 1 1 A 91 91 ILE CA C 91 56.346 59.448 -3.102 1
1 815 . 9 1 1 A 91 91 ILE CB C 91 36.627 41.517 -4.890 1
1 816 . 9 1 1 A 91 91 ILE C C 91 172.924 174.449 -1.525 1
1 817 . 9 1 1 A 91 91 ILE HA H 91 4.673 5.031 -0.358 1
1 826 . 9 1 1 A 92 92 SER H H 92 8.191 8.407 -0.216 1
1 827 . 9 1 1 A 92 92 SER N N 92 120.200 119.763 0.437 1
1 828 . 9 1 1 A 92 92 SER CA C 92 55.781 57.360 -1.579 1
1 829 . 9 1 1 A 92 92 SER CB C 92 62.382 63.167 -0.785 1
1 830 . 9 1 1 A 92 92 SER C C 92 172.863 174.675 -1.812 1
1 831 . 9 1 1 A 92 92 SER HA H 92 4.016 5.112 -1.096 1
1 833 . 9 1 1 A 93 93 LYS H H 93 7.993 9.151 -1.158 1
1 834 . 9 1 1 A 93 93 LYS N N 93 130.618 126.745 3.873 1
1 835 . 9 1 1 A 93 93 LYS CA C 93 57.942 58.404 -0.462 1
1 836 . 9 1 1 A 93 93 LYS CB C 93 30.889 32.383 -1.494 1
1 837 . 9 1 1 A 93 93 LYS C C 93 176.938 178.344 -1.406 1
1 838 . 9 1 1 A 93 93 LYS HA H 93 3.779 4.325 -0.546 1
1 844 . 9 1 1 A 94 94 LYS H H 94 8.616 7.980 0.636 1
1 845 . 9 1 1 A 94 94 LYS N N 94 120.044 119.543 0.501 1
1 846 . 9 1 1 A 94 94 LYS CA C 94 55.868 59.187 -3.319 1
1 847 . 9 1 1 A 94 94 LYS CB C 94 30.329 32.392 -2.063 1
1 848 . 9 1 1 A 94 94 LYS C C 94 174.491 178.329 -3.838 1
1 849 . 9 1 1 A 94 94 LYS HA H 94 3.851 4.169 -0.318 1
1 856 . 9 1 1 A 95 95 HIS H H 95 7.249 8.357 -1.108 1
1 857 . 9 1 1 A 95 95 HIS N N 95 114.486 114.886 -0.400 1
1 858 . 9 1 1 A 95 95 HIS CA C 95 51.180 54.982 -3.802 1
1 859 . 9 1 1 A 95 95 HIS CB C 95 26.844 28.034 -1.190 1
1 860 . 9 1 1 A 95 95 HIS C C 95 173.734 175.650 -1.916 1
1 861 . 9 1 1 A 95 95 HIS HA H 95 4.604 4.531 0.073 1
1 864 . 9 1 1 A 96 96 ALA H H 96 7.104 7.840 -0.736 1
1 865 . 9 1 1 A 96 96 ALA N N 96 125.204 123.939 1.265 1
1 866 . 9 1 1 A 96 96 ALA CA C 96 53.758 55.256 -1.498 1
1 867 . 9 1 1 A 96 96 ALA CB C 96 16.578 18.354 -1.776 1
1 868 . 9 1 1 A 96 96 ALA C C 96 178.508 179.579 -1.071 1
1 869 . 9 1 1 A 96 96 ALA HA H 96 4.131 3.809 0.322 1
1 873 . 9 1 1 A 97 97 GLU H H 97 8.857 7.998 0.859 1
1 874 . 9 1 1 A 97 97 GLU N N 97 118.007 118.636 -0.629 1
1 875 . 9 1 1 A 97 97 GLU CA C 97 56.153 59.161 -3.008 1
1 876 . 9 1 1 A 97 97 GLU CB C 97 26.241 29.459 -3.218 1
1 877 . 9 1 1 A 97 97 GLU C C 97 174.813 177.825 -3.012 1
1 878 . 9 1 1 A 97 97 GLU HA H 97 4.063 4.017 0.046 1
1 882 . 9 1 1 A 98 98 LYS H H 98 7.116 7.403 -0.287 1
1 883 . 9 1 1 A 98 98 LYS N N 98 116.241 116.559 -0.318 1
1 884 . 9 1 1 A 98 98 LYS CA C 98 52.852 56.194 -3.342 1
1 885 . 9 1 1 A 98 98 LYS CB C 98 29.959 32.389 -2.430 1
1 886 . 9 1 1 A 98 98 LYS C C 98 173.361 175.722 -2.361 1
1 887 . 9 1 1 A 98 98 LYS HA H 98 4.280 4.392 -0.112 1
1 893 . 9 1 1 A 99 99 ASN H H 99 7.842 8.034 -0.192 1
1 894 . 9 1 1 A 99 99 ASN N N 99 113.000 114.438 -1.438 1
1 895 . 9 1 1 A 99 99 ASN CA C 99 52.240 54.451 -2.211 1
1 896 . 9 1 1 A 99 99 ASN CB C 99 35.289 36.580 -1.291 1
1 897 . 9 1 1 A 99 99 ASN C C 99 170.506 174.822 -4.316 1
1 898 . 9 1 1 A 99 99 ASN HA H 99 3.772 4.400 -0.628 1
1 904 . 9 1 1 A 100 100 TRP H H 100 6.369 7.558 -1.189 1
1 905 . 9 1 1 A 100 100 TRP N N 100 116.000 119.869 -3.869 1
1 906 . 9 1 1 A 100 100 TRP CA C 100 53.179 57.697 -4.518 1
1 907 . 9 1 1 A 100 100 TRP CB C 100 28.228 30.303 -2.075 1
1 908 . 9 1 1 A 100 100 TRP C C 100 171.701 175.887 -4.186 1
1 909 . 9 1 1 A 100 100 TRP HA H 100 4.816 4.948 -0.132 1
1 912 . 9 1 1 A 101 101 PHE H H 101 8.026 9.092 -1.066 1
1 913 . 9 1 1 A 101 101 PHE N N 101 124.185 119.445 4.740 1
1 914 . 9 1 1 A 101 101 PHE CA C 101 55.472 56.236 -0.764 1
1 915 . 9 1 1 A 101 101 PHE CB C 101 39.220 42.760 -3.540 1
1 916 . 9 1 1 A 101 101 PHE C C 101 175.044 175.465 -0.421 1
1 917 . 9 1 1 A 101 101 PHE HA H 101 5.373 5.225 0.148 1
1 920 . 9 1 1 A 102 102 VAL H H 102 8.499 8.758 -0.259 1
1 921 . 9 1 1 A 102 102 VAL N N 102 120.282 123.549 -3.267 1
1 922 . 9 1 1 A 102 102 VAL CA C 102 60.975 61.653 -0.678 1
1 923 . 9 1 1 A 102 102 VAL CB C 102 30.243 31.318 -1.075 1
1 924 . 9 1 1 A 102 102 VAL C C 102 174.220 176.046 -1.826 1
1 925 . 9 1 1 A 102 102 VAL HA H 102 3.939 4.392 -0.453 1
1 930 . 9 1 1 A 103 103 GLY H H 103 8.996 8.709 0.287 1
1 931 . 9 1 1 A 103 103 GLY N N 103 114.668 115.526 -0.858 1
1 932 . 9 1 1 A 103 103 GLY CA C 103 43.802 44.312 -0.510 1
1 933 . 9 1 1 A 103 103 GLY C C 103 169.388 172.076 -2.688 1
1 934 . 9 1 1 A 103 103 GLY HA2 H 103 5.275 4.441 0.834 1
1 935 . 9 1 1 A 103 103 GLY HA3 H 103 3.180 4.733 -1.553 1
1 936 . 9 1 1 A 104 104 LEU H H 104 8.118 8.687 -0.569 1
1 937 . 9 1 1 A 104 104 LEU N N 104 119.100 124.100 -5.000 1
1 938 . 9 1 1 A 104 104 LEU CA C 104 51.207 53.755 -2.548 1
1 939 . 9 1 1 A 104 104 LEU CB C 104 43.579 46.071 -2.492 1
1 940 . 9 1 1 A 104 104 LEU C C 104 174.252 174.387 -0.135 1
1 941 . 9 1 1 A 104 104 LEU HA H 104 4.959 5.081 -0.122 1
1 950 . 9 1 1 A 105 105 LYS H H 105 8.847 8.303 0.544 1
1 951 . 9 1 1 A 105 105 LYS N N 105 118.900 127.056 -8.156 1
1 952 . 9 1 1 A 105 105 LYS CA C 105 54.035 55.563 -1.528 1
1 953 . 9 1 1 A 105 105 LYS C C 105 176.404 176.611 -0.207 1
1 954 . 9 1 1 A 105 105 LYS HA H 105 4.215 4.345 -0.130 1
1 960 . 9 1 1 A 106 106 LYS H H 106 8.980 8.425 0.555 1
1 961 . 9 1 1 A 106 106 LYS N N 106 122.172 124.473 -2.301 1
1 962 . 9 1 1 A 106 106 LYS CA C 106 57.672 58.606 -0.934 1
1 963 . 9 1 1 A 106 106 LYS CB C 106 29.780 31.903 -2.123 1
1 964 . 9 1 1 A 106 106 LYS C C 106 174.499 178.645 -4.146 1
1 965 . 9 1 1 A 106 106 LYS HA H 106 3.624 3.966 -0.342 1
1 970 . 9 1 1 A 107 107 ASN H H 107 7.352 7.625 -0.273 1
1 971 . 9 1 1 A 107 107 ASN N N 107 112.743 118.181 -5.438 1
1 972 . 9 1 1 A 107 107 ASN CA C 107 49.523 54.854 -5.331 1
1 973 . 9 1 1 A 107 107 ASN CB C 107 35.121 37.946 -2.825 1
1 974 . 9 1 1 A 107 107 ASN C C 107 174.511 176.440 -1.929 1
1 975 . 9 1 1 A 107 107 ASN HA H 107 4.678 4.042 0.636 1
1 978 . 9 1 1 A 108 108 GLY H H 108 7.656 7.682 -0.026 1
1 979 . 9 1 1 A 108 108 GLY N N 108 109.900 107.529 2.371 1
1 980 . 9 1 1 A 108 108 GLY CA C 108 42.207 45.581 -3.374 1
1 981 . 9 1 1 A 108 108 GLY C C 108 169.305 174.010 -4.705 1
1 982 . 9 1 1 A 108 108 GLY HA3 H 108 3.358 3.933 -0.575 1
1 983 . 9 1 1 A 108 108 GLY HA2 H 108 2.111 3.887 -1.776 1
1 984 . 9 1 1 A 109 109 SER H H 109 7.280 7.816 -0.536 1
1 985 . 9 1 1 A 109 109 SER N N 109 112.357 109.987 2.370 1
1 986 . 9 1 1 A 109 109 SER CA C 109 55.139 57.653 -2.514 1
1 987 . 9 1 1 A 109 109 SER CB C 109 62.749 65.521 -2.772 1
1 988 . 9 1 1 A 109 109 SER C C 109 171.244 171.910 -0.666 1
1 989 . 9 1 1 A 109 109 SER HA H 109 4.755 4.799 -0.044 1
1 992 . 9 1 1 A 110 110 CYS H H 110 9.070 8.492 0.578 1
1 993 . 9 1 1 A 110 110 CYS N N 110 119.883 121.413 -1.530 1
1 994 . 9 1 1 A 110 110 CYS CA C 110 57.858 57.734 0.124 1
1 995 . 9 1 1 A 110 110 CYS CB C 110 37.322 28.227 9.095 1
1 996 . 9 1 1 A 110 110 CYS C C 110 172.131 173.793 -1.662 1
1 997 . 9 1 1 A 110 110 CYS HA H 110 4.296 4.827 -0.531 1
1 1000 . 9 1 1 A 111 111 LYS H H 111 8.095 9.007 -0.912 1
1 1001 . 9 1 1 A 111 111 LYS N N 111 128.642 124.120 4.522 1
1 1002 . 9 1 1 A 111 111 LYS CA C 111 52.117 54.908 -2.791 1
1 1003 . 9 1 1 A 111 111 LYS CB C 111 30.980 34.714 -3.734 1
1 1004 . 9 1 1 A 111 111 LYS C C 111 172.265 175.167 -2.902 1
1 1005 . 9 1 1 A 111 111 LYS HA H 111 4.380 5.147 -0.767 1
1 1010 . 9 1 1 A 112 112 ARG H H 112 8.566 8.746 -0.180 1
1 1011 . 9 1 1 A 112 112 ARG N N 112 124.700 124.502 0.198 1
1 1012 . 9 1 1 A 112 112 ARG CA C 112 54.295 54.634 -0.339 1
1 1013 . 9 1 1 A 112 112 ARG CB C 112 28.927 31.578 -2.651 1
1 1014 . 9 1 1 A 112 112 ARG C C 112 175.240 175.585 -0.345 1
1 1015 . 9 1 1 A 112 112 ARG HA H 112 4.252 4.717 -0.465 1
1 1021 . 9 1 1 A 113 113 GLY H H 113 9.408 8.083 1.325 1
1 1022 . 9 1 1 A 113 113 GLY N N 113 106.636 112.240 -5.604 1
1 1023 . 9 1 1 A 113 113 GLY CA C 113 44.552 46.093 -1.541 1
1 1024 . 9 1 1 A 113 113 GLY C C 113 169.610 174.005 -4.395 1
1 1025 . 9 1 1 A 113 113 GLY HA2 H 113 1.510 3.654 -2.144 1
1 1026 . 9 1 1 A 114 114 PRO CA C 114 62.529 64.778 -2.249 1
1 1027 . 9 1 1 A 114 114 PRO C C 114 174.543 176.929 -2.386 1
1 1028 . 9 1 1 A 114 114 PRO HA H 114 4.321 4.153 0.168 1
1 1033 . 9 1 1 A 115 115 ARG H H 115 8.067 7.915 0.152 1
1 1034 . 9 1 1 A 115 115 ARG N N 115 114.500 116.858 -2.358 1
1 1035 . 9 1 1 A 115 115 ARG CA C 115 52.011 55.348 -3.337 1
1 1036 . 9 1 1 A 115 115 ARG CB C 115 27.143 30.382 -3.239 1
1 1037 . 9 1 1 A 115 115 ARG C C 115 174.680 175.197 -0.517 1
1 1038 . 9 1 1 A 115 115 ARG HA H 115 4.508 4.056 0.452 1
1 1043 . 9 1 1 A 116 116 THR H H 116 7.643 7.255 0.388 1
1 1044 . 9 1 1 A 116 116 THR N N 116 111.716 112.083 -0.367 1
1 1045 . 9 1 1 A 116 116 THR CA C 116 58.712 61.638 -2.926 1
1 1046 . 9 1 1 A 116 116 THR CB C 116 70.086 68.731 1.355 1
1 1047 . 9 1 1 A 116 116 THR C C 116 172.573 174.115 -1.542 1
1 1048 . 9 1 1 A 116 116 THR HA H 116 5.198 4.321 0.877 1
1 1053 . 9 1 1 A 117 117 HIS H H 117 7.091 7.723 -0.632 1
1 1054 . 9 1 1 A 117 117 HIS N N 117 112.914 119.613 -6.699 1
1 1055 . 9 1 1 A 117 117 HIS CA C 117 53.291 54.486 -1.195 1
1 1056 . 9 1 1 A 117 117 HIS CB C 117 29.133 30.886 -1.753 1
1 1057 . 9 1 1 A 117 117 HIS C C 117 170.344 171.289 -0.945 1
1 1058 . 9 1 1 A 117 117 HIS HA H 117 4.868 4.099 0.769 1
1 1061 . 9 1 1 A 118 118 TYR H H 118 9.020 8.725 0.295 1
1 1062 . 9 1 1 A 118 118 TYR N N 118 123.051 120.597 2.454 1
1 1063 . 9 1 1 A 118 118 TYR CA C 118 58.801 56.535 2.266 1
1 1064 . 9 1 1 A 118 118 TYR CB C 118 29.959 37.800 -7.841 1
1 1065 . 9 1 1 A 118 118 TYR C C 118 174.446 175.101 -0.655 1
1 1066 . 9 1 1 A 118 118 TYR HA H 118 3.897 4.512 -0.615 1
1 1069 . 9 1 1 A 119 119 GLY H H 119 7.999 8.742 -0.743 1
1 1070 . 9 1 1 A 119 119 GLY N N 119 116.885 113.068 3.817 1
1 1071 . 9 1 1 A 119 119 GLY CA C 119 42.599 45.894 -3.295 1
1 1072 . 9 1 1 A 119 119 GLY C C 119 172.439 173.644 -1.205 1
1 1073 . 9 1 1 A 119 119 GLY HA3 H 119 4.385 3.864 0.521 1
1 1074 . 9 1 1 A 119 119 GLY HA2 H 119 3.296 3.780 -0.484 1
1 1075 . 9 1 1 A 120 120 GLN H H 120 7.003 7.526 -0.523 1
1 1076 . 9 1 1 A 120 120 GLN N N 120 118.266 119.209 -0.943 1
1 1077 . 9 1 1 A 120 120 GLN CA C 120 52.617 53.953 -1.336 1
1 1078 . 9 1 1 A 120 120 GLN CB C 120 27.324 31.645 -4.321 1
1 1079 . 9 1 1 A 120 120 GLN C C 120 174.995 175.152 -0.157 1
1 1080 . 9 1 1 A 120 120 GLN HA H 120 4.262 4.525 -0.263 1
1 1083 . 9 1 1 A 121 121 LYS H H 121 8.477 8.757 -0.280 1
1 1084 . 9 1 1 A 121 121 LYS N N 121 121.222 127.308 -6.086 1
1 1085 . 9 1 1 A 121 121 LYS CA C 121 56.243 57.173 -0.930 1
1 1086 . 9 1 1 A 121 121 LYS CB C 121 29.598 32.400 -2.802 1
1 1087 . 9 1 1 A 121 121 LYS C C 121 172.702 178.043 -5.341 1
1 1088 . 9 1 1 A 121 121 LYS HA H 121 3.809 4.253 -0.444 1
1 1093 . 9 1 1 A 122 122 ALA H H 122 7.526 7.664 -0.138 1
1 1094 . 9 1 1 A 122 122 ALA N N 122 116.019 121.928 -5.909 1
1 1095 . 9 1 1 A 122 122 ALA CA C 122 52.338 53.552 -1.214 1
1 1096 . 9 1 1 A 122 122 ALA CB C 122 18.675 18.128 0.547 1
1 1097 . 9 1 1 A 122 122 ALA C C 122 172.756 177.518 -4.762 1
1 1098 . 9 1 1 A 122 122 ALA HA H 122 3.947 4.086 -0.139 1
1 1102 . 9 1 1 A 123 123 ILE H H 123 5.794 6.949 -1.155 1
1 1103 . 9 1 1 A 123 123 ILE N N 123 101.200 114.638 -13.438 1
1 1104 . 9 1 1 A 123 123 ILE CA C 123 57.297 61.180 -3.883 1
1 1105 . 9 1 1 A 123 123 ILE CB C 123 35.425 37.794 -2.369 1
1 1106 . 9 1 1 A 123 123 ILE C C 123 172.790 176.477 -3.687 1
1 1107 . 9 1 1 A 123 123 ILE HA H 123 5.184 4.302 0.882 1
1 1116 . 9 1 1 A 124 124 LEU H H 124 6.716 7.154 -0.438 1
1 1117 . 9 1 1 A 124 124 LEU N N 124 121.554 125.341 -3.787 1
1 1118 . 9 1 1 A 124 124 LEU CA C 124 51.686 53.525 -1.839 1
1 1119 . 9 1 1 A 124 124 LEU CB C 124 39.622 41.145 -1.523 1
1 1120 . 9 1 1 A 124 124 LEU C C 124 173.411 174.635 -1.224 1
1 1121 . 9 1 1 A 124 124 LEU HA H 124 4.597 4.375 0.222 1
1 1130 . 9 1 1 A 125 125 PHE H H 125 9.226 9.265 -0.039 1
1 1131 . 9 1 1 A 125 125 PHE N N 125 121.900 126.638 -4.738 1
1 1132 . 9 1 1 A 125 125 PHE CA C 125 54.604 57.195 -2.591 1
1 1133 . 9 1 1 A 125 125 PHE CB C 125 41.692 41.467 0.225 1
1 1134 . 9 1 1 A 125 125 PHE C C 125 172.768 175.009 -2.241 1
1 1135 . 9 1 1 A 125 125 PHE HA H 125 5.612 5.135 0.477 1
1 1138 . 9 1 1 A 126 126 LEU H H 126 9.932 9.032 0.900 1
1 1139 . 9 1 1 A 126 126 LEU N N 126 125.427 123.540 1.887 1
1 1140 . 9 1 1 A 126 126 LEU CA C 126 48.875 51.342 -2.467 1
1 1141 . 9 1 1 A 127 127 PRO CA C 127 58.907 62.198 -3.291 1
1 1142 . 9 1 1 A 127 127 PRO CB C 127 28.730 31.779 -3.049 1
1 1143 . 9 1 1 A 127 127 PRO C C 127 174.541 176.144 -1.603 1
1 1144 . 9 1 1 A 127 127 PRO HA H 127 5.587 5.132 0.455 1
1 1147 . 9 1 1 A 128 128 LEU H H 128 9.674 8.341 1.333 1
1 1148 . 9 1 1 A 128 128 LEU N N 128 129.196 125.216 3.980 1
1 1149 . 9 1 1 A 128 128 LEU CA C 128 49.523 52.146 -2.623 1
1 1150 . 9 1 1 A 128 128 LEU C C 128 175.960 175.255 0.705 1
1 1151 . 9 1 1 A 129 129 PRO CA C 129 60.043 62.223 -2.180 1
1 1152 . 9 1 1 A 129 129 PRO CB C 129 29.800 32.585 -2.785 1
1 1153 . 9 1 1 A 129 129 PRO C C 129 174.414 176.822 -2.408 1
1 1154 . 9 1 1 A 129 129 PRO HA H 129 4.710 4.781 -0.071 1
1 1160 . 9 1 1 A 130 130 VAL H H 130 7.992 8.155 -0.163 1
1 1161 . 9 1 1 A 130 130 VAL N N 130 118.275 117.386 0.889 1
1 1162 . 9 1 1 A 130 130 VAL CA C 130 61.494 60.942 0.552 1
1 1163 . 9 1 1 A 130 130 VAL CB C 130 29.649 33.000 -3.351 1
1 1164 . 9 1 1 A 130 130 VAL C C 130 174.097 175.269 -1.172 1
1 1165 . 9 1 1 A 130 130 VAL HA H 130 3.794 4.433 -0.639 1
1 1173 . 9 1 1 A 131 131 SER H H 131 7.844 8.876 -1.032 1
1 1174 . 9 1 1 A 131 131 SER N N 131 115.853 122.437 -6.584 1
1 1175 . 9 1 1 A 131 131 SER CA C 131 55.233 56.966 -1.733 1
1 1176 . 9 1 1 A 131 131 SER CB C 131 61.375 64.460 -3.085 1
1 1177 . 9 1 1 A 131 131 SER C C 131 173.574 173.849 -0.275 1
1 1178 . 9 1 1 A 131 131 SER HA H 131 4.218 5.288 -1.070 1
1 1181 . 9 1 1 A 132 132 SER H H 132 8.196 9.062 -0.866 1
1 1182 . 9 1 1 A 132 132 SER N N 132 118.100 119.904 -1.804 1
1 1183 . 9 1 1 A 132 132 SER CA C 132 56.021 57.345 -1.324 1
1 1184 . 9 1 1 A 132 132 SER CB C 132 61.848 64.219 -2.371 1
1 1185 . 9 1 1 A 132 132 SER C C 132 170.997 172.258 -1.261 1
1 1186 . 9 1 1 A 132 132 SER HA H 132 4.484 5.068 -0.584 1
1 12 . 10 1 1 A 2 2 LYS H H 2 7.955 8.858 -0.903 1
1 13 . 10 1 1 A 2 2 LYS N N 2 120.000 123.401 -3.401 1
1 14 . 10 1 1 A 2 2 LYS CA C 2 51.913 56.411 -4.498 1
1 15 . 10 1 1 A 2 2 LYS C C 2 174.300 176.533 -2.233 1
1 16 . 10 1 1 A 2 2 LYS HA H 2 4.270 4.389 -0.119 1
1 18 . 10 1 1 A 3 3 LYS H H 3 7.960 8.940 -0.980 1
1 19 . 10 1 1 A 3 3 LYS N N 3 119.640 124.414 -4.774 1
1 20 . 10 1 1 A 3 3 LYS CA C 3 51.900 60.815 -8.915 1
1 21 . 10 1 1 A 3 3 LYS HA H 3 4.600 4.273 0.327 1
1 24 . 10 1 1 A 4 4 PRO CA C 4 60.687 63.527 -2.840 1
1 25 . 10 1 1 A 4 4 PRO C C 4 172.359 176.372 -4.013 1
1 26 . 10 1 1 A 4 4 PRO CB C 4 30.627 32.183 -1.556 1
1 27 . 10 1 1 A 4 4 PRO HA H 4 4.716 4.437 0.279 1
1 29 . 10 1 1 A 5 5 LYS H H 5 9.357 9.373 -0.016 1
1 30 . 10 1 1 A 5 5 LYS N N 5 119.100 123.170 -4.070 1
1 31 . 10 1 1 A 5 5 LYS CA C 5 51.445 54.972 -3.527 1
1 32 . 10 1 1 A 5 5 LYS CB C 5 34.945 34.985 -0.040 1
1 33 . 10 1 1 A 5 5 LYS C C 5 171.776 176.344 -4.568 1
1 34 . 10 1 1 A 5 5 LYS HA H 5 5.062 4.909 0.153 1
1 37 . 10 1 1 A 6 6 LEU H H 6 8.944 9.321 -0.377 1
1 38 . 10 1 1 A 6 6 LEU N N 6 117.400 119.651 -2.251 1
1 39 . 10 1 1 A 6 6 LEU CA C 6 50.259 53.214 -2.955 1
1 40 . 10 1 1 A 6 6 LEU CB C 6 41.472 43.994 -2.522 1
1 41 . 10 1 1 A 6 6 LEU C C 6 174.676 175.477 -0.801 1
1 42 . 10 1 1 A 6 6 LEU HA H 6 4.984 5.263 -0.279 1
1 51 . 10 1 1 A 7 7 LEU H H 7 10.297 8.802 1.495 1
1 52 . 10 1 1 A 7 7 LEU N N 7 125.000 123.479 1.521 1
1 53 . 10 1 1 A 7 7 LEU CA C 7 53.596 53.764 -0.168 1
1 54 . 10 1 1 A 7 7 LEU C C 7 172.290 175.214 -2.924 1
1 55 . 10 1 1 A 7 7 LEU HA H 7 5.083 4.908 0.175 1
1 65 . 10 1 1 A 8 8 TYR H H 8 8.483 8.854 -0.371 1
1 66 . 10 1 1 A 8 8 TYR N N 8 125.000 128.714 -3.714 1
1 67 . 10 1 1 A 8 8 TYR CA C 8 54.761 55.414 -0.653 1
1 68 . 10 1 1 A 8 8 TYR CB C 8 37.988 39.772 -1.784 1
1 69 . 10 1 1 A 8 8 TYR C C 8 171.270 174.011 -2.741 1
1 70 . 10 1 1 A 8 8 TYR HA H 8 4.592 5.164 -0.572 1
1 73 . 10 1 1 A 9 9 CYS H H 9 9.235 8.729 0.506 1
1 74 . 10 1 1 A 9 9 CYS N N 9 130.104 128.191 1.913 1
1 75 . 10 1 1 A 9 9 CYS CA C 9 55.588 58.016 -2.428 1
1 76 . 10 1 1 A 9 9 CYS CB C 9 26.864 28.935 -2.071 1
1 77 . 10 1 1 A 9 9 CYS C C 9 172.619 173.411 -0.792 1
1 78 . 10 1 1 A 9 9 CYS HA H 9 4.163 5.089 -0.926 1
1 82 . 10 1 1 A 10 10 SER H H 10 8.173 8.091 0.082 1
1 83 . 10 1 1 A 10 10 SER N N 10 122.600 119.782 2.818 1
1 84 . 10 1 1 A 10 10 SER CA C 10 57.853 57.556 0.297 1
1 85 . 10 1 1 A 10 10 SER CB C 10 61.820 66.759 -4.939 1
1 86 . 10 1 1 A 10 10 SER C C 10 172.210 171.979 0.231 1
1 87 . 10 1 1 A 10 10 SER HA H 10 3.920 5.108 -1.188 1
1 89 . 10 1 1 A 11 11 ASN H H 11 7.450 8.650 -1.200 1
1 90 . 10 1 1 A 11 11 ASN N N 11 119.550 122.817 -3.267 1
1 91 . 10 1 1 A 11 11 ASN CA C 11 52.430 52.718 -0.288 1
1 92 . 10 1 1 A 11 11 ASN HA H 11 4.360 4.923 -0.563 1
1 94 . 10 1 1 A 12 12 GLY C C 12 171.806 172.440 -0.634 1
1 95 . 10 1 1 A 12 12 GLY CA C 12 41.915 45.917 -4.002 1
1 96 . 10 1 1 A 12 12 GLY HA3 H 12 3.927 4.218 -0.291 1
1 97 . 10 1 1 A 12 12 GLY H H 12 7.096 7.989 -0.893 1
1 98 . 10 1 1 A 12 12 GLY N N 12 109.300 112.468 -3.168 1
1 99 . 10 1 1 A 13 13 GLY H H 13 7.096 7.705 -0.609 1
1 100 . 10 1 1 A 13 13 GLY N N 13 109.300 107.193 2.107 1
1 101 . 10 1 1 A 13 13 GLY CA C 13 44.272 45.406 -1.134 1
1 102 . 10 1 1 A 13 13 GLY C C 13 170.445 172.343 -1.898 1
1 103 . 10 1 1 A 13 13 GLY HA2 H 13 3.598 3.983 -0.385 1
1 104 . 10 1 1 A 13 13 GLY HA3 H 13 3.204 4.167 -0.963 1
1 105 . 10 1 1 A 14 14 HIS H H 14 6.302 8.578 -2.276 1
1 106 . 10 1 1 A 14 14 HIS N N 14 113.600 120.815 -7.215 1
1 107 . 10 1 1 A 14 14 HIS CA C 14 54.319 54.319 0.000 1
1 108 . 10 1 1 A 14 14 HIS CB C 14 31.792 34.245 -2.453 1
1 109 . 10 1 1 A 14 14 HIS C C 14 171.281 173.688 -2.407 1
1 110 . 10 1 1 A 14 14 HIS HA H 14 4.104 5.066 -0.962 1
1 113 . 10 1 1 A 15 15 PHE H H 15 9.298 9.323 -0.025 1
1 114 . 10 1 1 A 15 15 PHE N N 15 120.700 118.198 2.502 1
1 115 . 10 1 1 A 15 15 PHE CA C 15 54.273 56.333 -2.060 1
1 116 . 10 1 1 A 15 15 PHE CB C 15 37.632 42.868 -5.236 1
1 117 . 10 1 1 A 15 15 PHE C C 15 173.938 174.453 -0.515 1
1 118 . 10 1 1 A 15 15 PHE HA H 15 5.390 5.245 0.145 1
1 121 . 10 1 1 A 16 16 LEU H H 16 8.480 8.664 -0.184 1
1 122 . 10 1 1 A 16 16 LEU N N 16 124.700 124.968 -0.268 1
1 123 . 10 1 1 A 16 16 LEU CA C 16 54.440 54.880 -0.440 1
1 124 . 10 1 1 A 16 16 LEU C C 16 171.758 175.558 -3.800 1
1 125 . 10 1 1 A 16 16 LEU CB C 16 41.301 43.773 -2.472 1
1 126 . 10 1 1 A 16 16 LEU HA H 16 4.394 5.291 -0.897 1
1 129 . 10 1 1 A 17 17 ARG H H 17 9.339 9.452 -0.113 1
1 130 . 10 1 1 A 17 17 ARG N N 17 126.971 127.788 -0.817 1
1 131 . 10 1 1 A 17 17 ARG CA C 17 53.301 54.342 -1.041 1
1 132 . 10 1 1 A 17 17 ARG CB C 17 32.620 33.940 -1.320 1
1 133 . 10 1 1 A 17 17 ARG C C 17 171.302 175.716 -4.414 1
1 134 . 10 1 1 A 17 17 ARG HA H 17 4.715 5.179 -0.464 1
1 141 . 10 1 1 A 18 18 ILE H H 18 6.989 8.811 -1.822 1
1 142 . 10 1 1 A 18 18 ILE N N 18 120.966 120.631 0.335 1
1 143 . 10 1 1 A 18 18 ILE CA C 18 57.903 59.629 -1.726 1
1 144 . 10 1 1 A 18 18 ILE C C 18 173.747 174.696 -0.949 1
1 145 . 10 1 1 A 18 18 ILE HA H 18 4.563 5.139 -0.576 1
1 150 . 10 1 1 A 19 19 LEU H H 19 8.940 8.765 0.175 1
1 151 . 10 1 1 A 19 19 LEU N N 19 128.097 125.084 3.013 1
1 152 . 10 1 1 A 19 19 LEU CA C 19 51.419 51.388 0.031 1
1 153 . 10 1 1 A 20 20 PRO CA C 20 62.710 64.278 -1.568 1
1 154 . 10 1 1 A 20 20 PRO CB C 20 29.518 31.889 -2.371 1
1 155 . 10 1 1 A 20 20 PRO C C 20 173.966 176.602 -2.636 1
1 156 . 10 1 1 A 20 20 PRO HA H 20 4.319 4.563 -0.244 1
1 161 . 10 1 1 A 21 21 ASP H H 21 7.415 7.921 -0.506 1
1 162 . 10 1 1 A 21 21 ASP N N 21 114.000 115.529 -1.529 1
1 163 . 10 1 1 A 21 21 ASP CA C 21 51.361 53.664 -2.303 1
1 164 . 10 1 1 A 21 21 ASP CB C 21 37.419 41.689 -4.270 1
1 165 . 10 1 1 A 21 21 ASP C C 21 174.570 176.293 -1.723 1
1 166 . 10 1 1 A 21 21 ASP HA H 21 4.513 4.571 -0.058 1
1 169 . 10 1 1 A 22 22 GLY H H 22 8.404 8.035 0.369 1
1 170 . 10 1 1 A 22 22 GLY N N 22 109.100 108.454 0.646 1
1 171 . 10 1 1 A 22 22 GLY CA C 22 43.166 45.922 -2.756 1
1 172 . 10 1 1 A 22 22 GLY C C 22 172.565 174.246 -1.681 1
1 173 . 10 1 1 A 22 22 GLY HA3 H 22 4.632 4.226 0.406 1
1 174 . 10 1 1 A 22 22 GLY HA2 H 22 3.838 4.219 -0.381 1
1 175 . 10 1 1 A 23 23 THR H H 23 7.894 7.706 0.188 1
1 176 . 10 1 1 A 23 23 THR N N 23 116.800 114.177 2.623 1
1 177 . 10 1 1 A 23 23 THR CA C 23 61.304 61.373 -0.069 1
1 178 . 10 1 1 A 23 23 THR CB C 23 67.455 71.930 -4.475 1
1 179 . 10 1 1 A 23 23 THR C C 23 170.170 173.392 -3.222 1
1 180 . 10 1 1 A 23 23 THR HA H 23 4.489 4.975 -0.486 1
1 185 . 10 1 1 A 24 24 VAL H H 24 7.792 8.617 -0.825 1
1 186 . 10 1 1 A 24 24 VAL N N 24 123.100 125.462 -2.362 1
1 187 . 10 1 1 A 24 24 VAL CA C 24 58.203 60.245 -2.042 1
1 188 . 10 1 1 A 24 24 VAL CB C 24 31.847 34.320 -2.473 1
1 189 . 10 1 1 A 24 24 VAL C C 24 171.629 174.019 -2.390 1
1 190 . 10 1 1 A 24 24 VAL HA H 24 5.084 5.380 -0.296 1
1 195 . 10 1 1 A 25 25 ASP H H 25 8.906 8.741 0.165 1
1 196 . 10 1 1 A 25 25 ASP N N 25 131.200 125.894 5.306 1
1 197 . 10 1 1 A 25 25 ASP CA C 25 50.847 52.296 -1.449 1
1 198 . 10 1 1 A 25 25 ASP CB C 25 38.730 44.810 -6.080 1
1 199 . 10 1 1 A 25 25 ASP C C 25 170.281 175.270 -4.989 1
1 200 . 10 1 1 A 25 25 ASP HA H 25 4.313 5.355 -1.042 1
1 203 . 10 1 1 A 26 26 GLY H H 26 7.891 8.661 -0.770 1
1 204 . 10 1 1 A 26 26 GLY N N 26 102.500 106.862 -4.362 1
1 205 . 10 1 1 A 26 26 GLY CA C 26 42.057 45.028 -2.971 1
1 206 . 10 1 1 A 26 26 GLY C C 26 169.975 173.063 -3.088 1
1 207 . 10 1 1 A 26 26 GLY HA3 H 26 5.529 4.200 1.329 1
1 208 . 10 1 1 A 26 26 GLY HA2 H 26 3.015 4.149 -1.134 1
1 209 . 10 1 1 A 27 27 THR H H 27 8.529 9.598 -1.069 1
1 210 . 10 1 1 A 27 27 THR N N 27 112.700 118.191 -5.491 1
1 211 . 10 1 1 A 27 27 THR CA C 27 56.740 61.319 -4.579 1
1 212 . 10 1 1 A 27 27 THR CB C 27 67.326 72.776 -5.450 1
1 213 . 10 1 1 A 27 27 THR C C 27 170.554 173.239 -2.685 1
1 214 . 10 1 1 A 27 27 THR HA H 27 5.189 5.055 0.134 1
1 219 . 10 1 1 A 28 28 ARG H H 28 8.993 8.376 0.617 1
1 220 . 10 1 1 A 28 28 ARG N N 28 127.500 124.088 3.412 1
1 221 . 10 1 1 A 28 28 ARG CA C 28 54.938 55.933 -0.995 1
1 222 . 10 1 1 A 28 28 ARG CB C 28 37.260 30.516 6.744 1
1 223 . 10 1 1 A 28 28 ARG C C 28 173.450 175.042 -1.592 1
1 224 . 10 1 1 A 28 28 ARG HA H 28 4.691 4.791 -0.100 1
1 227 . 10 1 1 A 29 29 ASP H H 29 8.323 8.705 -0.382 1
1 228 . 10 1 1 A 29 29 ASP N N 29 121.000 123.687 -2.687 1
1 229 . 10 1 1 A 29 29 ASP CA C 29 50.779 53.000 -2.221 1
1 230 . 10 1 1 A 29 29 ASP C C 29 172.275 175.488 -3.213 1
1 231 . 10 1 1 A 29 29 ASP HA H 29 4.661 5.109 -0.448 1
1 234 . 10 1 1 A 30 30 ARG H H 30 8.342 8.805 -0.463 1
1 235 . 10 1 1 A 30 30 ARG N N 30 126.100 123.524 2.576 1
1 236 . 10 1 1 A 30 30 ARG CA C 30 54.924 55.898 -0.974 1
1 237 . 10 1 1 A 30 30 ARG CB C 30 28.367 30.692 -2.325 1
1 238 . 10 1 1 A 30 30 ARG C C 30 173.454 175.716 -2.262 1
1 239 . 10 1 1 A 30 30 ARG HA H 30 3.592 4.041 -0.449 1
1 243 . 10 1 1 A 31 31 SER H H 31 8.379 7.689 0.690 1
1 244 . 10 1 1 A 31 31 SER N N 31 113.600 114.478 -0.878 1
1 245 . 10 1 1 A 31 31 SER CA C 31 55.918 59.129 -3.211 1
1 246 . 10 1 1 A 31 31 SER CB C 31 61.807 61.525 0.282 1
1 247 . 10 1 1 A 31 31 SER C C 31 171.758 173.447 -1.689 1
1 248 . 10 1 1 A 31 31 SER HA H 31 4.397 3.980 0.417 1
1 251 . 10 1 1 A 32 32 ASP H H 32 7.105 7.802 -0.697 1
1 252 . 10 1 1 A 32 32 ASP N N 32 125.000 118.875 6.125 1
1 253 . 10 1 1 A 32 32 ASP CA C 32 53.116 52.557 0.559 1
1 254 . 10 1 1 A 32 32 ASP CB C 32 41.585 41.357 0.228 1
1 255 . 10 1 1 A 32 32 ASP C C 32 174.497 177.719 -3.222 1
1 256 . 10 1 1 A 32 32 ASP HA H 32 4.276 4.801 -0.525 1
1 259 . 10 1 1 A 33 33 GLN H H 33 8.775 8.490 0.285 1
1 260 . 10 1 1 A 33 33 GLN N N 33 124.700 117.277 7.423 1
1 261 . 10 1 1 A 33 33 GLN CA C 33 55.127 57.566 -2.439 1
1 262 . 10 1 1 A 33 33 GLN CB C 33 26.601 28.208 -1.607 1
1 263 . 10 1 1 A 33 33 GLN C C 33 174.900 176.222 -1.322 1
1 264 . 10 1 1 A 33 33 GLN HA H 33 4.061 4.163 -0.102 1
1 271 . 10 1 1 A 34 34 HIS H H 34 9.681 7.947 1.734 1
1 272 . 10 1 1 A 34 34 HIS N N 34 116.700 115.861 0.839 1
1 273 . 10 1 1 A 34 34 HIS CA C 34 55.739 56.768 -1.029 1
1 274 . 10 1 1 A 34 34 HIS CB C 34 26.065 31.713 -5.648 1
1 275 . 10 1 1 A 34 34 HIS C C 34 172.307 176.277 -3.970 1
1 276 . 10 1 1 A 34 34 HIS HA H 34 4.885 4.783 0.102 1
1 279 . 10 1 1 A 35 35 ILE H H 35 6.711 7.795 -1.084 1
1 280 . 10 1 1 A 35 35 ILE N N 35 108.600 116.823 -8.223 1
1 281 . 10 1 1 A 35 35 ILE CA C 35 58.395 60.733 -2.338 1
1 282 . 10 1 1 A 35 35 ILE CB C 35 35.989 37.643 -1.654 1
1 283 . 10 1 1 A 35 35 ILE C C 35 172.249 175.446 -3.197 1
1 284 . 10 1 1 A 35 35 ILE HA H 35 5.114 4.315 0.799 1
1 293 . 10 1 1 A 36 36 GLN H H 36 7.148 7.944 -0.796 1
1 294 . 10 1 1 A 36 36 GLN N N 36 120.018 121.553 -1.535 1
1 295 . 10 1 1 A 36 36 GLN CA C 36 55.111 54.815 0.296 1
1 296 . 10 1 1 A 36 36 GLN CB C 36 25.190 30.002 -4.812 1
1 297 . 10 1 1 A 36 36 GLN C C 36 172.952 174.785 -1.833 1
1 298 . 10 1 1 A 36 36 GLN HA H 36 4.261 4.974 -0.713 1
1 305 . 10 1 1 A 37 37 LEU H H 37 9.110 9.224 -0.114 1
1 306 . 10 1 1 A 37 37 LEU N N 37 127.600 123.266 4.334 1
1 307 . 10 1 1 A 37 37 LEU CA C 37 51.329 52.917 -1.588 1
1 308 . 10 1 1 A 37 37 LEU CB C 37 42.165 44.920 -2.755 1
1 309 . 10 1 1 A 37 37 LEU C C 37 172.877 174.899 -2.022 1
1 310 . 10 1 1 A 37 37 LEU HA H 37 5.315 5.169 0.146 1
1 319 . 10 1 1 A 38 38 GLN H H 38 9.556 9.289 0.267 1
1 320 . 10 1 1 A 38 38 GLN N N 38 120.583 121.681 -1.098 1
1 321 . 10 1 1 A 38 38 GLN CA C 38 51.810 55.143 -3.333 1
1 322 . 10 1 1 A 38 38 GLN CB C 38 29.259 29.661 -0.402 1
1 323 . 10 1 1 A 38 38 GLN C C 38 172.676 174.460 -1.784 1
1 324 . 10 1 1 A 38 38 GLN HA H 38 4.623 4.571 0.052 1
1 328 . 10 1 1 A 39 39 LEU H H 39 8.926 8.998 -0.072 1
1 329 . 10 1 1 A 39 39 LEU N N 39 131.700 130.140 1.560 1
1 330 . 10 1 1 A 39 39 LEU CA C 39 53.062 53.786 -0.724 1
1 331 . 10 1 1 A 39 39 LEU C C 39 174.601 175.072 -0.471 1
1 332 . 10 1 1 A 39 39 LEU HA H 39 5.506 5.132 0.374 1
1 341 . 10 1 1 A 40 40 SER H H 40 8.569 8.795 -0.226 1
1 342 . 10 1 1 A 40 40 SER N N 40 115.900 124.168 -8.268 1
1 343 . 10 1 1 A 40 40 SER CA C 40 54.925 57.476 -2.551 1
1 344 . 10 1 1 A 40 40 SER CB C 40 46.694 66.334 -19.640 1
1 345 . 10 1 1 A 40 40 SER C C 40 170.046 172.915 -2.869 1
1 346 . 10 1 1 A 40 40 SER HA H 40 4.676 5.226 -0.550 1
1 349 . 10 1 1 A 41 41 ALA H H 41 8.357 8.611 -0.254 1
1 350 . 10 1 1 A 41 41 ALA N N 41 125.900 124.919 0.981 1
1 351 . 10 1 1 A 41 41 ALA CA C 41 49.309 50.652 -1.343 1
1 352 . 10 1 1 A 41 41 ALA CB C 41 27.376 20.148 7.228 1
1 353 . 10 1 1 A 41 41 ALA C C 41 175.352 177.094 -1.742 1
1 354 . 10 1 1 A 41 41 ALA HA H 41 5.016 4.885 0.131 1
1 358 . 10 1 1 A 42 42 GLU H H 42 8.485 9.077 -0.592 1
1 359 . 10 1 1 A 42 42 GLU N N 42 125.400 126.325 -0.925 1
1 360 . 10 1 1 A 42 42 GLU CA C 42 54.611 57.443 -2.832 1
1 361 . 10 1 1 A 42 42 GLU CB C 42 28.181 31.445 -3.264 1
1 362 . 10 1 1 A 42 42 GLU C C 42 174.014 176.206 -2.192 1
1 363 . 10 1 1 A 42 42 GLU HA H 42 4.444 4.499 -0.055 1
1 368 . 10 1 1 A 43 43 SER H H 43 8.020 7.887 0.133 1
1 369 . 10 1 1 A 43 43 SER N N 43 113.900 114.761 -0.861 1
1 370 . 10 1 1 A 43 43 SER CA C 43 55.014 57.302 -2.288 1
1 371 . 10 1 1 A 43 43 SER CB C 43 61.687 65.856 -4.169 1
1 372 . 10 1 1 A 43 43 SER C C 43 171.119 173.598 -2.479 1
1 373 . 10 1 1 A 43 43 SER HA H 43 4.516 4.811 -0.295 1
1 376 . 10 1 1 A 44 44 VAL H H 44 8.113 8.527 -0.414 1
1 377 . 10 1 1 A 44 44 VAL N N 44 121.100 124.020 -2.920 1
1 378 . 10 1 1 A 44 44 VAL CA C 44 62.838 63.716 -0.878 1
1 379 . 10 1 1 A 44 44 VAL CB C 44 28.991 31.381 -2.390 1
1 380 . 10 1 1 A 44 44 VAL C C 44 175.533 177.048 -1.515 1
1 381 . 10 1 1 A 44 44 VAL HA H 44 3.868 3.813 0.055 1
1 389 . 10 1 1 A 45 45 GLY H H 45 8.807 8.763 0.044 1
1 390 . 10 1 1 A 45 45 GLY N N 45 115.545 116.343 -0.798 1
1 391 . 10 1 1 A 45 45 GLY CA C 45 43.553 45.502 -1.949 1
1 392 . 10 1 1 A 45 45 GLY C C 45 170.948 173.363 -2.415 1
1 393 . 10 1 1 A 45 45 GLY HA3 H 45 4.296 3.948 0.348 1
1 394 . 10 1 1 A 45 45 GLY HA2 H 45 3.995 3.941 0.054 1
1 395 . 10 1 1 A 46 46 GLU H H 46 7.985 7.743 0.242 1
1 396 . 10 1 1 A 46 46 GLU N N 46 121.200 121.591 -0.391 1
1 397 . 10 1 1 A 46 46 GLU CA C 46 52.751 55.201 -2.450 1
1 398 . 10 1 1 A 46 46 GLU CB C 46 29.432 31.715 -2.283 1
1 399 . 10 1 1 A 46 46 GLU C C 46 173.583 175.795 -2.212 1
1 400 . 10 1 1 A 46 46 GLU HA H 46 5.442 4.839 0.603 1
1 405 . 10 1 1 A 47 47 VAL H H 47 9.560 9.105 0.455 1
1 406 . 10 1 1 A 47 47 VAL N N 47 116.400 121.588 -5.188 1
1 407 . 10 1 1 A 47 47 VAL CA C 47 56.846 60.214 -3.368 1
1 408 . 10 1 1 A 47 47 VAL CB C 47 33.714 33.978 -0.264 1
1 409 . 10 1 1 A 47 47 VAL C C 47 172.960 173.672 -0.712 1
1 410 . 10 1 1 A 47 47 VAL HA H 47 5.505 5.046 0.459 1
1 418 . 10 1 1 A 48 48 TYR H H 48 8.415 9.391 -0.976 1
1 419 . 10 1 1 A 48 48 TYR N N 48 117.400 126.181 -8.781 1
1 420 . 10 1 1 A 48 48 TYR CA C 48 54.331 55.829 -1.498 1
1 421 . 10 1 1 A 48 48 TYR CB C 48 39.296 41.713 -2.417 1
1 422 . 10 1 1 A 48 48 TYR C C 48 173.423 173.826 -0.403 1
1 423 . 10 1 1 A 48 48 TYR HA H 48 5.290 5.327 -0.037 1
1 426 . 10 1 1 A 49 49 ILE H H 49 10.532 9.287 1.245 1
1 427 . 10 1 1 A 49 49 ILE N N 49 123.100 128.887 -5.787 1
1 428 . 10 1 1 A 49 49 ILE CA C 49 59.573 60.546 -0.973 1
1 429 . 10 1 1 A 49 49 ILE CB C 49 40.504 37.945 2.559 1
1 430 . 10 1 1 A 49 49 ILE C C 49 170.853 175.012 -4.159 1
1 431 . 10 1 1 A 49 49 ILE HA H 49 4.341 4.732 -0.391 1
1 438 . 10 1 1 A 50 50 LYS H H 50 8.511 8.866 -0.355 1
1 439 . 10 1 1 A 50 50 LYS N N 50 125.800 127.798 -1.998 1
1 440 . 10 1 1 A 50 50 LYS CA C 50 51.179 54.223 -3.044 1
1 441 . 10 1 1 A 50 50 LYS CB C 50 34.816 34.893 -0.077 1
1 442 . 10 1 1 A 50 50 LYS C C 50 173.759 176.200 -2.441 1
1 443 . 10 1 1 A 50 50 LYS HA H 50 4.991 4.828 0.163 1
1 451 . 10 1 1 A 51 51 SER H H 51 8.920 9.000 -0.080 1
1 452 . 10 1 1 A 51 51 SER N N 51 117.579 120.102 -2.523 1
1 453 . 10 1 1 A 51 51 SER CA C 51 55.043 59.285 -4.242 1
1 454 . 10 1 1 A 51 51 SER CB C 51 61.065 63.794 -2.729 1
1 455 . 10 1 1 A 51 51 SER C C 51 175.084 174.782 0.302 1
1 456 . 10 1 1 A 51 51 SER HA H 51 4.666 4.585 0.081 1
1 459 . 10 1 1 A 52 52 THR H H 52 8.342 8.329 0.013 1
1 460 . 10 1 1 A 52 52 THR N N 52 123.200 116.990 6.210 1
1 461 . 10 1 1 A 52 52 THR CA C 52 62.792 63.542 -0.750 1
1 462 . 10 1 1 A 52 52 THR CB C 52 65.611 68.930 -3.319 1
1 463 . 10 1 1 A 52 52 THR C C 52 173.566 175.761 -2.195 1
1 464 . 10 1 1 A 52 52 THR HA H 52 3.996 4.217 -0.221 1
1 469 . 10 1 1 A 53 53 GLU H H 53 8.312 8.393 -0.081 1
1 470 . 10 1 1 A 53 53 GLU N N 53 122.000 120.630 1.370 1
1 471 . 10 1 1 A 53 53 GLU CA C 53 55.889 59.087 -3.198 1
1 472 . 10 1 1 A 53 53 GLU CB C 53 28.359 29.740 -1.381 1
1 473 . 10 1 1 A 53 53 GLU C C 53 175.327 177.189 -1.862 1
1 474 . 10 1 1 A 53 53 GLU HA H 53 4.311 4.193 0.118 1
1 477 . 10 1 1 A 54 54 THR H H 54 7.724 7.684 0.040 1
1 478 . 10 1 1 A 54 54 THR N N 54 103.100 110.367 -7.267 1
1 479 . 10 1 1 A 54 54 THR CA C 54 58.555 61.275 -2.720 1
1 480 . 10 1 1 A 54 54 THR CB C 54 69.030 69.071 -0.041 1
1 481 . 10 1 1 A 54 54 THR C C 54 173.942 175.603 -1.661 1
1 482 . 10 1 1 A 54 54 THR HA H 54 4.681 4.642 0.039 1
1 487 . 10 1 1 A 55 55 GLY H H 55 7.643 8.145 -0.502 1
1 488 . 10 1 1 A 55 55 GLY N N 55 110.700 110.947 -0.247 1
1 489 . 10 1 1 A 55 55 GLY CA C 55 43.594 45.826 -2.232 1
1 490 . 10 1 1 A 55 55 GLY HA3 H 55 4.150 4.002 0.148 1
1 491 . 10 1 1 A 55 55 GLY HA2 H 55 3.591 3.989 -0.398 1
1 492 . 10 1 1 A 55 55 GLY C C 55 170.694 174.257 -3.563 1
1 493 . 10 1 1 A 56 56 GLN H H 56 7.211 7.956 -0.745 1
1 494 . 10 1 1 A 56 56 GLN N N 56 115.700 117.243 -1.543 1
1 495 . 10 1 1 A 56 56 GLN CA C 56 53.898 55.715 -1.817 1
1 496 . 10 1 1 A 56 56 GLN CB C 56 30.456 32.350 -1.894 1
1 497 . 10 1 1 A 56 56 GLN C C 56 172.141 173.054 -0.913 1
1 498 . 10 1 1 A 56 56 GLN HA H 56 4.311 4.669 -0.358 1
1 504 . 10 1 1 A 57 57 TYR H H 57 9.254 9.053 0.201 1
1 505 . 10 1 1 A 57 57 TYR N N 57 119.400 128.138 -8.738 1
1 506 . 10 1 1 A 57 57 TYR CA C 57 53.356 55.820 -2.464 1
1 507 . 10 1 1 A 57 57 TYR CB C 57 40.466 38.152 2.314 1
1 508 . 10 1 1 A 57 57 TYR C C 57 173.320 174.068 -0.748 1
1 509 . 10 1 1 A 57 57 TYR HA H 57 4.128 6.617 -2.489 1
1 512 . 10 1 1 A 58 58 LEU H H 58 9.126 8.797 0.329 1
1 513 . 10 1 1 A 58 58 LEU N N 58 123.600 128.493 -4.893 1
1 514 . 10 1 1 A 58 58 LEU CA C 58 53.256 55.435 -2.179 1
1 515 . 10 1 1 A 58 58 LEU CB C 58 40.466 42.063 -1.597 1
1 516 . 10 1 1 A 58 58 LEU C C 58 172.320 175.134 -2.814 1
1 517 . 10 1 1 A 58 58 LEU HA H 58 4.128 4.428 -0.300 1
1 524 . 10 1 1 A 59 59 ALA H H 59 8.656 8.223 0.433 1
1 525 . 10 1 1 A 59 59 ALA N N 59 126.947 128.129 -1.182 1
1 526 . 10 1 1 A 59 59 ALA CA C 59 48.450 50.121 -1.671 1
1 527 . 10 1 1 A 59 59 ALA CB C 59 21.261 19.996 1.265 1
1 528 . 10 1 1 A 59 59 ALA C C 59 172.722 175.265 -2.543 1
1 529 . 10 1 1 A 59 59 ALA HA H 59 5.124 4.663 0.461 1
1 533 . 10 1 1 A 60 60 MET H H 60 7.521 9.043 -1.522 1
1 534 . 10 1 1 A 60 60 MET N N 60 116.602 125.593 -8.991 1
1 535 . 10 1 1 A 60 60 MET CA C 60 52.251 55.055 -2.804 1
1 536 . 10 1 1 A 60 60 MET CB C 60 35.046 33.728 1.318 1
1 537 . 10 1 1 A 60 60 MET C C 60 173.753 174.912 -1.159 1
1 538 . 10 1 1 A 60 60 MET HA H 60 5.527 4.751 0.776 1
1 543 . 10 1 1 A 61 61 ASP H H 61 9.159 8.955 0.204 1
1 544 . 10 1 1 A 61 61 ASP N N 61 128.445 127.448 0.997 1
1 545 . 10 1 1 A 61 61 ASP CA C 61 51.480 52.549 -1.069 1
1 546 . 10 1 1 A 61 61 ASP CB C 61 39.346 41.575 -2.229 1
1 547 . 10 1 1 A 61 61 ASP C C 61 175.800 176.256 -0.456 1
1 548 . 10 1 1 A 61 61 ASP HA H 61 5.046 4.919 0.127 1
1 551 . 10 1 1 A 62 62 THR H H 62 7.972 9.096 -1.124 1
1 552 . 10 1 1 A 62 62 THR N N 62 107.806 120.972 -13.166 1
1 553 . 10 1 1 A 62 62 THR CA C 62 62.626 64.132 -1.506 1
1 554 . 10 1 1 A 62 62 THR CB C 62 66.955 68.826 -1.871 1
1 555 . 10 1 1 A 62 62 THR C C 62 172.355 173.394 -1.039 1
1 556 . 10 1 1 A 62 62 THR HA H 62 4.134 4.343 -0.209 1
1 561 . 10 1 1 A 63 63 ASP H H 63 8.333 8.557 -0.224 1
1 562 . 10 1 1 A 63 63 ASP N N 63 119.831 121.530 -1.699 1
1 563 . 10 1 1 A 63 63 ASP CA C 63 51.865 53.735 -1.870 1
1 564 . 10 1 1 A 63 63 ASP CB C 63 39.182 42.742 -3.560 1
1 565 . 10 1 1 A 63 63 ASP C C 63 174.438 177.582 -3.144 1
1 566 . 10 1 1 A 63 63 ASP HA H 63 4.964 5.003 -0.039 1
1 569 . 10 1 1 A 64 64 GLY H H 64 8.264 8.194 0.070 1
1 570 . 10 1 1 A 64 64 GLY N N 64 109.142 108.578 0.564 1
1 571 . 10 1 1 A 64 64 GLY CA C 64 42.923 45.598 -2.675 1
1 572 . 10 1 1 A 64 64 GLY C C 64 171.248 173.802 -2.554 1
1 573 . 10 1 1 A 64 64 GLY HA3 H 64 3.652 4.043 -0.391 1
1 574 . 10 1 1 A 64 64 GLY HA2 H 64 3.397 3.921 -0.524 1
1 575 . 10 1 1 A 65 65 LEU H H 65 8.636 7.230 1.406 1
1 576 . 10 1 1 A 65 65 LEU N N 65 123.137 120.203 2.934 1
1 577 . 10 1 1 A 65 65 LEU CA C 65 52.224 53.659 -1.435 1
1 578 . 10 1 1 A 65 65 LEU CB C 65 40.557 45.999 -5.442 1
1 579 . 10 1 1 A 65 65 LEU C C 65 174.507 175.429 -0.922 1
1 580 . 10 1 1 A 65 65 LEU HA H 65 4.529 5.074 -0.545 1
1 590 . 10 1 1 A 66 66 LEU H H 66 7.431 9.525 -2.094 1
1 591 . 10 1 1 A 66 66 LEU N N 66 124.493 123.630 0.863 1
1 592 . 10 1 1 A 66 66 LEU CA C 66 51.635 53.576 -1.941 1
1 593 . 10 1 1 A 66 66 LEU CB C 66 40.474 44.294 -3.820 1
1 594 . 10 1 1 A 66 66 LEU C C 66 174.070 175.749 -1.679 1
1 595 . 10 1 1 A 66 66 LEU HA H 66 5.714 5.316 0.398 1
1 605 . 10 1 1 A 67 67 TYR H H 67 9.237 8.559 0.678 1
1 606 . 10 1 1 A 67 67 TYR N N 67 120.360 118.152 2.208 1
1 607 . 10 1 1 A 67 67 TYR CA C 67 54.076 55.169 -1.093 1
1 608 . 10 1 1 A 67 67 TYR CB C 67 38.903 42.297 -3.394 1
1 609 . 10 1 1 A 67 67 TYR C C 67 169.640 173.961 -4.321 1
1 610 . 10 1 1 A 67 67 TYR HA H 67 5.023 6.087 -1.064 1
1 612 . 10 1 1 A 68 68 GLY H H 68 8.928 8.498 0.430 1
1 613 . 10 1 1 A 68 68 GLY N N 68 105.646 106.534 -0.888 1
1 614 . 10 1 1 A 68 68 GLY CA C 68 41.569 45.931 -4.362 1
1 615 . 10 1 1 A 68 68 GLY C C 68 170.551 173.572 -3.021 1
1 616 . 10 1 1 A 68 68 GLY HA2 H 68 4.676 4.339 0.337 1
1 617 . 10 1 1 A 69 69 SER H H 69 9.608 9.190 0.418 1
1 618 . 10 1 1 A 69 69 SER N N 69 120.100 116.852 3.248 1
1 619 . 10 1 1 A 69 69 SER CA C 69 53.737 59.556 -5.819 1
1 620 . 10 1 1 A 69 69 SER CB C 69 63.042 65.834 -2.792 1
1 621 . 10 1 1 A 69 69 SER C C 69 174.219 175.097 -0.878 1
1 622 . 10 1 1 A 69 69 SER HA H 69 4.966 4.830 0.136 1
1 625 . 10 1 1 A 70 70 GLN H H 70 9.343 8.149 1.194 1
1 626 . 10 1 1 A 70 70 GLN N N 70 127.339 120.150 7.189 1
1 627 . 10 1 1 A 70 70 GLN CA C 70 56.139 57.933 -1.794 1
1 628 . 10 1 1 A 70 70 GLN CB C 70 27.092 29.924 -2.832 1
1 629 . 10 1 1 A 70 70 GLN C C 70 173.241 175.052 -1.811 1
1 630 . 10 1 1 A 70 70 GLN HA H 70 4.286 4.207 0.079 1
1 638 . 10 1 1 A 71 71 THR H H 71 7.532 7.806 -0.274 1
1 639 . 10 1 1 A 71 71 THR N N 71 108.100 111.311 -3.211 1
1 640 . 10 1 1 A 71 71 THR CA C 71 55.203 59.609 -4.406 1
1 641 . 10 1 1 A 71 71 THR HA H 71 4.780 4.884 -0.104 1
1 643 . 10 1 1 A 72 72 PRO CA C 72 60.050 62.290 -2.240 1
1 644 . 10 1 1 A 72 72 PRO CB C 72 26.678 31.212 -4.534 1
1 645 . 10 1 1 A 72 72 PRO C C 72 172.920 176.399 -3.479 1
1 646 . 10 1 1 A 72 72 PRO HA H 72 4.173 5.142 -0.969 1
1 649 . 10 1 1 A 73 73 ASN H H 73 7.321 9.061 -1.740 1
1 650 . 10 1 1 A 73 73 ASN N N 73 119.200 121.744 -2.544 1
1 651 . 10 1 1 A 73 73 ASN CA C 73 49.994 52.414 -2.420 1
1 652 . 10 1 1 A 74 74 GLU H H 74 9.030 8.744 0.286 1
1 653 . 10 1 1 A 74 74 GLU CA C 74 57.131 55.037 2.094 1
1 654 . 10 1 1 A 74 74 GLU CB C 74 27.005 29.705 -2.700 1
1 655 . 10 1 1 A 74 74 GLU C C 74 176.352 175.900 0.452 1
1 656 . 10 1 1 A 74 74 GLU HA H 74 4.130 4.506 -0.376 1
1 661 . 10 1 1 A 75 75 GLU H H 75 8.574 8.647 -0.073 1
1 662 . 10 1 1 A 75 75 GLU N N 75 119.200 123.900 -4.700 1
1 663 . 10 1 1 A 75 75 GLU CA C 75 56.343 56.542 -0.199 1
1 664 . 10 1 1 A 75 75 GLU CB C 75 26.028 31.696 -5.668 1
1 665 . 10 1 1 A 75 75 GLU C C 75 173.866 176.935 -3.069 1
1 666 . 10 1 1 A 75 75 GLU HA H 75 4.206 4.443 -0.237 1
1 671 . 10 1 1 A 76 76 CYS H H 76 7.727 7.439 0.288 1
1 672 . 10 1 1 A 76 76 CYS N N 76 113.800 117.040 -3.240 1
1 673 . 10 1 1 A 76 76 CYS CA C 76 55.635 59.352 -3.717 1
1 674 . 10 1 1 A 76 76 CYS CB C 76 26.036 27.296 -1.260 1
1 675 . 10 1 1 A 76 76 CYS C C 76 170.849 174.218 -3.369 1
1 676 . 10 1 1 A 76 76 CYS HA H 76 5.426 3.883 1.543 1
1 679 . 10 1 1 A 77 77 LEU H H 77 6.241 6.915 -0.674 1
1 680 . 10 1 1 A 77 77 LEU N N 77 118.069 123.489 -5.420 1
1 681 . 10 1 1 A 77 77 LEU CA C 77 51.793 54.902 -3.109 1
1 682 . 10 1 1 A 77 77 LEU CB C 77 42.123 41.741 0.382 1
1 683 . 10 1 1 A 77 77 LEU C C 77 173.882 176.101 -2.219 1
1 684 . 10 1 1 A 77 77 LEU HA H 77 4.555 3.705 0.850 1
1 694 . 10 1 1 A 78 78 PHE H H 78 9.067 8.498 0.569 1
1 695 . 10 1 1 A 78 78 PHE N N 78 122.377 123.247 -0.870 1
1 696 . 10 1 1 A 78 78 PHE CA C 78 54.917 56.263 -1.346 1
1 697 . 10 1 1 A 78 78 PHE CB C 78 40.597 43.910 -3.313 1
1 698 . 10 1 1 A 78 78 PHE C C 78 171.853 174.578 -2.725 1
1 699 . 10 1 1 A 78 78 PHE HA H 78 5.169 5.062 0.107 1
1 702 . 10 1 1 A 79 79 LEU H H 79 9.958 8.928 1.030 1
1 703 . 10 1 1 A 79 79 LEU N N 79 122.126 123.077 -0.951 1
1 704 . 10 1 1 A 79 79 LEU CA C 79 51.232 54.238 -3.006 1
1 705 . 10 1 1 A 79 79 LEU CB C 79 38.511 44.575 -6.064 1
1 706 . 10 1 1 A 79 79 LEU C C 79 173.055 175.412 -2.357 1
1 707 . 10 1 1 A 79 79 LEU HA H 79 4.686 5.081 -0.395 1
1 713 . 10 1 1 A 80 80 GLU H H 80 8.347 9.252 -0.905 1
1 714 . 10 1 1 A 80 80 GLU N N 80 126.300 127.805 -1.505 1
1 715 . 10 1 1 A 80 80 GLU CA C 80 52.558 55.205 -2.647 1
1 716 . 10 1 1 A 80 80 GLU CB C 80 30.892 31.648 -0.756 1
1 717 . 10 1 1 A 80 80 GLU C C 80 173.355 175.294 -1.939 1
1 718 . 10 1 1 A 80 80 GLU HA H 80 4.832 5.161 -0.329 1
1 721 . 10 1 1 A 81 81 ARG H H 81 8.840 8.754 0.086 1
1 722 . 10 1 1 A 81 81 ARG N N 81 129.522 129.827 -0.305 1
1 723 . 10 1 1 A 81 81 ARG CA C 81 52.288 54.349 -2.061 1
1 724 . 10 1 1 A 81 81 ARG CB C 81 38.588 33.817 4.771 1
1 725 . 10 1 1 A 81 81 ARG C C 81 172.258 174.445 -2.187 1
1 726 . 10 1 1 A 81 81 ARG HA H 81 4.659 5.066 -0.407 1
1 732 . 10 1 1 A 82 82 LEU H H 82 8.347 8.927 -0.580 1
1 733 . 10 1 1 A 82 82 LEU N N 82 125.700 128.521 -2.821 1
1 734 . 10 1 1 A 82 82 LEU CA C 82 52.631 53.611 -0.980 1
1 735 . 10 1 1 A 82 82 LEU CB C 82 40.304 43.250 -2.946 1
1 736 . 10 1 1 A 82 82 LEU C C 82 174.567 176.084 -1.517 1
1 737 . 10 1 1 A 82 82 LEU HA H 82 4.875 5.016 -0.141 1
1 744 . 10 1 1 A 83 83 GLU H H 83 9.064 8.917 0.147 1
1 745 . 10 1 1 A 83 83 GLU N N 83 125.600 125.358 0.242 1
1 746 . 10 1 1 A 83 83 GLU CA C 83 51.723 56.381 -4.658 1
1 747 . 10 1 1 A 83 83 GLU CB C 83 43.703 31.205 12.498 1
1 748 . 10 1 1 A 83 83 GLU C C 83 174.885 177.443 -2.558 1
1 749 . 10 1 1 A 83 83 GLU HA H 83 4.974 4.497 0.477 1
1 752 . 10 1 1 A 84 84 GLU H H 84 8.806 9.038 -0.232 1
1 753 . 10 1 1 A 84 84 GLU N N 84 120.300 124.780 -4.480 1
1 754 . 10 1 1 A 84 84 GLU CA C 84 55.553 57.178 -1.625 1
1 755 . 10 1 1 A 84 84 GLU CB C 84 27.117 29.937 -2.820 1
1 756 . 10 1 1 A 84 84 GLU C C 84 174.261 177.676 -3.415 1
1 757 . 10 1 1 A 84 84 GLU HA H 84 4.112 4.464 -0.352 1
1 761 . 10 1 1 A 85 85 ASN H H 85 8.429 8.041 0.388 1
1 762 . 10 1 1 A 85 85 ASN N N 85 114.800 116.509 -1.709 1
1 763 . 10 1 1 A 85 85 ASN CA C 85 51.788 52.893 -1.105 1
1 764 . 10 1 1 A 85 85 ASN CB C 85 35.301 38.610 -3.309 1
1 765 . 10 1 1 A 85 85 ASN C C 85 172.203 173.926 -1.723 1
1 766 . 10 1 1 A 85 85 ASN HA H 85 4.343 4.917 -0.574 1
1 769 . 10 1 1 A 86 86 HIS H H 86 8.081 8.112 -0.031 1
1 770 . 10 1 1 A 86 86 HIS N N 86 108.737 114.259 -5.522 1
1 771 . 10 1 1 A 86 86 HIS CA C 86 55.255 56.614 -1.359 1
1 772 . 10 1 1 A 86 86 HIS CB C 86 24.858 26.512 -1.654 1
1 773 . 10 1 1 A 86 86 HIS C C 86 171.039 173.358 -2.319 1
1 774 . 10 1 1 A 86 86 HIS HA H 86 4.260 4.096 0.164 1
1 777 . 10 1 1 A 87 87 TYR H H 87 7.592 7.828 -0.236 1
1 778 . 10 1 1 A 87 87 TYR N N 87 117.738 117.313 0.425 1
1 779 . 10 1 1 A 87 87 TYR CA C 87 56.163 56.771 -0.608 1
1 780 . 10 1 1 A 87 87 TYR CB C 87 38.643 42.759 -4.116 1
1 781 . 10 1 1 A 87 87 TYR C C 87 171.983 174.306 -2.323 1
1 782 . 10 1 1 A 87 87 TYR HA H 87 4.836 5.107 -0.271 1
1 784 . 10 1 1 A 88 88 ASN H H 88 9.840 9.116 0.724 1
1 785 . 10 1 1 A 88 88 ASN N N 88 118.891 121.669 -2.778 1
1 786 . 10 1 1 A 88 88 ASN CA C 88 50.063 52.061 -1.998 1
1 787 . 10 1 1 A 88 88 ASN CB C 88 40.242 41.102 -0.860 1
1 788 . 10 1 1 A 88 88 ASN C C 88 172.471 174.254 -1.783 1
1 789 . 10 1 1 A 88 88 ASN HA H 88 5.837 5.424 0.413 1
1 795 . 10 1 1 A 89 89 THR H H 89 8.380 8.964 -0.584 1
1 796 . 10 1 1 A 89 89 THR N N 89 108.521 118.537 -10.016 1
1 797 . 10 1 1 A 89 89 THR CA C 89 57.357 60.517 -3.160 1
1 798 . 10 1 1 A 89 89 THR CB C 89 70.868 72.678 -1.810 1
1 799 . 10 1 1 A 89 89 THR C C 89 170.548 172.539 -1.991 1
1 800 . 10 1 1 A 89 89 THR HA H 89 5.127 5.564 -0.437 1
1 805 . 10 1 1 A 90 90 TYR H H 90 10.247 9.193 1.054 1
1 806 . 10 1 1 A 90 90 TYR N N 90 119.000 122.255 -3.255 1
1 807 . 10 1 1 A 90 90 TYR CA C 90 55.106 56.091 -0.985 1
1 808 . 10 1 1 A 90 90 TYR CB C 90 39.047 41.774 -2.727 1
1 809 . 10 1 1 A 90 90 TYR C C 90 172.442 174.521 -2.079 1
1 810 . 10 1 1 A 90 90 TYR HA H 90 5.472 5.364 0.108 1
1 812 . 10 1 1 A 91 91 ILE H H 91 8.781 9.173 -0.392 1
1 813 . 10 1 1 A 91 91 ILE N N 91 122.546 124.119 -1.573 1
1 814 . 10 1 1 A 91 91 ILE CA C 91 56.346 59.593 -3.247 1
1 815 . 10 1 1 A 91 91 ILE CB C 91 36.627 40.108 -3.481 1
1 816 . 10 1 1 A 91 91 ILE C C 91 172.924 174.986 -2.062 1
1 817 . 10 1 1 A 91 91 ILE HA H 91 4.673 4.860 -0.187 1
1 826 . 10 1 1 A 92 92 SER H H 92 8.191 8.359 -0.168 1
1 827 . 10 1 1 A 92 92 SER N N 92 120.200 119.173 1.027 1
1 828 . 10 1 1 A 92 92 SER CA C 92 55.781 57.471 -1.690 1
1 829 . 10 1 1 A 92 92 SER CB C 92 62.382 63.512 -1.130 1
1 830 . 10 1 1 A 92 92 SER C C 92 172.863 174.814 -1.951 1
1 831 . 10 1 1 A 92 92 SER HA H 92 4.016 5.211 -1.195 1
1 833 . 10 1 1 A 93 93 LYS H H 93 7.993 9.059 -1.066 1
1 834 . 10 1 1 A 93 93 LYS N N 93 130.618 126.111 4.507 1
1 835 . 10 1 1 A 93 93 LYS CA C 93 57.942 58.513 -0.571 1
1 836 . 10 1 1 A 93 93 LYS CB C 93 30.889 32.330 -1.441 1
1 837 . 10 1 1 A 93 93 LYS C C 93 176.938 177.905 -0.967 1
1 838 . 10 1 1 A 93 93 LYS HA H 93 3.779 4.151 -0.372 1
1 844 . 10 1 1 A 94 94 LYS H H 94 8.616 7.870 0.746 1
1 845 . 10 1 1 A 94 94 LYS N N 94 120.044 119.717 0.327 1
1 846 . 10 1 1 A 94 94 LYS CA C 94 55.868 58.934 -3.066 1
1 847 . 10 1 1 A 94 94 LYS CB C 94 30.329 32.818 -2.489 1
1 848 . 10 1 1 A 94 94 LYS C C 94 174.491 177.702 -3.211 1
1 849 . 10 1 1 A 94 94 LYS HA H 94 3.851 4.047 -0.196 1
1 856 . 10 1 1 A 95 95 HIS H H 95 7.249 8.581 -1.332 1
1 857 . 10 1 1 A 95 95 HIS N N 95 114.486 116.235 -1.749 1
1 858 . 10 1 1 A 95 95 HIS CA C 95 51.180 54.369 -3.189 1
1 859 . 10 1 1 A 95 95 HIS CB C 95 26.844 28.062 -1.218 1
1 860 . 10 1 1 A 95 95 HIS C C 95 173.734 175.810 -2.076 1
1 861 . 10 1 1 A 95 95 HIS HA H 95 4.604 4.720 -0.116 1
1 864 . 10 1 1 A 96 96 ALA H H 96 7.104 7.820 -0.716 1
1 865 . 10 1 1 A 96 96 ALA N N 96 125.204 124.146 1.058 1
1 866 . 10 1 1 A 96 96 ALA CA C 96 53.758 55.381 -1.623 1
1 867 . 10 1 1 A 96 96 ALA CB C 96 16.578 18.478 -1.900 1
1 868 . 10 1 1 A 96 96 ALA C C 96 178.508 180.029 -1.521 1
1 869 . 10 1 1 A 96 96 ALA HA H 96 4.131 3.855 0.276 1
1 873 . 10 1 1 A 97 97 GLU H H 97 8.857 7.867 0.990 1
1 874 . 10 1 1 A 97 97 GLU N N 97 118.007 118.440 -0.433 1
1 875 . 10 1 1 A 97 97 GLU CA C 97 56.153 58.512 -2.359 1
1 876 . 10 1 1 A 97 97 GLU CB C 97 26.241 29.153 -2.912 1
1 877 . 10 1 1 A 97 97 GLU C C 97 174.813 178.221 -3.408 1
1 878 . 10 1 1 A 97 97 GLU HA H 97 4.063 4.044 0.019 1
1 882 . 10 1 1 A 98 98 LYS H H 98 7.116 7.467 -0.351 1
1 883 . 10 1 1 A 98 98 LYS N N 98 116.241 119.240 -2.999 1
1 884 . 10 1 1 A 98 98 LYS CA C 98 52.852 56.510 -3.658 1
1 885 . 10 1 1 A 98 98 LYS CB C 98 29.959 32.863 -2.904 1
1 886 . 10 1 1 A 98 98 LYS C C 98 173.361 176.117 -2.756 1
1 887 . 10 1 1 A 98 98 LYS HA H 98 4.280 4.359 -0.079 1
1 893 . 10 1 1 A 99 99 ASN H H 99 7.842 7.940 -0.098 1
1 894 . 10 1 1 A 99 99 ASN N N 99 113.000 115.125 -2.125 1
1 895 . 10 1 1 A 99 99 ASN CA C 99 52.240 54.742 -2.502 1
1 896 . 10 1 1 A 99 99 ASN CB C 99 35.289 37.070 -1.781 1
1 897 . 10 1 1 A 99 99 ASN C C 99 170.506 174.500 -3.994 1
1 898 . 10 1 1 A 99 99 ASN HA H 99 3.772 4.333 -0.561 1
1 904 . 10 1 1 A 100 100 TRP H H 100 6.369 7.367 -0.998 1
1 905 . 10 1 1 A 100 100 TRP N N 100 116.000 119.746 -3.746 1
1 906 . 10 1 1 A 100 100 TRP CA C 100 53.179 57.434 -4.255 1
1 907 . 10 1 1 A 100 100 TRP CB C 100 28.228 30.252 -2.024 1
1 908 . 10 1 1 A 100 100 TRP C C 100 171.701 176.050 -4.349 1
1 909 . 10 1 1 A 100 100 TRP HA H 100 4.816 4.810 0.006 1
1 912 . 10 1 1 A 101 101 PHE H H 101 8.026 9.044 -1.018 1
1 913 . 10 1 1 A 101 101 PHE N N 101 124.185 119.257 4.928 1
1 914 . 10 1 1 A 101 101 PHE CA C 101 55.472 56.222 -0.750 1
1 915 . 10 1 1 A 101 101 PHE CB C 101 39.220 42.118 -2.898 1
1 916 . 10 1 1 A 101 101 PHE C C 101 175.044 174.825 0.219 1
1 917 . 10 1 1 A 101 101 PHE HA H 101 5.373 5.177 0.196 1
1 920 . 10 1 1 A 102 102 VAL H H 102 8.499 8.287 0.212 1
1 921 . 10 1 1 A 102 102 VAL N N 102 120.282 123.090 -2.808 1
1 922 . 10 1 1 A 102 102 VAL CA C 102 60.975 61.319 -0.344 1
1 923 . 10 1 1 A 102 102 VAL CB C 102 30.243 32.058 -1.815 1
1 924 . 10 1 1 A 102 102 VAL C C 102 174.220 175.117 -0.897 1
1 925 . 10 1 1 A 102 102 VAL HA H 102 3.939 4.567 -0.628 1
1 930 . 10 1 1 A 103 103 GLY H H 103 8.996 8.684 0.312 1
1 931 . 10 1 1 A 103 103 GLY N N 103 114.668 115.435 -0.767 1
1 932 . 10 1 1 A 103 103 GLY CA C 103 43.802 44.355 -0.553 1
1 933 . 10 1 1 A 103 103 GLY C C 103 169.388 172.801 -3.413 1
1 934 . 10 1 1 A 103 103 GLY HA2 H 103 5.275 4.488 0.787 1
1 935 . 10 1 1 A 103 103 GLY HA3 H 103 3.180 4.756 -1.576 1
1 936 . 10 1 1 A 104 104 LEU H H 104 8.118 8.354 -0.236 1
1 937 . 10 1 1 A 104 104 LEU N N 104 119.100 118.446 0.654 1
1 938 . 10 1 1 A 104 104 LEU CA C 104 51.207 52.375 -1.168 1
1 939 . 10 1 1 A 104 104 LEU CB C 104 43.579 46.139 -2.560 1
1 940 . 10 1 1 A 104 104 LEU C C 104 174.252 175.414 -1.162 1
1 941 . 10 1 1 A 104 104 LEU HA H 104 4.959 5.220 -0.261 1
1 950 . 10 1 1 A 105 105 LYS H H 105 8.847 8.217 0.630 1
1 951 . 10 1 1 A 105 105 LYS N N 105 118.900 119.713 -0.813 1
1 952 . 10 1 1 A 105 105 LYS CA C 105 54.035 54.916 -0.881 1
1 953 . 10 1 1 A 105 105 LYS C C 105 176.404 176.869 -0.465 1
1 954 . 10 1 1 A 105 105 LYS HA H 105 4.215 4.640 -0.425 1
1 960 . 10 1 1 A 106 106 LYS H H 106 8.980 8.507 0.473 1
1 961 . 10 1 1 A 106 106 LYS N N 106 122.172 123.742 -1.570 1
1 962 . 10 1 1 A 106 106 LYS CA C 106 57.672 58.832 -1.160 1
1 963 . 10 1 1 A 106 106 LYS CB C 106 29.780 31.919 -2.139 1
1 964 . 10 1 1 A 106 106 LYS C C 106 174.499 177.674 -3.175 1
1 965 . 10 1 1 A 106 106 LYS HA H 106 3.624 4.026 -0.402 1
1 970 . 10 1 1 A 107 107 ASN H H 107 7.352 8.676 -1.324 1
1 971 . 10 1 1 A 107 107 ASN N N 107 112.743 117.209 -4.466 1
1 972 . 10 1 1 A 107 107 ASN CA C 107 49.523 54.108 -4.585 1
1 973 . 10 1 1 A 107 107 ASN CB C 107 35.121 36.701 -1.580 1
1 974 . 10 1 1 A 107 107 ASN C C 107 174.511 175.451 -0.940 1
1 975 . 10 1 1 A 107 107 ASN HA H 107 4.678 4.249 0.429 1
1 978 . 10 1 1 A 108 108 GLY H H 108 7.656 7.722 -0.066 1
1 979 . 10 1 1 A 108 108 GLY N N 108 109.900 109.070 0.830 1
1 980 . 10 1 1 A 108 108 GLY CA C 108 42.207 45.620 -3.413 1
1 981 . 10 1 1 A 108 108 GLY C C 108 169.305 173.689 -4.384 1
1 982 . 10 1 1 A 108 108 GLY HA3 H 108 3.358 3.950 -0.592 1
1 983 . 10 1 1 A 108 108 GLY HA2 H 108 2.111 3.892 -1.781 1
1 984 . 10 1 1 A 109 109 SER H H 109 7.280 7.948 -0.668 1
1 985 . 10 1 1 A 109 109 SER N N 109 112.357 112.484 -0.127 1
1 986 . 10 1 1 A 109 109 SER CA C 109 55.139 56.916 -1.777 1
1 987 . 10 1 1 A 109 109 SER CB C 109 62.749 66.530 -3.781 1
1 988 . 10 1 1 A 109 109 SER C C 109 171.244 172.481 -1.237 1
1 989 . 10 1 1 A 109 109 SER HA H 109 4.755 5.311 -0.556 1
1 992 . 10 1 1 A 110 110 CYS H H 110 9.070 8.725 0.345 1
1 993 . 10 1 1 A 110 110 CYS N N 110 119.883 120.598 -0.715 1
1 994 . 10 1 1 A 110 110 CYS CA C 110 57.858 58.759 -0.901 1
1 995 . 10 1 1 A 110 110 CYS CB C 110 37.322 28.305 9.017 1
1 996 . 10 1 1 A 110 110 CYS C C 110 172.131 174.963 -2.832 1
1 997 . 10 1 1 A 110 110 CYS HA H 110 4.296 4.849 -0.553 1
1 1000 . 10 1 1 A 111 111 LYS H H 111 8.095 8.161 -0.066 1
1 1001 . 10 1 1 A 111 111 LYS N N 111 128.642 124.481 4.161 1
1 1002 . 10 1 1 A 111 111 LYS CA C 111 52.117 57.132 -5.015 1
1 1003 . 10 1 1 A 111 111 LYS CB C 111 30.980 33.410 -2.430 1
1 1004 . 10 1 1 A 111 111 LYS C C 111 172.265 176.469 -4.204 1
1 1005 . 10 1 1 A 111 111 LYS HA H 111 4.380 4.445 -0.065 1
1 1010 . 10 1 1 A 112 112 ARG H H 112 8.566 8.746 -0.180 1
1 1011 . 10 1 1 A 112 112 ARG N N 112 124.700 121.176 3.524 1
1 1012 . 10 1 1 A 112 112 ARG CA C 112 54.295 54.552 -0.257 1
1 1013 . 10 1 1 A 112 112 ARG CB C 112 28.927 33.570 -4.643 1
1 1014 . 10 1 1 A 112 112 ARG C C 112 175.240 176.325 -1.085 1
1 1015 . 10 1 1 A 112 112 ARG HA H 112 4.252 4.941 -0.689 1
1 1021 . 10 1 1 A 113 113 GLY H H 113 9.408 9.649 -0.241 1
1 1022 . 10 1 1 A 113 113 GLY N N 113 106.636 108.337 -1.701 1
1 1023 . 10 1 1 A 113 113 GLY CA C 113 44.552 47.505 -2.953 1
1 1024 . 10 1 1 A 113 113 GLY C C 113 169.610 175.139 -5.529 1
1 1025 . 10 1 1 A 113 113 GLY HA2 H 113 1.510 3.644 -2.134 1
1 1026 . 10 1 1 A 114 114 PRO CA C 114 62.529 65.053 -2.524 1
1 1027 . 10 1 1 A 114 114 PRO C C 114 174.543 176.831 -2.288 1
1 1028 . 10 1 1 A 114 114 PRO HA H 114 4.321 4.144 0.177 1
1 1033 . 10 1 1 A 115 115 ARG H H 115 8.067 7.647 0.420 1
1 1034 . 10 1 1 A 115 115 ARG N N 115 114.500 116.819 -2.319 1
1 1035 . 10 1 1 A 115 115 ARG CA C 115 52.011 55.298 -3.287 1
1 1036 . 10 1 1 A 115 115 ARG CB C 115 27.143 30.805 -3.662 1
1 1037 . 10 1 1 A 115 115 ARG C C 115 174.680 175.586 -0.906 1
1 1038 . 10 1 1 A 115 115 ARG HA H 115 4.508 4.457 0.051 1
1 1043 . 10 1 1 A 116 116 THR H H 116 7.643 7.521 0.122 1
1 1044 . 10 1 1 A 116 116 THR N N 116 111.716 112.970 -1.254 1
1 1045 . 10 1 1 A 116 116 THR CA C 116 58.712 61.615 -2.903 1
1 1046 . 10 1 1 A 116 116 THR CB C 116 70.086 69.212 0.874 1
1 1047 . 10 1 1 A 116 116 THR C C 116 172.573 174.079 -1.506 1
1 1048 . 10 1 1 A 116 116 THR HA H 116 5.198 4.442 0.756 1
1 1053 . 10 1 1 A 117 117 HIS H H 117 7.091 8.591 -1.500 1
1 1054 . 10 1 1 A 117 117 HIS N N 117 112.914 122.799 -9.885 1
1 1055 . 10 1 1 A 117 117 HIS CA C 117 53.291 55.012 -1.721 1
1 1056 . 10 1 1 A 117 117 HIS CB C 117 29.133 32.176 -3.043 1
1 1057 . 10 1 1 A 117 117 HIS C C 117 170.344 171.834 -1.490 1
1 1058 . 10 1 1 A 117 117 HIS HA H 117 4.868 3.886 0.982 1
1 1061 . 10 1 1 A 118 118 TYR H H 118 9.020 8.710 0.310 1
1 1062 . 10 1 1 A 118 118 TYR N N 118 123.051 122.197 0.854 1
1 1063 . 10 1 1 A 118 118 TYR CA C 118 58.801 56.527 2.274 1
1 1064 . 10 1 1 A 118 118 TYR CB C 118 29.959 37.845 -7.886 1
1 1065 . 10 1 1 A 118 118 TYR C C 118 174.446 175.106 -0.660 1
1 1066 . 10 1 1 A 118 118 TYR HA H 118 3.897 4.539 -0.642 1
1 1069 . 10 1 1 A 119 119 GLY H H 119 7.999 8.702 -0.703 1
1 1070 . 10 1 1 A 119 119 GLY N N 119 116.885 113.006 3.879 1
1 1071 . 10 1 1 A 119 119 GLY CA C 119 42.599 45.714 -3.115 1
1 1072 . 10 1 1 A 119 119 GLY C C 119 172.439 173.339 -0.900 1
1 1073 . 10 1 1 A 119 119 GLY HA3 H 119 4.385 3.899 0.486 1
1 1074 . 10 1 1 A 119 119 GLY HA2 H 119 3.296 3.866 -0.570 1
1 1075 . 10 1 1 A 120 120 GLN H H 120 7.003 7.414 -0.411 1
1 1076 . 10 1 1 A 120 120 GLN N N 120 118.266 118.045 0.221 1
1 1077 . 10 1 1 A 120 120 GLN CA C 120 52.617 53.709 -1.092 1
1 1078 . 10 1 1 A 120 120 GLN CB C 120 27.324 32.150 -4.826 1
1 1079 . 10 1 1 A 120 120 GLN C C 120 174.995 175.517 -0.522 1
1 1080 . 10 1 1 A 120 120 GLN HA H 120 4.262 4.594 -0.332 1
1 1083 . 10 1 1 A 121 121 LYS H H 121 8.477 8.554 -0.077 1
1 1084 . 10 1 1 A 121 121 LYS N N 121 121.222 122.311 -1.089 1
1 1085 . 10 1 1 A 121 121 LYS CA C 121 56.243 57.461 -1.218 1
1 1086 . 10 1 1 A 121 121 LYS CB C 121 29.598 31.785 -2.187 1
1 1087 . 10 1 1 A 121 121 LYS C C 121 172.702 176.942 -4.240 1
1 1088 . 10 1 1 A 121 121 LYS HA H 121 3.809 3.901 -0.092 1
1 1093 . 10 1 1 A 122 122 ALA H H 122 7.526 7.406 0.120 1
1 1094 . 10 1 1 A 122 122 ALA N N 122 116.019 121.129 -5.110 1
1 1095 . 10 1 1 A 122 122 ALA CA C 122 52.338 52.430 -0.092 1
1 1096 . 10 1 1 A 122 122 ALA CB C 122 18.675 18.757 -0.082 1
1 1097 . 10 1 1 A 122 122 ALA C C 122 172.756 177.582 -4.826 1
1 1098 . 10 1 1 A 122 122 ALA HA H 122 3.947 4.511 -0.564 1
1 1102 . 10 1 1 A 123 123 ILE H H 123 5.794 7.004 -1.210 1
1 1103 . 10 1 1 A 123 123 ILE N N 123 101.200 115.655 -14.455 1
1 1104 . 10 1 1 A 123 123 ILE CA C 123 57.297 60.531 -3.234 1
1 1105 . 10 1 1 A 123 123 ILE CB C 123 35.425 37.423 -1.998 1
1 1106 . 10 1 1 A 123 123 ILE C C 123 172.790 174.448 -1.658 1
1 1107 . 10 1 1 A 123 123 ILE HA H 123 5.184 3.582 1.602 1
1 1116 . 10 1 1 A 124 124 LEU H H 124 6.716 6.875 -0.159 1
1 1117 . 10 1 1 A 124 124 LEU N N 124 121.554 122.586 -1.032 1
1 1118 . 10 1 1 A 124 124 LEU CA C 124 51.686 53.159 -1.473 1
1 1119 . 10 1 1 A 124 124 LEU CB C 124 39.622 41.583 -1.961 1
1 1120 . 10 1 1 A 124 124 LEU C C 124 173.411 174.882 -1.471 1
1 1121 . 10 1 1 A 124 124 LEU HA H 124 4.597 4.255 0.342 1
1 1130 . 10 1 1 A 125 125 PHE H H 125 9.226 9.194 0.032 1
1 1131 . 10 1 1 A 125 125 PHE N N 125 121.900 124.345 -2.445 1
1 1132 . 10 1 1 A 125 125 PHE CA C 125 54.604 57.139 -2.535 1
1 1133 . 10 1 1 A 125 125 PHE CB C 125 41.692 41.417 0.275 1
1 1134 . 10 1 1 A 125 125 PHE C C 125 172.768 174.811 -2.043 1
1 1135 . 10 1 1 A 125 125 PHE HA H 125 5.612 5.052 0.560 1
1 1138 . 10 1 1 A 126 126 LEU H H 126 9.932 8.956 0.976 1
1 1139 . 10 1 1 A 126 126 LEU N N 126 125.427 124.570 0.857 1
1 1140 . 10 1 1 A 126 126 LEU CA C 126 48.875 51.486 -2.611 1
1 1141 . 10 1 1 A 127 127 PRO CA C 127 58.907 62.250 -3.343 1
1 1142 . 10 1 1 A 127 127 PRO CB C 127 28.730 32.002 -3.272 1
1 1143 . 10 1 1 A 127 127 PRO C C 127 174.541 176.717 -2.176 1
1 1144 . 10 1 1 A 127 127 PRO HA H 127 5.587 5.304 0.283 1
1 1147 . 10 1 1 A 128 128 LEU H H 128 9.674 8.162 1.512 1
1 1148 . 10 1 1 A 128 128 LEU N N 128 129.196 118.418 10.778 1
1 1149 . 10 1 1 A 128 128 LEU CA C 128 49.523 51.218 -1.695 1
1 1150 . 10 1 1 A 128 128 LEU C C 128 175.960 175.821 0.139 1
1 1151 . 10 1 1 A 129 129 PRO CA C 129 60.043 62.174 -2.131 1
1 1152 . 10 1 1 A 129 129 PRO CB C 129 29.800 32.274 -2.474 1
1 1153 . 10 1 1 A 129 129 PRO C C 129 174.414 176.309 -1.895 1
1 1154 . 10 1 1 A 129 129 PRO HA H 129 4.710 4.949 -0.239 1
1 1160 . 10 1 1 A 130 130 VAL H H 130 7.992 8.545 -0.553 1
1 1161 . 10 1 1 A 130 130 VAL N N 130 118.275 121.326 -3.051 1
1 1162 . 10 1 1 A 130 130 VAL CA C 130 61.494 62.475 -0.981 1
1 1163 . 10 1 1 A 130 130 VAL CB C 130 29.649 32.231 -2.582 1
1 1164 . 10 1 1 A 130 130 VAL C C 130 174.097 176.290 -2.193 1
1 1165 . 10 1 1 A 130 130 VAL HA H 130 3.794 4.178 -0.384 1
1 1173 . 10 1 1 A 131 131 SER H H 131 7.844 8.647 -0.803 1
1 1174 . 10 1 1 A 131 131 SER N N 131 115.853 122.690 -6.837 1
1 1175 . 10 1 1 A 131 131 SER CA C 131 55.233 59.033 -3.800 1
1 1176 . 10 1 1 A 131 131 SER CB C 131 61.375 63.688 -2.313 1
1 1177 . 10 1 1 A 131 131 SER C C 131 173.574 173.910 -0.336 1
1 1178 . 10 1 1 A 131 131 SER HA H 131 4.218 4.876 -0.658 1
1 1181 . 10 1 1 A 132 132 SER H H 132 8.196 9.025 -0.829 1
1 1182 . 10 1 1 A 132 132 SER N N 132 118.100 120.870 -2.770 1
1 1183 . 10 1 1 A 132 132 SER CA C 132 56.021 57.010 -0.989 1
1 1184 . 10 1 1 A 132 132 SER CB C 132 61.848 63.557 -1.709 1
1 1185 . 10 1 1 A 132 132 SER C C 132 170.997 172.229 -1.232 1
1 1186 . 10 1 1 A 132 132 SER HA H 132 4.484 4.770 -0.286 1
1 12 . 11 1 1 A 2 2 LYS H H 2 7.955 7.553 0.402 1
1 13 . 11 1 1 A 2 2 LYS N N 2 120.000 117.002 2.998 1
1 14 . 11 1 1 A 2 2 LYS CA C 2 51.913 55.484 -3.571 1
1 15 . 11 1 1 A 2 2 LYS C C 2 174.300 175.712 -1.412 1
1 16 . 11 1 1 A 2 2 LYS HA H 2 4.270 4.715 -0.445 1
1 18 . 11 1 1 A 3 3 LYS H H 3 7.960 8.951 -0.991 1
1 19 . 11 1 1 A 3 3 LYS N N 3 119.640 119.669 -0.029 1
1 20 . 11 1 1 A 3 3 LYS CA C 3 51.900 56.967 -5.067 1
1 21 . 11 1 1 A 3 3 LYS HA H 3 4.600 4.504 0.096 1
1 24 . 11 1 1 A 4 4 PRO CA C 4 60.687 62.407 -1.720 1
1 25 . 11 1 1 A 4 4 PRO C C 4 172.359 176.493 -4.134 1
1 26 . 11 1 1 A 4 4 PRO CB C 4 30.627 32.522 -1.895 1
1 27 . 11 1 1 A 4 4 PRO HA H 4 4.716 4.753 -0.037 1
1 29 . 11 1 1 A 5 5 LYS H H 5 9.357 8.908 0.449 1
1 30 . 11 1 1 A 5 5 LYS N N 5 119.100 121.381 -2.281 1
1 31 . 11 1 1 A 5 5 LYS CA C 5 51.445 54.953 -3.508 1
1 32 . 11 1 1 A 5 5 LYS CB C 5 34.945 34.218 0.727 1
1 33 . 11 1 1 A 5 5 LYS C C 5 171.776 175.398 -3.622 1
1 34 . 11 1 1 A 5 5 LYS HA H 5 5.062 4.774 0.288 1
1 37 . 11 1 1 A 6 6 LEU H H 6 8.944 9.051 -0.107 1
1 38 . 11 1 1 A 6 6 LEU N N 6 117.400 123.190 -5.790 1
1 39 . 11 1 1 A 6 6 LEU CA C 6 50.259 53.566 -3.307 1
1 40 . 11 1 1 A 6 6 LEU CB C 6 41.472 44.665 -3.193 1
1 41 . 11 1 1 A 6 6 LEU C C 6 174.676 175.690 -1.014 1
1 42 . 11 1 1 A 6 6 LEU HA H 6 4.984 4.912 0.072 1
1 51 . 11 1 1 A 7 7 LEU H H 7 10.297 8.878 1.419 1
1 52 . 11 1 1 A 7 7 LEU N N 7 125.000 128.290 -3.290 1
1 53 . 11 1 1 A 7 7 LEU CA C 7 53.596 53.757 -0.161 1
1 54 . 11 1 1 A 7 7 LEU C C 7 172.290 175.179 -2.889 1
1 55 . 11 1 1 A 7 7 LEU HA H 7 5.083 4.871 0.212 1
1 65 . 11 1 1 A 8 8 TYR H H 8 8.483 8.777 -0.294 1
1 66 . 11 1 1 A 8 8 TYR N N 8 125.000 128.599 -3.599 1
1 67 . 11 1 1 A 8 8 TYR CA C 8 54.761 56.725 -1.964 1
1 68 . 11 1 1 A 8 8 TYR CB C 8 37.988 39.237 -1.249 1
1 69 . 11 1 1 A 8 8 TYR C C 8 171.270 174.409 -3.139 1
1 70 . 11 1 1 A 8 8 TYR HA H 8 4.592 5.023 -0.431 1
1 73 . 11 1 1 A 9 9 CYS H H 9 9.235 8.993 0.242 1
1 74 . 11 1 1 A 9 9 CYS N N 9 130.104 128.471 1.633 1
1 75 . 11 1 1 A 9 9 CYS CA C 9 55.588 58.827 -3.239 1
1 76 . 11 1 1 A 9 9 CYS CB C 9 26.864 28.352 -1.488 1
1 77 . 11 1 1 A 9 9 CYS C C 9 172.619 174.195 -1.576 1
1 78 . 11 1 1 A 9 9 CYS HA H 9 4.163 4.598 -0.435 1
1 82 . 11 1 1 A 10 10 SER H H 10 8.173 8.586 -0.413 1
1 83 . 11 1 1 A 10 10 SER N N 10 122.600 119.960 2.640 1
1 84 . 11 1 1 A 10 10 SER CA C 10 57.853 58.497 -0.644 1
1 85 . 11 1 1 A 10 10 SER CB C 10 61.820 63.471 -1.651 1
1 86 . 11 1 1 A 10 10 SER C C 10 172.210 173.763 -1.553 1
1 87 . 11 1 1 A 10 10 SER HA H 10 3.920 4.428 -0.508 1
1 89 . 11 1 1 A 11 11 ASN H H 11 7.450 8.840 -1.390 1
1 90 . 11 1 1 A 11 11 ASN N N 11 119.550 124.427 -4.877 1
1 91 . 11 1 1 A 11 11 ASN CA C 11 52.430 52.971 -0.541 1
1 92 . 11 1 1 A 11 11 ASN HA H 11 4.360 4.592 -0.232 1
1 94 . 11 1 1 A 12 12 GLY C C 12 171.806 173.603 -1.797 1
1 95 . 11 1 1 A 12 12 GLY CA C 12 41.915 45.373 -3.458 1
1 96 . 11 1 1 A 12 12 GLY HA3 H 12 3.927 4.135 -0.208 1
1 97 . 11 1 1 A 12 12 GLY H H 12 7.096 8.399 -1.303 1
1 98 . 11 1 1 A 12 12 GLY N N 12 109.300 110.241 -0.941 1
1 99 . 11 1 1 A 13 13 GLY H H 13 7.096 7.584 -0.488 1
1 100 . 11 1 1 A 13 13 GLY N N 13 109.300 108.297 1.003 1
1 101 . 11 1 1 A 13 13 GLY CA C 13 44.272 44.940 -0.668 1
1 102 . 11 1 1 A 13 13 GLY C C 13 170.445 172.386 -1.941 1
1 103 . 11 1 1 A 13 13 GLY HA2 H 13 3.598 3.736 -0.138 1
1 104 . 11 1 1 A 13 13 GLY HA3 H 13 3.204 3.857 -0.653 1
1 105 . 11 1 1 A 14 14 HIS H H 14 6.302 8.850 -2.548 1
1 106 . 11 1 1 A 14 14 HIS N N 14 113.600 116.382 -2.782 1
1 107 . 11 1 1 A 14 14 HIS CA C 14 54.319 53.159 1.160 1
1 108 . 11 1 1 A 14 14 HIS CB C 14 31.792 32.589 -0.797 1
1 109 . 11 1 1 A 14 14 HIS C C 14 171.281 173.222 -1.941 1
1 110 . 11 1 1 A 14 14 HIS HA H 14 4.104 4.984 -0.880 1
1 113 . 11 1 1 A 15 15 PHE H H 15 9.298 8.802 0.496 1
1 114 . 11 1 1 A 15 15 PHE N N 15 120.700 118.150 2.550 1
1 115 . 11 1 1 A 15 15 PHE CA C 15 54.273 57.339 -3.066 1
1 116 . 11 1 1 A 15 15 PHE CB C 15 37.632 40.165 -2.533 1
1 117 . 11 1 1 A 15 15 PHE C C 15 173.938 175.746 -1.808 1
1 118 . 11 1 1 A 15 15 PHE HA H 15 5.390 4.912 0.478 1
1 121 . 11 1 1 A 16 16 LEU H H 16 8.480 8.308 0.172 1
1 122 . 11 1 1 A 16 16 LEU N N 16 124.700 125.184 -0.484 1
1 123 . 11 1 1 A 16 16 LEU CA C 16 54.440 55.097 -0.657 1
1 124 . 11 1 1 A 16 16 LEU C C 16 171.758 175.556 -3.798 1
1 125 . 11 1 1 A 16 16 LEU CB C 16 41.301 42.834 -1.533 1
1 126 . 11 1 1 A 16 16 LEU HA H 16 4.394 5.197 -0.803 1
1 129 . 11 1 1 A 17 17 ARG H H 17 9.339 9.469 -0.130 1
1 130 . 11 1 1 A 17 17 ARG N N 17 126.971 127.791 -0.820 1
1 131 . 11 1 1 A 17 17 ARG CA C 17 53.301 54.156 -0.855 1
1 132 . 11 1 1 A 17 17 ARG CB C 17 32.620 34.178 -1.558 1
1 133 . 11 1 1 A 17 17 ARG C C 17 171.302 175.628 -4.326 1
1 134 . 11 1 1 A 17 17 ARG HA H 17 4.715 5.094 -0.379 1
1 141 . 11 1 1 A 18 18 ILE H H 18 6.989 8.167 -1.178 1
1 142 . 11 1 1 A 18 18 ILE N N 18 120.966 120.283 0.683 1
1 143 . 11 1 1 A 18 18 ILE CA C 18 57.903 59.965 -2.062 1
1 144 . 11 1 1 A 18 18 ILE C C 18 173.747 175.196 -1.449 1
1 145 . 11 1 1 A 18 18 ILE HA H 18 4.563 4.922 -0.359 1
1 150 . 11 1 1 A 19 19 LEU H H 19 8.940 8.976 -0.036 1
1 151 . 11 1 1 A 19 19 LEU N N 19 128.097 126.643 1.454 1
1 152 . 11 1 1 A 19 19 LEU CA C 19 51.419 51.728 -0.309 1
1 153 . 11 1 1 A 20 20 PRO CA C 20 62.710 64.025 -1.315 1
1 154 . 11 1 1 A 20 20 PRO CB C 20 29.518 31.855 -2.337 1
1 155 . 11 1 1 A 20 20 PRO C C 20 173.966 176.949 -2.983 1
1 156 . 11 1 1 A 20 20 PRO HA H 20 4.319 4.566 -0.247 1
1 161 . 11 1 1 A 21 21 ASP H H 21 7.415 8.038 -0.623 1
1 162 . 11 1 1 A 21 21 ASP N N 21 114.000 117.961 -3.961 1
1 163 . 11 1 1 A 21 21 ASP CA C 21 51.361 54.007 -2.646 1
1 164 . 11 1 1 A 21 21 ASP CB C 21 37.419 41.304 -3.885 1
1 165 . 11 1 1 A 21 21 ASP C C 21 174.570 176.660 -2.090 1
1 166 . 11 1 1 A 21 21 ASP HA H 21 4.513 4.722 -0.209 1
1 169 . 11 1 1 A 22 22 GLY H H 22 8.404 8.306 0.098 1
1 170 . 11 1 1 A 22 22 GLY N N 22 109.100 106.686 2.414 1
1 171 . 11 1 1 A 22 22 GLY CA C 22 43.166 45.524 -2.358 1
1 172 . 11 1 1 A 22 22 GLY C C 22 172.565 174.122 -1.557 1
1 173 . 11 1 1 A 22 22 GLY HA3 H 22 4.632 4.141 0.491 1
1 174 . 11 1 1 A 22 22 GLY HA2 H 22 3.838 4.093 -0.255 1
1 175 . 11 1 1 A 23 23 THR H H 23 7.894 7.307 0.587 1
1 176 . 11 1 1 A 23 23 THR N N 23 116.800 116.153 0.647 1
1 177 . 11 1 1 A 23 23 THR CA C 23 61.304 61.324 -0.020 1
1 178 . 11 1 1 A 23 23 THR CB C 23 67.455 71.054 -3.599 1
1 179 . 11 1 1 A 23 23 THR C C 23 170.170 172.766 -2.596 1
1 180 . 11 1 1 A 23 23 THR HA H 23 4.489 4.598 -0.109 1
1 185 . 11 1 1 A 24 24 VAL H H 24 7.792 9.030 -1.238 1
1 186 . 11 1 1 A 24 24 VAL N N 24 123.100 127.369 -4.269 1
1 187 . 11 1 1 A 24 24 VAL CA C 24 58.203 60.257 -2.054 1
1 188 . 11 1 1 A 24 24 VAL CB C 24 31.847 33.789 -1.942 1
1 189 . 11 1 1 A 24 24 VAL C C 24 171.629 174.088 -2.459 1
1 190 . 11 1 1 A 24 24 VAL HA H 24 5.084 5.140 -0.056 1
1 195 . 11 1 1 A 25 25 ASP H H 25 8.906 8.946 -0.040 1
1 196 . 11 1 1 A 25 25 ASP N N 25 131.200 128.661 2.539 1
1 197 . 11 1 1 A 25 25 ASP CA C 25 50.847 52.581 -1.734 1
1 198 . 11 1 1 A 25 25 ASP CB C 25 38.730 44.830 -6.100 1
1 199 . 11 1 1 A 25 25 ASP C C 25 170.281 176.077 -5.796 1
1 200 . 11 1 1 A 25 25 ASP HA H 25 4.313 5.212 -0.899 1
1 203 . 11 1 1 A 26 26 GLY H H 26 7.891 8.632 -0.741 1
1 204 . 11 1 1 A 26 26 GLY N N 26 102.500 109.516 -7.016 1
1 205 . 11 1 1 A 26 26 GLY CA C 26 42.057 45.799 -3.742 1
1 206 . 11 1 1 A 26 26 GLY C C 26 169.975 172.848 -2.873 1
1 207 . 11 1 1 A 26 26 GLY HA3 H 26 5.529 4.110 1.419 1
1 208 . 11 1 1 A 26 26 GLY HA2 H 26 3.015 4.031 -1.016 1
1 209 . 11 1 1 A 27 27 THR H H 27 8.529 9.010 -0.481 1
1 210 . 11 1 1 A 27 27 THR N N 27 112.700 118.074 -5.374 1
1 211 . 11 1 1 A 27 27 THR CA C 27 56.740 60.726 -3.986 1
1 212 . 11 1 1 A 27 27 THR CB C 27 67.326 72.372 -5.046 1
1 213 . 11 1 1 A 27 27 THR C C 27 170.554 172.861 -2.307 1
1 214 . 11 1 1 A 27 27 THR HA H 27 5.189 4.178 1.011 1
1 219 . 11 1 1 A 28 28 ARG H H 28 8.993 8.689 0.304 1
1 220 . 11 1 1 A 28 28 ARG N N 28 127.500 124.152 3.348 1
1 221 . 11 1 1 A 28 28 ARG CA C 28 54.938 55.445 -0.507 1
1 222 . 11 1 1 A 28 28 ARG CB C 28 37.260 31.092 6.168 1
1 223 . 11 1 1 A 28 28 ARG C C 28 173.450 174.673 -1.223 1
1 224 . 11 1 1 A 28 28 ARG HA H 28 4.691 4.837 -0.146 1
1 227 . 11 1 1 A 29 29 ASP H H 29 8.323 8.621 -0.298 1
1 228 . 11 1 1 A 29 29 ASP N N 29 121.000 124.619 -3.619 1
1 229 . 11 1 1 A 29 29 ASP CA C 29 50.779 54.116 -3.337 1
1 230 . 11 1 1 A 29 29 ASP C C 29 172.275 175.497 -3.222 1
1 231 . 11 1 1 A 29 29 ASP HA H 29 4.661 5.083 -0.422 1
1 234 . 11 1 1 A 30 30 ARG H H 30 8.342 8.681 -0.339 1
1 235 . 11 1 1 A 30 30 ARG N N 30 126.100 122.863 3.237 1
1 236 . 11 1 1 A 30 30 ARG CA C 30 54.924 55.276 -0.352 1
1 237 . 11 1 1 A 30 30 ARG CB C 30 28.367 30.578 -2.211 1
1 238 . 11 1 1 A 30 30 ARG C C 30 173.454 176.885 -3.431 1
1 239 . 11 1 1 A 30 30 ARG HA H 30 3.592 4.780 -1.188 1
1 243 . 11 1 1 A 31 31 SER H H 31 8.379 8.012 0.367 1
1 244 . 11 1 1 A 31 31 SER N N 31 113.600 114.689 -1.089 1
1 245 . 11 1 1 A 31 31 SER CA C 31 55.918 59.937 -4.019 1
1 246 . 11 1 1 A 31 31 SER CB C 31 61.807 64.314 -2.507 1
1 247 . 11 1 1 A 31 31 SER C C 31 171.758 173.811 -2.053 1
1 248 . 11 1 1 A 31 31 SER HA H 31 4.397 4.564 -0.167 1
1 251 . 11 1 1 A 32 32 ASP H H 32 7.105 8.089 -0.984 1
1 252 . 11 1 1 A 32 32 ASP N N 32 125.000 119.611 5.389 1
1 253 . 11 1 1 A 32 32 ASP CA C 32 53.116 52.011 1.105 1
1 254 . 11 1 1 A 32 32 ASP CB C 32 41.585 43.698 -2.113 1
1 255 . 11 1 1 A 32 32 ASP C C 32 174.497 174.845 -0.348 1
1 256 . 11 1 1 A 32 32 ASP HA H 32 4.276 4.948 -0.672 1
1 259 . 11 1 1 A 33 33 GLN H H 33 8.775 8.216 0.559 1
1 260 . 11 1 1 A 33 33 GLN N N 33 124.700 120.532 4.168 1
1 261 . 11 1 1 A 33 33 GLN CA C 33 55.127 54.969 0.158 1
1 262 . 11 1 1 A 33 33 GLN CB C 33 26.601 28.011 -1.410 1
1 263 . 11 1 1 A 33 33 GLN C C 33 174.900 175.179 -0.279 1
1 264 . 11 1 1 A 33 33 GLN HA H 33 4.061 4.608 -0.547 1
1 271 . 11 1 1 A 34 34 HIS H H 34 9.681 8.483 1.198 1
1 272 . 11 1 1 A 34 34 HIS N N 34 116.700 120.444 -3.744 1
1 273 . 11 1 1 A 34 34 HIS CA C 34 55.739 56.777 -1.038 1
1 274 . 11 1 1 A 34 34 HIS CB C 34 26.065 31.571 -5.506 1
1 275 . 11 1 1 A 34 34 HIS C C 34 172.307 176.317 -4.010 1
1 276 . 11 1 1 A 34 34 HIS HA H 34 4.885 4.743 0.142 1
1 279 . 11 1 1 A 35 35 ILE H H 35 6.711 7.477 -0.766 1
1 280 . 11 1 1 A 35 35 ILE N N 35 108.600 109.452 -0.852 1
1 281 . 11 1 1 A 35 35 ILE CA C 35 58.395 61.253 -2.858 1
1 282 . 11 1 1 A 35 35 ILE CB C 35 35.989 37.594 -1.605 1
1 283 . 11 1 1 A 35 35 ILE C C 35 172.249 176.272 -4.023 1
1 284 . 11 1 1 A 35 35 ILE HA H 35 5.114 4.388 0.726 1
1 293 . 11 1 1 A 36 36 GLN H H 36 7.148 7.875 -0.727 1
1 294 . 11 1 1 A 36 36 GLN N N 36 120.018 121.543 -1.525 1
1 295 . 11 1 1 A 36 36 GLN CA C 36 55.111 55.083 0.028 1
1 296 . 11 1 1 A 36 36 GLN CB C 36 25.190 29.747 -4.557 1
1 297 . 11 1 1 A 36 36 GLN C C 36 172.952 175.126 -2.174 1
1 298 . 11 1 1 A 36 36 GLN HA H 36 4.261 4.732 -0.471 1
1 305 . 11 1 1 A 37 37 LEU H H 37 9.110 8.755 0.355 1
1 306 . 11 1 1 A 37 37 LEU N N 37 127.600 123.109 4.491 1
1 307 . 11 1 1 A 37 37 LEU CA C 37 51.329 53.013 -1.684 1
1 308 . 11 1 1 A 37 37 LEU CB C 37 42.165 44.301 -2.136 1
1 309 . 11 1 1 A 37 37 LEU C C 37 172.877 175.018 -2.141 1
1 310 . 11 1 1 A 37 37 LEU HA H 37 5.315 5.201 0.114 1
1 319 . 11 1 1 A 38 38 GLN H H 38 9.556 9.471 0.085 1
1 320 . 11 1 1 A 38 38 GLN N N 38 120.583 121.566 -0.983 1
1 321 . 11 1 1 A 38 38 GLN CA C 38 51.810 55.059 -3.249 1
1 322 . 11 1 1 A 38 38 GLN CB C 38 29.259 29.675 -0.416 1
1 323 . 11 1 1 A 38 38 GLN C C 38 172.676 174.888 -2.212 1
1 324 . 11 1 1 A 38 38 GLN HA H 38 4.623 4.620 0.003 1
1 328 . 11 1 1 A 39 39 LEU H H 39 8.926 9.291 -0.365 1
1 329 . 11 1 1 A 39 39 LEU N N 39 131.700 130.613 1.087 1
1 330 . 11 1 1 A 39 39 LEU CA C 39 53.062 53.926 -0.864 1
1 331 . 11 1 1 A 39 39 LEU C C 39 174.601 175.531 -0.930 1
1 332 . 11 1 1 A 39 39 LEU HA H 39 5.506 4.933 0.573 1
1 341 . 11 1 1 A 40 40 SER H H 40 8.569 8.718 -0.149 1
1 342 . 11 1 1 A 40 40 SER N N 40 115.900 122.533 -6.633 1
1 343 . 11 1 1 A 40 40 SER CA C 40 54.925 57.486 -2.561 1
1 344 . 11 1 1 A 40 40 SER CB C 40 46.694 66.190 -19.496 1
1 345 . 11 1 1 A 40 40 SER C C 40 170.046 172.821 -2.775 1
1 346 . 11 1 1 A 40 40 SER HA H 40 4.676 5.242 -0.566 1
1 349 . 11 1 1 A 41 41 ALA H H 41 8.357 8.549 -0.192 1
1 350 . 11 1 1 A 41 41 ALA N N 41 125.900 125.021 0.879 1
1 351 . 11 1 1 A 41 41 ALA CA C 41 49.309 50.628 -1.319 1
1 352 . 11 1 1 A 41 41 ALA CB C 41 27.376 20.154 7.222 1
1 353 . 11 1 1 A 41 41 ALA C C 41 175.352 177.222 -1.870 1
1 354 . 11 1 1 A 41 41 ALA HA H 41 5.016 4.883 0.133 1
1 358 . 11 1 1 A 42 42 GLU H H 42 8.485 8.611 -0.126 1
1 359 . 11 1 1 A 42 42 GLU N N 42 125.400 123.953 1.447 1
1 360 . 11 1 1 A 42 42 GLU CA C 42 54.611 57.508 -2.897 1
1 361 . 11 1 1 A 42 42 GLU CB C 42 28.181 31.382 -3.201 1
1 362 . 11 1 1 A 42 42 GLU C C 42 174.014 176.402 -2.388 1
1 363 . 11 1 1 A 42 42 GLU HA H 42 4.444 4.534 -0.090 1
1 368 . 11 1 1 A 43 43 SER H H 43 8.020 7.851 0.169 1
1 369 . 11 1 1 A 43 43 SER N N 43 113.900 116.312 -2.412 1
1 370 . 11 1 1 A 43 43 SER CA C 43 55.014 57.464 -2.450 1
1 371 . 11 1 1 A 43 43 SER CB C 43 61.687 65.392 -3.705 1
1 372 . 11 1 1 A 43 43 SER C C 43 171.119 173.799 -2.680 1
1 373 . 11 1 1 A 43 43 SER HA H 43 4.516 4.807 -0.291 1
1 376 . 11 1 1 A 44 44 VAL H H 44 8.113 8.453 -0.340 1
1 377 . 11 1 1 A 44 44 VAL N N 44 121.100 121.245 -0.145 1
1 378 . 11 1 1 A 44 44 VAL CA C 44 62.838 63.632 -0.794 1
1 379 . 11 1 1 A 44 44 VAL CB C 44 28.991 31.311 -2.320 1
1 380 . 11 1 1 A 44 44 VAL C C 44 175.533 176.499 -0.966 1
1 381 . 11 1 1 A 44 44 VAL HA H 44 3.868 3.933 -0.065 1
1 389 . 11 1 1 A 45 45 GLY H H 45 8.807 8.770 0.037 1
1 390 . 11 1 1 A 45 45 GLY N N 45 115.545 114.781 0.764 1
1 391 . 11 1 1 A 45 45 GLY CA C 45 43.553 45.448 -1.895 1
1 392 . 11 1 1 A 45 45 GLY C C 45 170.948 173.457 -2.509 1
1 393 . 11 1 1 A 45 45 GLY HA3 H 45 4.296 3.973 0.323 1
1 394 . 11 1 1 A 45 45 GLY HA2 H 45 3.995 3.959 0.036 1
1 395 . 11 1 1 A 46 46 GLU H H 46 7.985 7.819 0.166 1
1 396 . 11 1 1 A 46 46 GLU N N 46 121.200 121.148 0.052 1
1 397 . 11 1 1 A 46 46 GLU CA C 46 52.751 55.061 -2.310 1
1 398 . 11 1 1 A 46 46 GLU CB C 46 29.432 32.039 -2.607 1
1 399 . 11 1 1 A 46 46 GLU C C 46 173.583 175.638 -2.055 1
1 400 . 11 1 1 A 46 46 GLU HA H 46 5.442 4.748 0.694 1
1 405 . 11 1 1 A 47 47 VAL H H 47 9.560 8.990 0.570 1
1 406 . 11 1 1 A 47 47 VAL N N 47 116.400 121.087 -4.687 1
1 407 . 11 1 1 A 47 47 VAL CA C 47 56.846 59.733 -2.887 1
1 408 . 11 1 1 A 47 47 VAL CB C 47 33.714 34.670 -0.956 1
1 409 . 11 1 1 A 47 47 VAL C C 47 172.960 173.533 -0.573 1
1 410 . 11 1 1 A 47 47 VAL HA H 47 5.505 5.137 0.368 1
1 418 . 11 1 1 A 48 48 TYR H H 48 8.415 9.077 -0.662 1
1 419 . 11 1 1 A 48 48 TYR N N 48 117.400 126.218 -8.818 1
1 420 . 11 1 1 A 48 48 TYR CA C 48 54.331 55.798 -1.467 1
1 421 . 11 1 1 A 48 48 TYR CB C 48 39.296 41.658 -2.362 1
1 422 . 11 1 1 A 48 48 TYR C C 48 173.423 173.800 -0.377 1
1 423 . 11 1 1 A 48 48 TYR HA H 48 5.290 5.305 -0.015 1
1 426 . 11 1 1 A 49 49 ILE H H 49 10.532 8.554 1.978 1
1 427 . 11 1 1 A 49 49 ILE N N 49 123.100 128.531 -5.431 1
1 428 . 11 1 1 A 49 49 ILE CA C 49 59.573 60.102 -0.529 1
1 429 . 11 1 1 A 49 49 ILE CB C 49 40.504 37.694 2.810 1
1 430 . 11 1 1 A 49 49 ILE C C 49 170.853 174.940 -4.087 1
1 431 . 11 1 1 A 49 49 ILE HA H 49 4.341 4.610 -0.269 1
1 438 . 11 1 1 A 50 50 LYS H H 50 8.511 8.758 -0.247 1
1 439 . 11 1 1 A 50 50 LYS N N 50 125.800 124.488 1.312 1
1 440 . 11 1 1 A 50 50 LYS CA C 50 51.179 54.255 -3.076 1
1 441 . 11 1 1 A 50 50 LYS CB C 50 34.816 35.983 -1.167 1
1 442 . 11 1 1 A 50 50 LYS C C 50 173.759 175.235 -1.476 1
1 443 . 11 1 1 A 50 50 LYS HA H 50 4.991 4.931 0.060 1
1 451 . 11 1 1 A 51 51 SER H H 51 8.920 9.020 -0.100 1
1 452 . 11 1 1 A 51 51 SER N N 51 117.579 119.014 -1.435 1
1 453 . 11 1 1 A 51 51 SER CA C 51 55.043 59.382 -4.339 1
1 454 . 11 1 1 A 51 51 SER CB C 51 61.065 63.663 -2.598 1
1 455 . 11 1 1 A 51 51 SER C C 51 175.084 174.293 0.791 1
1 456 . 11 1 1 A 51 51 SER HA H 51 4.666 4.590 0.076 1
1 459 . 11 1 1 A 52 52 THR H H 52 8.342 8.226 0.116 1
1 460 . 11 1 1 A 52 52 THR N N 52 123.200 119.291 3.909 1
1 461 . 11 1 1 A 52 52 THR CA C 52 62.792 64.690 -1.898 1
1 462 . 11 1 1 A 52 52 THR CB C 52 65.611 68.979 -3.368 1
1 463 . 11 1 1 A 52 52 THR C C 52 173.566 176.558 -2.992 1
1 464 . 11 1 1 A 52 52 THR HA H 52 3.996 3.971 0.025 1
1 469 . 11 1 1 A 53 53 GLU H H 53 8.312 7.907 0.405 1
1 470 . 11 1 1 A 53 53 GLU N N 53 122.000 120.744 1.256 1
1 471 . 11 1 1 A 53 53 GLU CA C 53 55.889 58.170 -2.281 1
1 472 . 11 1 1 A 53 53 GLU CB C 53 28.359 30.381 -2.022 1
1 473 . 11 1 1 A 53 53 GLU C C 53 175.327 177.986 -2.659 1
1 474 . 11 1 1 A 53 53 GLU HA H 53 4.311 4.232 0.079 1
1 477 . 11 1 1 A 54 54 THR H H 54 7.724 7.894 -0.170 1
1 478 . 11 1 1 A 54 54 THR N N 54 103.100 111.231 -8.131 1
1 479 . 11 1 1 A 54 54 THR CA C 54 58.555 62.113 -3.558 1
1 480 . 11 1 1 A 54 54 THR CB C 54 69.030 69.310 -0.280 1
1 481 . 11 1 1 A 54 54 THR C C 54 173.942 175.604 -1.662 1
1 482 . 11 1 1 A 54 54 THR HA H 54 4.681 4.646 0.035 1
1 487 . 11 1 1 A 55 55 GLY H H 55 7.643 8.143 -0.500 1
1 488 . 11 1 1 A 55 55 GLY N N 55 110.700 110.733 -0.033 1
1 489 . 11 1 1 A 55 55 GLY CA C 55 43.594 45.869 -2.275 1
1 490 . 11 1 1 A 55 55 GLY HA3 H 55 4.150 3.989 0.161 1
1 491 . 11 1 1 A 55 55 GLY HA2 H 55 3.591 3.976 -0.385 1
1 492 . 11 1 1 A 55 55 GLY C C 55 170.694 174.544 -3.850 1
1 493 . 11 1 1 A 56 56 GLN H H 56 7.211 7.944 -0.733 1
1 494 . 11 1 1 A 56 56 GLN N N 56 115.700 113.352 2.348 1
1 495 . 11 1 1 A 56 56 GLN CA C 56 53.898 55.146 -1.248 1
1 496 . 11 1 1 A 56 56 GLN CB C 56 30.456 30.630 -0.174 1
1 497 . 11 1 1 A 56 56 GLN C C 56 172.141 172.804 -0.663 1
1 498 . 11 1 1 A 56 56 GLN HA H 56 4.311 4.591 -0.280 1
1 504 . 11 1 1 A 57 57 TYR H H 57 9.254 8.988 0.266 1
1 505 . 11 1 1 A 57 57 TYR N N 57 119.400 124.980 -5.580 1
1 506 . 11 1 1 A 57 57 TYR CA C 57 53.356 56.638 -3.282 1
1 507 . 11 1 1 A 57 57 TYR CB C 57 40.466 38.466 2.000 1
1 508 . 11 1 1 A 57 57 TYR C C 57 173.320 174.393 -1.073 1
1 509 . 11 1 1 A 57 57 TYR HA H 57 4.128 6.263 -2.135 1
1 512 . 11 1 1 A 58 58 LEU H H 58 9.126 8.447 0.679 1
1 513 . 11 1 1 A 58 58 LEU N N 58 123.600 129.702 -6.102 1
1 514 . 11 1 1 A 58 58 LEU CA C 58 53.256 54.182 -0.926 1
1 515 . 11 1 1 A 58 58 LEU CB C 58 40.466 42.240 -1.774 1
1 516 . 11 1 1 A 58 58 LEU C C 58 172.320 174.541 -2.221 1
1 517 . 11 1 1 A 58 58 LEU HA H 58 4.128 5.647 -1.519 1
1 524 . 11 1 1 A 59 59 ALA H H 59 8.656 8.324 0.332 1
1 525 . 11 1 1 A 59 59 ALA N N 59 126.947 130.162 -3.215 1
1 526 . 11 1 1 A 59 59 ALA CA C 59 48.450 50.084 -1.634 1
1 527 . 11 1 1 A 59 59 ALA CB C 59 21.261 19.775 1.486 1
1 528 . 11 1 1 A 59 59 ALA C C 59 172.722 175.861 -3.139 1
1 529 . 11 1 1 A 59 59 ALA HA H 59 5.124 4.642 0.482 1
1 533 . 11 1 1 A 60 60 MET H H 60 7.521 9.071 -1.550 1
1 534 . 11 1 1 A 60 60 MET N N 60 116.602 125.610 -9.008 1
1 535 . 11 1 1 A 60 60 MET CA C 60 52.251 55.138 -2.887 1
1 536 . 11 1 1 A 60 60 MET CB C 60 35.046 33.873 1.173 1
1 537 . 11 1 1 A 60 60 MET C C 60 173.753 174.585 -0.832 1
1 538 . 11 1 1 A 60 60 MET HA H 60 5.527 4.839 0.688 1
1 543 . 11 1 1 A 61 61 ASP H H 61 9.159 8.626 0.533 1
1 544 . 11 1 1 A 61 61 ASP N N 61 128.445 126.698 1.747 1
1 545 . 11 1 1 A 61 61 ASP CA C 61 51.480 52.899 -1.419 1
1 546 . 11 1 1 A 61 61 ASP CB C 61 39.346 42.773 -3.427 1
1 547 . 11 1 1 A 61 61 ASP C C 61 175.800 175.775 0.025 1
1 548 . 11 1 1 A 61 61 ASP HA H 61 5.046 5.055 -0.009 1
1 551 . 11 1 1 A 62 62 THR H H 62 7.972 9.084 -1.112 1
1 552 . 11 1 1 A 62 62 THR N N 62 107.806 118.844 -11.038 1
1 553 . 11 1 1 A 62 62 THR CA C 62 62.626 65.891 -3.265 1
1 554 . 11 1 1 A 62 62 THR CB C 62 66.955 67.245 -0.290 1
1 555 . 11 1 1 A 62 62 THR C C 62 172.355 173.505 -1.150 1
1 556 . 11 1 1 A 62 62 THR HA H 62 4.134 3.932 0.202 1
1 561 . 11 1 1 A 63 63 ASP H H 63 8.333 8.601 -0.268 1
1 562 . 11 1 1 A 63 63 ASP N N 63 119.831 119.161 0.670 1
1 563 . 11 1 1 A 63 63 ASP CA C 63 51.865 53.448 -1.583 1
1 564 . 11 1 1 A 63 63 ASP CB C 63 39.182 41.853 -2.671 1
1 565 . 11 1 1 A 63 63 ASP C C 63 174.438 177.646 -3.208 1
1 566 . 11 1 1 A 63 63 ASP HA H 63 4.964 4.736 0.228 1
1 569 . 11 1 1 A 64 64 GLY H H 64 8.264 8.264 0.000 1
1 570 . 11 1 1 A 64 64 GLY N N 64 109.142 108.428 0.714 1
1 571 . 11 1 1 A 64 64 GLY CA C 64 42.923 45.528 -2.605 1
1 572 . 11 1 1 A 64 64 GLY C C 64 171.248 173.965 -2.717 1
1 573 . 11 1 1 A 64 64 GLY HA3 H 64 3.652 4.192 -0.540 1
1 574 . 11 1 1 A 64 64 GLY HA2 H 64 3.397 4.178 -0.781 1
1 575 . 11 1 1 A 65 65 LEU H H 65 8.636 7.893 0.743 1
1 576 . 11 1 1 A 65 65 LEU N N 65 123.137 116.770 6.367 1
1 577 . 11 1 1 A 65 65 LEU CA C 65 52.224 53.228 -1.004 1
1 578 . 11 1 1 A 65 65 LEU CB C 65 40.557 44.928 -4.371 1
1 579 . 11 1 1 A 65 65 LEU C C 65 174.507 174.497 0.010 1
1 580 . 11 1 1 A 65 65 LEU HA H 65 4.529 4.863 -0.334 1
1 590 . 11 1 1 A 66 66 LEU H H 66 7.431 8.547 -1.116 1
1 591 . 11 1 1 A 66 66 LEU N N 66 124.493 115.741 8.752 1
1 592 . 11 1 1 A 66 66 LEU CA C 66 51.635 53.246 -1.611 1
1 593 . 11 1 1 A 66 66 LEU CB C 66 40.474 45.324 -4.850 1
1 594 . 11 1 1 A 66 66 LEU C C 66 174.070 174.819 -0.749 1
1 595 . 11 1 1 A 66 66 LEU HA H 66 5.714 5.315 0.399 1
1 605 . 11 1 1 A 67 67 TYR H H 67 9.237 8.889 0.348 1
1 606 . 11 1 1 A 67 67 TYR N N 67 120.360 120.613 -0.253 1
1 607 . 11 1 1 A 67 67 TYR CA C 67 54.076 55.690 -1.614 1
1 608 . 11 1 1 A 67 67 TYR CB C 67 38.903 41.642 -2.739 1
1 609 . 11 1 1 A 67 67 TYR C C 67 169.640 175.902 -6.262 1
1 610 . 11 1 1 A 67 67 TYR HA H 67 5.023 5.437 -0.414 1
1 612 . 11 1 1 A 68 68 GLY H H 68 8.928 8.274 0.654 1
1 613 . 11 1 1 A 68 68 GLY N N 68 105.646 109.223 -3.577 1
1 614 . 11 1 1 A 68 68 GLY CA C 68 41.569 45.787 -4.218 1
1 615 . 11 1 1 A 68 68 GLY C C 68 170.551 173.972 -3.421 1
1 616 . 11 1 1 A 68 68 GLY HA2 H 68 4.676 4.283 0.393 1
1 617 . 11 1 1 A 69 69 SER H H 69 9.608 9.354 0.254 1
1 618 . 11 1 1 A 69 69 SER N N 69 120.100 120.133 -0.033 1
1 619 . 11 1 1 A 69 69 SER CA C 69 53.737 59.583 -5.846 1
1 620 . 11 1 1 A 69 69 SER CB C 69 63.042 65.522 -2.480 1
1 621 . 11 1 1 A 69 69 SER C C 69 174.219 175.251 -1.032 1
1 622 . 11 1 1 A 69 69 SER HA H 69 4.966 4.807 0.159 1
1 625 . 11 1 1 A 70 70 GLN H H 70 9.343 8.583 0.760 1
1 626 . 11 1 1 A 70 70 GLN N N 70 127.339 118.815 8.524 1
1 627 . 11 1 1 A 70 70 GLN CA C 70 56.139 57.690 -1.551 1
1 628 . 11 1 1 A 70 70 GLN CB C 70 27.092 30.357 -3.265 1
1 629 . 11 1 1 A 70 70 GLN C C 70 173.241 176.274 -3.033 1
1 630 . 11 1 1 A 70 70 GLN HA H 70 4.286 4.381 -0.095 1
1 638 . 11 1 1 A 71 71 THR H H 71 7.532 8.209 -0.677 1
1 639 . 11 1 1 A 71 71 THR N N 71 108.100 110.439 -2.339 1
1 640 . 11 1 1 A 71 71 THR CA C 71 55.203 58.986 -3.783 1
1 641 . 11 1 1 A 71 71 THR HA H 71 4.780 4.974 -0.194 1
1 643 . 11 1 1 A 72 72 PRO CA C 72 60.050 62.159 -2.109 1
1 644 . 11 1 1 A 72 72 PRO CB C 72 26.678 31.086 -4.408 1
1 645 . 11 1 1 A 72 72 PRO C C 72 172.920 175.785 -2.865 1
1 646 . 11 1 1 A 72 72 PRO HA H 72 4.173 4.988 -0.815 1
1 649 . 11 1 1 A 73 73 ASN H H 73 7.321 8.919 -1.598 1
1 650 . 11 1 1 A 73 73 ASN N N 73 119.200 120.708 -1.508 1
1 651 . 11 1 1 A 73 73 ASN CA C 73 49.994 52.071 -2.077 1
1 652 . 11 1 1 A 74 74 GLU H H 74 9.030 8.866 0.164 1
1 653 . 11 1 1 A 74 74 GLU CA C 74 57.131 55.309 1.822 1
1 654 . 11 1 1 A 74 74 GLU CB C 74 27.005 29.870 -2.865 1
1 655 . 11 1 1 A 74 74 GLU C C 74 176.352 176.112 0.240 1
1 656 . 11 1 1 A 74 74 GLU HA H 74 4.130 4.624 -0.494 1
1 661 . 11 1 1 A 75 75 GLU H H 75 8.574 8.649 -0.075 1
1 662 . 11 1 1 A 75 75 GLU N N 75 119.200 124.032 -4.832 1
1 663 . 11 1 1 A 75 75 GLU CA C 75 56.343 56.701 -0.358 1
1 664 . 11 1 1 A 75 75 GLU CB C 75 26.028 31.802 -5.774 1
1 665 . 11 1 1 A 75 75 GLU C C 75 173.866 177.057 -3.191 1
1 666 . 11 1 1 A 75 75 GLU HA H 75 4.206 4.503 -0.297 1
1 671 . 11 1 1 A 76 76 CYS H H 76 7.727 7.831 -0.104 1
1 672 . 11 1 1 A 76 76 CYS N N 76 113.800 117.274 -3.474 1
1 673 . 11 1 1 A 76 76 CYS CA C 76 55.635 60.347 -4.712 1
1 674 . 11 1 1 A 76 76 CYS CB C 76 26.036 26.991 -0.955 1
1 675 . 11 1 1 A 76 76 CYS C C 76 170.849 174.414 -3.565 1
1 676 . 11 1 1 A 76 76 CYS HA H 76 5.426 3.963 1.463 1
1 679 . 11 1 1 A 77 77 LEU H H 77 6.241 7.191 -0.950 1
1 680 . 11 1 1 A 77 77 LEU N N 77 118.069 119.113 -1.044 1
1 681 . 11 1 1 A 77 77 LEU CA C 77 51.793 53.163 -1.370 1
1 682 . 11 1 1 A 77 77 LEU CB C 77 42.123 43.155 -1.032 1
1 683 . 11 1 1 A 77 77 LEU C C 77 173.882 175.778 -1.896 1
1 684 . 11 1 1 A 77 77 LEU HA H 77 4.555 4.129 0.426 1
1 694 . 11 1 1 A 78 78 PHE H H 78 9.067 8.445 0.622 1
1 695 . 11 1 1 A 78 78 PHE N N 78 122.377 119.644 2.733 1
1 696 . 11 1 1 A 78 78 PHE CA C 78 54.917 56.363 -1.446 1
1 697 . 11 1 1 A 78 78 PHE CB C 78 40.597 43.688 -3.091 1
1 698 . 11 1 1 A 78 78 PHE C C 78 171.853 174.559 -2.706 1
1 699 . 11 1 1 A 78 78 PHE HA H 78 5.169 5.104 0.065 1
1 702 . 11 1 1 A 79 79 LEU H H 79 9.958 8.905 1.053 1
1 703 . 11 1 1 A 79 79 LEU N N 79 122.126 123.404 -1.278 1
1 704 . 11 1 1 A 79 79 LEU CA C 79 51.232 54.702 -3.470 1
1 705 . 11 1 1 A 79 79 LEU CB C 79 38.511 44.110 -5.599 1
1 706 . 11 1 1 A 79 79 LEU C C 79 173.055 175.872 -2.817 1
1 707 . 11 1 1 A 79 79 LEU HA H 79 4.686 5.037 -0.351 1
1 713 . 11 1 1 A 80 80 GLU H H 80 8.347 9.488 -1.141 1
1 714 . 11 1 1 A 80 80 GLU N N 80 126.300 127.882 -1.582 1
1 715 . 11 1 1 A 80 80 GLU CA C 80 52.558 55.413 -2.855 1
1 716 . 11 1 1 A 80 80 GLU CB C 80 30.892 31.730 -0.838 1
1 717 . 11 1 1 A 80 80 GLU C C 80 173.355 175.264 -1.909 1
1 718 . 11 1 1 A 80 80 GLU HA H 80 4.832 5.365 -0.533 1
1 721 . 11 1 1 A 81 81 ARG H H 81 8.840 9.155 -0.315 1
1 722 . 11 1 1 A 81 81 ARG N N 81 129.522 128.738 0.784 1
1 723 . 11 1 1 A 81 81 ARG CA C 81 52.288 54.768 -2.480 1
1 724 . 11 1 1 A 81 81 ARG CB C 81 38.588 32.912 5.676 1
1 725 . 11 1 1 A 81 81 ARG C C 81 172.258 175.014 -2.756 1
1 726 . 11 1 1 A 81 81 ARG HA H 81 4.659 4.933 -0.274 1
1 732 . 11 1 1 A 82 82 LEU H H 82 8.347 8.762 -0.415 1
1 733 . 11 1 1 A 82 82 LEU N N 82 125.700 123.897 1.803 1
1 734 . 11 1 1 A 82 82 LEU CA C 82 52.631 53.522 -0.891 1
1 735 . 11 1 1 A 82 82 LEU CB C 82 40.304 43.122 -2.818 1
1 736 . 11 1 1 A 82 82 LEU C C 82 174.567 176.661 -2.094 1
1 737 . 11 1 1 A 82 82 LEU HA H 82 4.875 4.883 -0.008 1
1 744 . 11 1 1 A 83 83 GLU H H 83 9.064 8.793 0.271 1
1 745 . 11 1 1 A 83 83 GLU N N 83 125.600 122.556 3.044 1
1 746 . 11 1 1 A 83 83 GLU CA C 83 51.723 56.091 -4.368 1
1 747 . 11 1 1 A 83 83 GLU CB C 83 43.703 30.292 13.411 1
1 748 . 11 1 1 A 83 83 GLU C C 83 174.885 176.848 -1.963 1
1 749 . 11 1 1 A 83 83 GLU HA H 83 4.974 4.493 0.481 1
1 752 . 11 1 1 A 84 84 GLU H H 84 8.806 9.191 -0.385 1
1 753 . 11 1 1 A 84 84 GLU N N 84 120.300 122.795 -2.495 1
1 754 . 11 1 1 A 84 84 GLU CA C 84 55.553 56.694 -1.141 1
1 755 . 11 1 1 A 84 84 GLU CB C 84 27.117 29.887 -2.770 1
1 756 . 11 1 1 A 84 84 GLU C C 84 174.261 176.638 -2.377 1
1 757 . 11 1 1 A 84 84 GLU HA H 84 4.112 4.522 -0.410 1
1 761 . 11 1 1 A 85 85 ASN H H 85 8.429 7.838 0.591 1
1 762 . 11 1 1 A 85 85 ASN N N 85 114.800 120.078 -5.278 1
1 763 . 11 1 1 A 85 85 ASN CA C 85 51.788 52.182 -0.394 1
1 764 . 11 1 1 A 85 85 ASN CB C 85 35.301 38.456 -3.155 1
1 765 . 11 1 1 A 85 85 ASN C C 85 172.203 174.865 -2.662 1
1 766 . 11 1 1 A 85 85 ASN HA H 85 4.343 4.797 -0.454 1
1 769 . 11 1 1 A 86 86 HIS H H 86 8.081 8.049 0.032 1
1 770 . 11 1 1 A 86 86 HIS N N 86 108.737 113.581 -4.844 1
1 771 . 11 1 1 A 86 86 HIS CA C 86 55.255 56.840 -1.585 1
1 772 . 11 1 1 A 86 86 HIS CB C 86 24.858 26.577 -1.719 1
1 773 . 11 1 1 A 86 86 HIS C C 86 171.039 173.227 -2.188 1
1 774 . 11 1 1 A 86 86 HIS HA H 86 4.260 4.043 0.217 1
1 777 . 11 1 1 A 87 87 TYR H H 87 7.592 7.451 0.141 1
1 778 . 11 1 1 A 87 87 TYR N N 87 117.738 117.550 0.188 1
1 779 . 11 1 1 A 87 87 TYR CA C 87 56.163 56.392 -0.229 1
1 780 . 11 1 1 A 87 87 TYR CB C 87 38.643 42.937 -4.294 1
1 781 . 11 1 1 A 87 87 TYR C C 87 171.983 174.322 -2.339 1
1 782 . 11 1 1 A 87 87 TYR HA H 87 4.836 5.087 -0.251 1
1 784 . 11 1 1 A 88 88 ASN H H 88 9.840 8.872 0.968 1
1 785 . 11 1 1 A 88 88 ASN N N 88 118.891 118.950 -0.059 1
1 786 . 11 1 1 A 88 88 ASN CA C 88 50.063 51.457 -1.394 1
1 787 . 11 1 1 A 88 88 ASN CB C 88 40.242 41.339 -1.097 1
1 788 . 11 1 1 A 88 88 ASN C C 88 172.471 174.053 -1.582 1
1 789 . 11 1 1 A 88 88 ASN HA H 88 5.837 5.801 0.036 1
1 795 . 11 1 1 A 89 89 THR H H 89 8.380 8.840 -0.460 1
1 796 . 11 1 1 A 89 89 THR N N 89 108.521 115.048 -6.527 1
1 797 . 11 1 1 A 89 89 THR CA C 89 57.357 59.876 -2.519 1
1 798 . 11 1 1 A 89 89 THR CB C 89 70.868 72.953 -2.085 1
1 799 . 11 1 1 A 89 89 THR C C 89 170.548 172.507 -1.959 1
1 800 . 11 1 1 A 89 89 THR HA H 89 5.127 4.517 0.610 1
1 805 . 11 1 1 A 90 90 TYR H H 90 10.247 9.011 1.236 1
1 806 . 11 1 1 A 90 90 TYR N N 90 119.000 120.607 -1.607 1
1 807 . 11 1 1 A 90 90 TYR CA C 90 55.106 56.286 -1.180 1
1 808 . 11 1 1 A 90 90 TYR CB C 90 39.047 43.361 -4.314 1
1 809 . 11 1 1 A 90 90 TYR C C 90 172.442 174.817 -2.375 1
1 810 . 11 1 1 A 90 90 TYR HA H 90 5.472 5.481 -0.009 1
1 812 . 11 1 1 A 91 91 ILE H H 91 8.781 9.696 -0.915 1
1 813 . 11 1 1 A 91 91 ILE N N 91 122.546 121.451 1.095 1
1 814 . 11 1 1 A 91 91 ILE CA C 91 56.346 59.130 -2.784 1
1 815 . 11 1 1 A 91 91 ILE CB C 91 36.627 41.614 -4.987 1
1 816 . 11 1 1 A 91 91 ILE C C 91 172.924 174.431 -1.507 1
1 817 . 11 1 1 A 91 91 ILE HA H 91 4.673 5.128 -0.455 1
1 826 . 11 1 1 A 92 92 SER H H 92 8.191 8.515 -0.324 1
1 827 . 11 1 1 A 92 92 SER N N 92 120.200 122.589 -2.389 1
1 828 . 11 1 1 A 92 92 SER CA C 92 55.781 56.959 -1.178 1
1 829 . 11 1 1 A 92 92 SER CB C 92 62.382 62.877 -0.495 1
1 830 . 11 1 1 A 92 92 SER C C 92 172.863 175.766 -2.903 1
1 831 . 11 1 1 A 92 92 SER HA H 92 4.016 4.861 -0.845 1
1 833 . 11 1 1 A 93 93 LYS H H 93 7.993 9.137 -1.144 1
1 834 . 11 1 1 A 93 93 LYS N N 93 130.618 127.396 3.222 1
1 835 . 11 1 1 A 93 93 LYS CA C 93 57.942 58.350 -0.408 1
1 836 . 11 1 1 A 93 93 LYS CB C 93 30.889 32.397 -1.508 1
1 837 . 11 1 1 A 93 93 LYS C C 93 176.938 177.946 -1.008 1
1 838 . 11 1 1 A 93 93 LYS HA H 93 3.779 4.377 -0.598 1
1 844 . 11 1 1 A 94 94 LYS H H 94 8.616 8.027 0.589 1
1 845 . 11 1 1 A 94 94 LYS N N 94 120.044 119.983 0.061 1
1 846 . 11 1 1 A 94 94 LYS CA C 94 55.868 59.150 -3.282 1
1 847 . 11 1 1 A 94 94 LYS CB C 94 30.329 32.703 -2.374 1
1 848 . 11 1 1 A 94 94 LYS C C 94 174.491 177.980 -3.489 1
1 849 . 11 1 1 A 94 94 LYS HA H 94 3.851 4.104 -0.253 1
1 856 . 11 1 1 A 95 95 HIS H H 95 7.249 8.123 -0.874 1
1 857 . 11 1 1 A 95 95 HIS N N 95 114.486 117.506 -3.020 1
1 858 . 11 1 1 A 95 95 HIS CA C 95 51.180 54.629 -3.449 1
1 859 . 11 1 1 A 95 95 HIS CB C 95 26.844 29.171 -2.327 1
1 860 . 11 1 1 A 95 95 HIS C C 95 173.734 175.680 -1.946 1
1 861 . 11 1 1 A 95 95 HIS HA H 95 4.604 4.747 -0.143 1
1 864 . 11 1 1 A 96 96 ALA H H 96 7.104 7.987 -0.883 1
1 865 . 11 1 1 A 96 96 ALA N N 96 125.204 124.285 0.919 1
1 866 . 11 1 1 A 96 96 ALA CA C 96 53.758 55.485 -1.727 1
1 867 . 11 1 1 A 96 96 ALA CB C 96 16.578 18.621 -2.043 1
1 868 . 11 1 1 A 96 96 ALA C C 96 178.508 179.740 -1.232 1
1 869 . 11 1 1 A 96 96 ALA HA H 96 4.131 4.428 -0.297 1
1 873 . 11 1 1 A 97 97 GLU H H 97 8.857 8.633 0.224 1
1 874 . 11 1 1 A 97 97 GLU N N 97 118.007 115.883 2.124 1
1 875 . 11 1 1 A 97 97 GLU CA C 97 56.153 59.055 -2.902 1
1 876 . 11 1 1 A 97 97 GLU CB C 97 26.241 28.637 -2.396 1
1 877 . 11 1 1 A 97 97 GLU C C 97 174.813 177.503 -2.690 1
1 878 . 11 1 1 A 97 97 GLU HA H 97 4.063 4.105 -0.042 1
1 882 . 11 1 1 A 98 98 LYS H H 98 7.116 7.899 -0.783 1
1 883 . 11 1 1 A 98 98 LYS N N 98 116.241 118.197 -1.956 1
1 884 . 11 1 1 A 98 98 LYS CA C 98 52.852 56.021 -3.169 1
1 885 . 11 1 1 A 98 98 LYS CB C 98 29.959 32.172 -2.213 1
1 886 . 11 1 1 A 98 98 LYS C C 98 173.361 176.221 -2.860 1
1 887 . 11 1 1 A 98 98 LYS HA H 98 4.280 4.293 -0.013 1
1 893 . 11 1 1 A 99 99 ASN H H 99 7.842 8.287 -0.445 1
1 894 . 11 1 1 A 99 99 ASN N N 99 113.000 116.277 -3.277 1
1 895 . 11 1 1 A 99 99 ASN CA C 99 52.240 54.601 -2.361 1
1 896 . 11 1 1 A 99 99 ASN CB C 99 35.289 37.917 -2.628 1
1 897 . 11 1 1 A 99 99 ASN C C 99 170.506 174.354 -3.848 1
1 898 . 11 1 1 A 99 99 ASN HA H 99 3.772 4.320 -0.548 1
1 904 . 11 1 1 A 100 100 TRP H H 100 6.369 7.931 -1.562 1
1 905 . 11 1 1 A 100 100 TRP N N 100 116.000 120.624 -4.624 1
1 906 . 11 1 1 A 100 100 TRP CA C 100 53.179 57.710 -4.531 1
1 907 . 11 1 1 A 100 100 TRP CB C 100 28.228 30.513 -2.285 1
1 908 . 11 1 1 A 100 100 TRP C C 100 171.701 176.141 -4.440 1
1 909 . 11 1 1 A 100 100 TRP HA H 100 4.816 4.862 -0.046 1
1 912 . 11 1 1 A 101 101 PHE H H 101 8.026 9.242 -1.216 1
1 913 . 11 1 1 A 101 101 PHE N N 101 124.185 120.584 3.601 1
1 914 . 11 1 1 A 101 101 PHE CA C 101 55.472 57.215 -1.743 1
1 915 . 11 1 1 A 101 101 PHE CB C 101 39.220 41.386 -2.166 1
1 916 . 11 1 1 A 101 101 PHE C C 101 175.044 175.162 -0.118 1
1 917 . 11 1 1 A 101 101 PHE HA H 101 5.373 5.211 0.162 1
1 920 . 11 1 1 A 102 102 VAL H H 102 8.499 9.181 -0.682 1
1 921 . 11 1 1 A 102 102 VAL N N 102 120.282 123.082 -2.800 1
1 922 . 11 1 1 A 102 102 VAL CA C 102 60.975 61.398 -0.423 1
1 923 . 11 1 1 A 102 102 VAL CB C 102 30.243 32.280 -2.037 1
1 924 . 11 1 1 A 102 102 VAL C C 102 174.220 175.870 -1.650 1
1 925 . 11 1 1 A 102 102 VAL HA H 102 3.939 4.569 -0.630 1
1 930 . 11 1 1 A 103 103 GLY H H 103 8.996 8.764 0.232 1
1 931 . 11 1 1 A 103 103 GLY N N 103 114.668 115.186 -0.518 1
1 932 . 11 1 1 A 103 103 GLY CA C 103 43.802 44.382 -0.580 1
1 933 . 11 1 1 A 103 103 GLY C C 103 169.388 172.515 -3.127 1
1 934 . 11 1 1 A 103 103 GLY HA2 H 103 5.275 4.512 0.763 1
1 935 . 11 1 1 A 103 103 GLY HA3 H 103 3.180 4.805 -1.625 1
1 936 . 11 1 1 A 104 104 LEU H H 104 8.118 8.680 -0.562 1
1 937 . 11 1 1 A 104 104 LEU N N 104 119.100 120.050 -0.950 1
1 938 . 11 1 1 A 104 104 LEU CA C 104 51.207 52.653 -1.446 1
1 939 . 11 1 1 A 104 104 LEU CB C 104 43.579 46.179 -2.600 1
1 940 . 11 1 1 A 104 104 LEU C C 104 174.252 174.884 -0.632 1
1 941 . 11 1 1 A 104 104 LEU HA H 104 4.959 5.225 -0.266 1
1 950 . 11 1 1 A 105 105 LYS H H 105 8.847 8.777 0.070 1
1 951 . 11 1 1 A 105 105 LYS N N 105 118.900 121.625 -2.725 1
1 952 . 11 1 1 A 105 105 LYS CA C 105 54.035 55.324 -1.289 1
1 953 . 11 1 1 A 105 105 LYS C C 105 176.404 176.706 -0.302 1
1 954 . 11 1 1 A 105 105 LYS HA H 105 4.215 4.494 -0.279 1
1 960 . 11 1 1 A 106 106 LYS H H 106 8.980 8.570 0.410 1
1 961 . 11 1 1 A 106 106 LYS N N 106 122.172 127.045 -4.873 1
1 962 . 11 1 1 A 106 106 LYS CA C 106 57.672 58.697 -1.025 1
1 963 . 11 1 1 A 106 106 LYS CB C 106 29.780 32.470 -2.690 1
1 964 . 11 1 1 A 106 106 LYS C C 106 174.499 178.122 -3.623 1
1 965 . 11 1 1 A 106 106 LYS HA H 106 3.624 4.001 -0.377 1
1 970 . 11 1 1 A 107 107 ASN H H 107 7.352 8.088 -0.736 1
1 971 . 11 1 1 A 107 107 ASN N N 107 112.743 116.926 -4.183 1
1 972 . 11 1 1 A 107 107 ASN CA C 107 49.523 55.572 -6.049 1
1 973 . 11 1 1 A 107 107 ASN CB C 107 35.121 38.348 -3.227 1
1 974 . 11 1 1 A 107 107 ASN C C 107 174.511 176.096 -1.585 1
1 975 . 11 1 1 A 107 107 ASN HA H 107 4.678 4.461 0.217 1
1 978 . 11 1 1 A 108 108 GLY H H 108 7.656 7.674 -0.018 1
1 979 . 11 1 1 A 108 108 GLY N N 108 109.900 108.129 1.771 1
1 980 . 11 1 1 A 108 108 GLY CA C 108 42.207 45.865 -3.658 1
1 981 . 11 1 1 A 108 108 GLY C C 108 169.305 173.922 -4.617 1
1 982 . 11 1 1 A 108 108 GLY HA3 H 108 3.358 4.135 -0.777 1
1 983 . 11 1 1 A 108 108 GLY HA2 H 108 2.111 4.077 -1.966 1
1 984 . 11 1 1 A 109 109 SER H H 109 7.280 8.063 -0.783 1
1 985 . 11 1 1 A 109 109 SER N N 109 112.357 111.152 1.205 1
1 986 . 11 1 1 A 109 109 SER CA C 109 55.139 56.979 -1.840 1
1 987 . 11 1 1 A 109 109 SER CB C 109 62.749 66.204 -3.455 1
1 988 . 11 1 1 A 109 109 SER C C 109 171.244 173.334 -2.090 1
1 989 . 11 1 1 A 109 109 SER HA H 109 4.755 5.194 -0.439 1
1 992 . 11 1 1 A 110 110 CYS H H 110 9.070 8.071 0.999 1
1 993 . 11 1 1 A 110 110 CYS N N 110 119.883 120.925 -1.042 1
1 994 . 11 1 1 A 110 110 CYS CA C 110 57.858 58.368 -0.510 1
1 995 . 11 1 1 A 110 110 CYS CB C 110 37.322 27.069 10.253 1
1 996 . 11 1 1 A 110 110 CYS C C 110 172.131 174.211 -2.080 1
1 997 . 11 1 1 A 110 110 CYS HA H 110 4.296 4.792 -0.496 1
1 1000 . 11 1 1 A 111 111 LYS H H 111 8.095 8.647 -0.552 1
1 1001 . 11 1 1 A 111 111 LYS N N 111 128.642 124.471 4.171 1
1 1002 . 11 1 1 A 111 111 LYS CA C 111 52.117 54.597 -2.480 1
1 1003 . 11 1 1 A 111 111 LYS CB C 111 30.980 35.029 -4.049 1
1 1004 . 11 1 1 A 111 111 LYS C C 111 172.265 175.659 -3.394 1
1 1005 . 11 1 1 A 111 111 LYS HA H 111 4.380 4.995 -0.615 1
1 1010 . 11 1 1 A 112 112 ARG H H 112 8.566 8.917 -0.351 1
1 1011 . 11 1 1 A 112 112 ARG N N 112 124.700 125.538 -0.838 1
1 1012 . 11 1 1 A 112 112 ARG CA C 112 54.295 54.962 -0.667 1
1 1013 . 11 1 1 A 112 112 ARG CB C 112 28.927 31.157 -2.230 1
1 1014 . 11 1 1 A 112 112 ARG C C 112 175.240 178.163 -2.923 1
1 1015 . 11 1 1 A 112 112 ARG HA H 112 4.252 4.536 -0.284 1
1 1021 . 11 1 1 A 113 113 GLY H H 113 9.408 9.569 -0.161 1
1 1022 . 11 1 1 A 113 113 GLY N N 113 106.636 111.365 -4.729 1
1 1023 . 11 1 1 A 113 113 GLY CA C 113 44.552 47.421 -2.869 1
1 1024 . 11 1 1 A 113 113 GLY C C 113 169.610 175.248 -5.638 1
1 1025 . 11 1 1 A 113 113 GLY HA2 H 113 1.510 3.614 -2.104 1
1 1026 . 11 1 1 A 114 114 PRO CA C 114 62.529 65.300 -2.771 1
1 1027 . 11 1 1 A 114 114 PRO C C 114 174.543 177.119 -2.576 1
1 1028 . 11 1 1 A 114 114 PRO HA H 114 4.321 4.147 0.174 1
1 1033 . 11 1 1 A 115 115 ARG H H 115 8.067 8.191 -0.124 1
1 1034 . 11 1 1 A 115 115 ARG N N 115 114.500 115.972 -1.472 1
1 1035 . 11 1 1 A 115 115 ARG CA C 115 52.011 55.840 -3.829 1
1 1036 . 11 1 1 A 115 115 ARG CB C 115 27.143 31.601 -4.458 1
1 1037 . 11 1 1 A 115 115 ARG C C 115 174.680 175.704 -1.024 1
1 1038 . 11 1 1 A 115 115 ARG HA H 115 4.508 4.476 0.032 1
1 1043 . 11 1 1 A 116 116 THR H H 116 7.643 7.264 0.379 1
1 1044 . 11 1 1 A 116 116 THR N N 116 111.716 112.328 -0.612 1
1 1045 . 11 1 1 A 116 116 THR CA C 116 58.712 61.602 -2.890 1
1 1046 . 11 1 1 A 116 116 THR CB C 116 70.086 69.335 0.751 1
1 1047 . 11 1 1 A 116 116 THR C C 116 172.573 173.867 -1.294 1
1 1048 . 11 1 1 A 116 116 THR HA H 116 5.198 4.400 0.798 1
1 1053 . 11 1 1 A 117 117 HIS H H 117 7.091 8.277 -1.186 1
1 1054 . 11 1 1 A 117 117 HIS N N 117 112.914 122.986 -10.072 1
1 1055 . 11 1 1 A 117 117 HIS CA C 117 53.291 55.197 -1.906 1
1 1056 . 11 1 1 A 117 117 HIS CB C 117 29.133 30.981 -1.848 1
1 1057 . 11 1 1 A 117 117 HIS C C 117 170.344 171.889 -1.545 1
1 1058 . 11 1 1 A 117 117 HIS HA H 117 4.868 3.876 0.992 1
1 1061 . 11 1 1 A 118 118 TYR H H 118 9.020 8.106 0.914 1
1 1062 . 11 1 1 A 118 118 TYR N N 118 123.051 122.752 0.299 1
1 1063 . 11 1 1 A 118 118 TYR CA C 118 58.801 56.220 2.581 1
1 1064 . 11 1 1 A 118 118 TYR CB C 118 29.959 37.706 -7.747 1
1 1065 . 11 1 1 A 118 118 TYR C C 118 174.446 174.926 -0.480 1
1 1066 . 11 1 1 A 118 118 TYR HA H 118 3.897 4.429 -0.532 1
1 1069 . 11 1 1 A 119 119 GLY H H 119 7.999 8.548 -0.549 1
1 1070 . 11 1 1 A 119 119 GLY N N 119 116.885 113.092 3.793 1
1 1071 . 11 1 1 A 119 119 GLY CA C 119 42.599 45.800 -3.201 1
1 1072 . 11 1 1 A 119 119 GLY C C 119 172.439 173.700 -1.261 1
1 1073 . 11 1 1 A 119 119 GLY HA3 H 119 4.385 3.896 0.489 1
1 1074 . 11 1 1 A 119 119 GLY HA2 H 119 3.296 3.873 -0.577 1
1 1075 . 11 1 1 A 120 120 GLN H H 120 7.003 7.459 -0.456 1
1 1076 . 11 1 1 A 120 120 GLN N N 120 118.266 117.940 0.326 1
1 1077 . 11 1 1 A 120 120 GLN CA C 120 52.617 53.758 -1.141 1
1 1078 . 11 1 1 A 120 120 GLN CB C 120 27.324 32.544 -5.220 1
1 1079 . 11 1 1 A 120 120 GLN C C 120 174.995 175.542 -0.547 1
1 1080 . 11 1 1 A 120 120 GLN HA H 120 4.262 4.599 -0.337 1
1 1083 . 11 1 1 A 121 121 LYS H H 121 8.477 8.522 -0.045 1
1 1084 . 11 1 1 A 121 121 LYS N N 121 121.222 123.430 -2.208 1
1 1085 . 11 1 1 A 121 121 LYS CA C 121 56.243 57.058 -0.815 1
1 1086 . 11 1 1 A 121 121 LYS CB C 121 29.598 31.910 -2.312 1
1 1087 . 11 1 1 A 121 121 LYS C C 121 172.702 177.055 -4.353 1
1 1088 . 11 1 1 A 121 121 LYS HA H 121 3.809 4.077 -0.268 1
1 1093 . 11 1 1 A 122 122 ALA H H 122 7.526 7.520 0.006 1
1 1094 . 11 1 1 A 122 122 ALA N N 122 116.019 121.337 -5.318 1
1 1095 . 11 1 1 A 122 122 ALA CA C 122 52.338 52.847 -0.509 1
1 1096 . 11 1 1 A 122 122 ALA CB C 122 18.675 18.824 -0.149 1
1 1097 . 11 1 1 A 122 122 ALA C C 122 172.756 177.740 -4.984 1
1 1098 . 11 1 1 A 122 122 ALA HA H 122 3.947 4.144 -0.197 1
1 1102 . 11 1 1 A 123 123 ILE H H 123 5.794 7.077 -1.283 1
1 1103 . 11 1 1 A 123 123 ILE N N 123 101.200 115.455 -14.255 1
1 1104 . 11 1 1 A 123 123 ILE CA C 123 57.297 61.182 -3.885 1
1 1105 . 11 1 1 A 123 123 ILE CB C 123 35.425 37.808 -2.383 1
1 1106 . 11 1 1 A 123 123 ILE C C 123 172.790 174.548 -1.758 1
1 1107 . 11 1 1 A 123 123 ILE HA H 123 5.184 4.195 0.989 1
1 1116 . 11 1 1 A 124 124 LEU H H 124 6.716 7.187 -0.471 1
1 1117 . 11 1 1 A 124 124 LEU N N 124 121.554 122.230 -0.676 1
1 1118 . 11 1 1 A 124 124 LEU CA C 124 51.686 52.660 -0.974 1
1 1119 . 11 1 1 A 124 124 LEU CB C 124 39.622 42.414 -2.792 1
1 1120 . 11 1 1 A 124 124 LEU C C 124 173.411 175.396 -1.985 1
1 1121 . 11 1 1 A 124 124 LEU HA H 124 4.597 4.151 0.446 1
1 1130 . 11 1 1 A 125 125 PHE H H 125 9.226 8.432 0.794 1
1 1131 . 11 1 1 A 125 125 PHE N N 125 121.900 121.696 0.204 1
1 1132 . 11 1 1 A 125 125 PHE CA C 125 54.604 55.359 -0.755 1
1 1133 . 11 1 1 A 125 125 PHE CB C 125 41.692 42.345 -0.653 1
1 1134 . 11 1 1 A 125 125 PHE C C 125 172.768 174.925 -2.157 1
1 1135 . 11 1 1 A 125 125 PHE HA H 125 5.612 5.453 0.159 1
1 1138 . 11 1 1 A 126 126 LEU H H 126 9.932 9.080 0.852 1
1 1139 . 11 1 1 A 126 126 LEU N N 126 125.427 120.198 5.229 1
1 1140 . 11 1 1 A 126 126 LEU CA C 126 48.875 51.157 -2.282 1
1 1141 . 11 1 1 A 127 127 PRO CA C 127 58.907 62.183 -3.276 1
1 1142 . 11 1 1 A 127 127 PRO CB C 127 28.730 31.785 -3.055 1
1 1143 . 11 1 1 A 127 127 PRO C C 127 174.541 176.593 -2.052 1
1 1144 . 11 1 1 A 127 127 PRO HA H 127 5.587 5.152 0.435 1
1 1147 . 11 1 1 A 128 128 LEU H H 128 9.674 8.140 1.534 1
1 1148 . 11 1 1 A 128 128 LEU N N 128 129.196 118.978 10.218 1
1 1149 . 11 1 1 A 128 128 LEU CA C 128 49.523 51.420 -1.897 1
1 1150 . 11 1 1 A 128 128 LEU C C 128 175.960 175.885 0.075 1
1 1151 . 11 1 1 A 129 129 PRO CA C 129 60.043 62.207 -2.164 1
1 1152 . 11 1 1 A 129 129 PRO CB C 129 29.800 32.389 -2.589 1
1 1153 . 11 1 1 A 129 129 PRO C C 129 174.414 176.286 -1.872 1
1 1154 . 11 1 1 A 129 129 PRO HA H 129 4.710 4.684 0.026 1
1 1160 . 11 1 1 A 130 130 VAL H H 130 7.992 8.061 -0.069 1
1 1161 . 11 1 1 A 130 130 VAL N N 130 118.275 121.903 -3.628 1
1 1162 . 11 1 1 A 130 130 VAL CA C 130 61.494 62.451 -0.957 1
1 1163 . 11 1 1 A 130 130 VAL CB C 130 29.649 32.944 -3.295 1
1 1164 . 11 1 1 A 130 130 VAL C C 130 174.097 176.199 -2.102 1
1 1165 . 11 1 1 A 130 130 VAL HA H 130 3.794 4.087 -0.293 1
1 1173 . 11 1 1 A 131 131 SER H H 131 7.844 8.645 -0.801 1
1 1174 . 11 1 1 A 131 131 SER N N 131 115.853 124.735 -8.882 1
1 1175 . 11 1 1 A 131 131 SER CA C 131 55.233 58.436 -3.203 1
1 1176 . 11 1 1 A 131 131 SER CB C 131 61.375 63.968 -2.593 1
1 1177 . 11 1 1 A 131 131 SER C C 131 173.574 174.013 -0.439 1
1 1178 . 11 1 1 A 131 131 SER HA H 131 4.218 4.637 -0.419 1
1 1181 . 11 1 1 A 132 132 SER H H 132 8.196 8.866 -0.670 1
1 1182 . 11 1 1 A 132 132 SER N N 132 118.100 121.253 -3.153 1
1 1183 . 11 1 1 A 132 132 SER CA C 132 56.021 58.183 -2.162 1
1 1184 . 11 1 1 A 132 132 SER CB C 132 61.848 61.343 0.505 1
1 1185 . 11 1 1 A 132 132 SER C C 132 170.997 172.727 -1.730 1
1 1186 . 11 1 1 A 132 132 SER HA H 132 4.484 4.743 -0.259 1
1 12 . 12 1 1 A 2 2 LYS H H 2 7.955 7.917 0.038 1
1 13 . 12 1 1 A 2 2 LYS N N 2 120.000 123.522 -3.522 1
1 14 . 12 1 1 A 2 2 LYS CA C 2 51.913 55.731 -3.818 1
1 15 . 12 1 1 A 2 2 LYS C C 2 174.300 175.231 -0.931 1
1 16 . 12 1 1 A 2 2 LYS HA H 2 4.270 4.691 -0.421 1
1 18 . 12 1 1 A 3 3 LYS H H 3 7.960 8.686 -0.726 1
1 19 . 12 1 1 A 3 3 LYS N N 3 119.640 123.388 -3.748 1
1 20 . 12 1 1 A 3 3 LYS CA C 3 51.900 57.739 -5.839 1
1 21 . 12 1 1 A 3 3 LYS HA H 3 4.600 4.558 0.042 1
1 24 . 12 1 1 A 4 4 PRO CA C 4 60.687 62.220 -1.533 1
1 25 . 12 1 1 A 4 4 PRO C C 4 172.359 176.547 -4.188 1
1 26 . 12 1 1 A 4 4 PRO CB C 4 30.627 32.443 -1.816 1
1 27 . 12 1 1 A 4 4 PRO HA H 4 4.716 4.847 -0.131 1
1 29 . 12 1 1 A 5 5 LYS H H 5 9.357 8.908 0.449 1
1 30 . 12 1 1 A 5 5 LYS N N 5 119.100 121.388 -2.288 1
1 31 . 12 1 1 A 5 5 LYS CA C 5 51.445 55.364 -3.919 1
1 32 . 12 1 1 A 5 5 LYS CB C 5 34.945 34.475 0.470 1
1 33 . 12 1 1 A 5 5 LYS C C 5 171.776 175.220 -3.444 1
1 34 . 12 1 1 A 5 5 LYS HA H 5 5.062 4.785 0.277 1
1 37 . 12 1 1 A 6 6 LEU H H 6 8.944 9.148 -0.204 1
1 38 . 12 1 1 A 6 6 LEU N N 6 117.400 123.849 -6.449 1
1 39 . 12 1 1 A 6 6 LEU CA C 6 50.259 53.654 -3.395 1
1 40 . 12 1 1 A 6 6 LEU CB C 6 41.472 44.780 -3.308 1
1 41 . 12 1 1 A 6 6 LEU C C 6 174.676 175.308 -0.632 1
1 42 . 12 1 1 A 6 6 LEU HA H 6 4.984 5.079 -0.095 1
1 51 . 12 1 1 A 7 7 LEU H H 7 10.297 8.878 1.419 1
1 52 . 12 1 1 A 7 7 LEU N N 7 125.000 128.419 -3.419 1
1 53 . 12 1 1 A 7 7 LEU CA C 7 53.596 53.590 0.006 1
1 54 . 12 1 1 A 7 7 LEU C C 7 172.290 175.326 -3.036 1
1 55 . 12 1 1 A 7 7 LEU HA H 7 5.083 5.097 -0.014 1
1 65 . 12 1 1 A 8 8 TYR H H 8 8.483 9.016 -0.533 1
1 66 . 12 1 1 A 8 8 TYR N N 8 125.000 124.846 0.154 1
1 67 . 12 1 1 A 8 8 TYR CA C 8 54.761 55.772 -1.011 1
1 68 . 12 1 1 A 8 8 TYR CB C 8 37.988 40.449 -2.461 1
1 69 . 12 1 1 A 8 8 TYR C C 8 171.270 174.537 -3.267 1
1 70 . 12 1 1 A 8 8 TYR HA H 8 4.592 5.649 -1.057 1
1 73 . 12 1 1 A 9 9 CYS H H 9 9.235 9.027 0.208 1
1 74 . 12 1 1 A 9 9 CYS N N 9 130.104 125.308 4.796 1
1 75 . 12 1 1 A 9 9 CYS CA C 9 55.588 57.854 -2.266 1
1 76 . 12 1 1 A 9 9 CYS CB C 9 26.864 28.872 -2.008 1
1 77 . 12 1 1 A 9 9 CYS C C 9 172.619 173.537 -0.918 1
1 78 . 12 1 1 A 9 9 CYS HA H 9 4.163 5.037 -0.874 1
1 82 . 12 1 1 A 10 10 SER H H 10 8.173 8.524 -0.351 1
1 83 . 12 1 1 A 10 10 SER N N 10 122.600 121.189 1.411 1
1 84 . 12 1 1 A 10 10 SER CA C 10 57.853 57.508 0.345 1
1 85 . 12 1 1 A 10 10 SER CB C 10 61.820 66.738 -4.918 1
1 86 . 12 1 1 A 10 10 SER C C 10 172.210 172.135 0.075 1
1 87 . 12 1 1 A 10 10 SER HA H 10 3.920 5.321 -1.401 1
1 89 . 12 1 1 A 11 11 ASN H H 11 7.450 8.717 -1.267 1
1 90 . 12 1 1 A 11 11 ASN N N 11 119.550 123.120 -3.570 1
1 91 . 12 1 1 A 11 11 ASN CA C 11 52.430 52.652 -0.222 1
1 92 . 12 1 1 A 11 11 ASN HA H 11 4.360 4.939 -0.579 1
1 94 . 12 1 1 A 12 12 GLY C C 12 171.806 172.456 -0.650 1
1 95 . 12 1 1 A 12 12 GLY CA C 12 41.915 46.023 -4.108 1
1 96 . 12 1 1 A 12 12 GLY HA3 H 12 3.927 4.248 -0.321 1
1 97 . 12 1 1 A 12 12 GLY H H 12 7.096 8.238 -1.142 1
1 98 . 12 1 1 A 12 12 GLY N N 12 109.300 112.755 -3.455 1
1 99 . 12 1 1 A 13 13 GLY H H 13 7.096 8.257 -1.161 1
1 100 . 12 1 1 A 13 13 GLY N N 13 109.300 110.511 -1.211 1
1 101 . 12 1 1 A 13 13 GLY CA C 13 44.272 45.419 -1.147 1
1 102 . 12 1 1 A 13 13 GLY C C 13 170.445 172.149 -1.704 1
1 103 . 12 1 1 A 13 13 GLY HA2 H 13 3.598 4.012 -0.414 1
1 104 . 12 1 1 A 13 13 GLY HA3 H 13 3.204 4.072 -0.868 1
1 105 . 12 1 1 A 14 14 HIS H H 14 6.302 8.817 -2.515 1
1 106 . 12 1 1 A 14 14 HIS N N 14 113.600 122.917 -9.317 1
1 107 . 12 1 1 A 14 14 HIS CA C 14 54.319 54.252 0.067 1
1 108 . 12 1 1 A 14 14 HIS CB C 14 31.792 34.270 -2.478 1
1 109 . 12 1 1 A 14 14 HIS C C 14 171.281 173.595 -2.314 1
1 110 . 12 1 1 A 14 14 HIS HA H 14 4.104 4.740 -0.636 1
1 113 . 12 1 1 A 15 15 PHE H H 15 9.298 8.963 0.335 1
1 114 . 12 1 1 A 15 15 PHE N N 15 120.700 118.284 2.416 1
1 115 . 12 1 1 A 15 15 PHE CA C 15 54.273 56.539 -2.266 1
1 116 . 12 1 1 A 15 15 PHE CB C 15 37.632 43.104 -5.472 1
1 117 . 12 1 1 A 15 15 PHE C C 15 173.938 175.110 -1.172 1
1 118 . 12 1 1 A 15 15 PHE HA H 15 5.390 5.151 0.239 1
1 121 . 12 1 1 A 16 16 LEU H H 16 8.480 8.776 -0.296 1
1 122 . 12 1 1 A 16 16 LEU N N 16 124.700 126.028 -1.328 1
1 123 . 12 1 1 A 16 16 LEU CA C 16 54.440 54.687 -0.247 1
1 124 . 12 1 1 A 16 16 LEU C C 16 171.758 175.419 -3.661 1
1 125 . 12 1 1 A 16 16 LEU CB C 16 41.301 43.138 -1.837 1
1 126 . 12 1 1 A 16 16 LEU HA H 16 4.394 5.770 -1.376 1
1 129 . 12 1 1 A 17 17 ARG H H 17 9.339 9.472 -0.133 1
1 130 . 12 1 1 A 17 17 ARG N N 17 126.971 123.771 3.200 1
1 131 . 12 1 1 A 17 17 ARG CA C 17 53.301 54.251 -0.950 1
1 132 . 12 1 1 A 17 17 ARG CB C 17 32.620 33.919 -1.299 1
1 133 . 12 1 1 A 17 17 ARG C C 17 171.302 175.255 -3.953 1
1 134 . 12 1 1 A 17 17 ARG HA H 17 4.715 5.355 -0.640 1
1 141 . 12 1 1 A 18 18 ILE H H 18 6.989 8.765 -1.776 1
1 142 . 12 1 1 A 18 18 ILE N N 18 120.966 119.555 1.411 1
1 143 . 12 1 1 A 18 18 ILE CA C 18 57.903 60.059 -2.156 1
1 144 . 12 1 1 A 18 18 ILE C C 18 173.747 175.258 -1.511 1
1 145 . 12 1 1 A 18 18 ILE HA H 18 4.563 5.003 -0.440 1
1 150 . 12 1 1 A 19 19 LEU H H 19 8.940 8.911 0.029 1
1 151 . 12 1 1 A 19 19 LEU N N 19 128.097 126.732 1.365 1
1 152 . 12 1 1 A 19 19 LEU CA C 19 51.419 52.280 -0.861 1
1 153 . 12 1 1 A 20 20 PRO CA C 20 62.710 64.281 -1.571 1
1 154 . 12 1 1 A 20 20 PRO CB C 20 29.518 31.914 -2.396 1
1 155 . 12 1 1 A 20 20 PRO C C 20 173.966 177.399 -3.433 1
1 156 . 12 1 1 A 20 20 PRO HA H 20 4.319 4.605 -0.286 1
1 161 . 12 1 1 A 21 21 ASP H H 21 7.415 7.943 -0.528 1
1 162 . 12 1 1 A 21 21 ASP N N 21 114.000 117.876 -3.876 1
1 163 . 12 1 1 A 21 21 ASP CA C 21 51.361 54.531 -3.170 1
1 164 . 12 1 1 A 21 21 ASP CB C 21 37.419 41.462 -4.043 1
1 165 . 12 1 1 A 21 21 ASP C C 21 174.570 176.406 -1.836 1
1 166 . 12 1 1 A 21 21 ASP HA H 21 4.513 4.711 -0.198 1
1 169 . 12 1 1 A 22 22 GLY H H 22 8.404 8.238 0.166 1
1 170 . 12 1 1 A 22 22 GLY N N 22 109.100 107.739 1.361 1
1 171 . 12 1 1 A 22 22 GLY CA C 22 43.166 45.837 -2.671 1
1 172 . 12 1 1 A 22 22 GLY C C 22 172.565 174.362 -1.797 1
1 173 . 12 1 1 A 22 22 GLY HA3 H 22 4.632 4.118 0.514 1
1 174 . 12 1 1 A 22 22 GLY HA2 H 22 3.838 4.093 -0.255 1
1 175 . 12 1 1 A 23 23 THR H H 23 7.894 7.779 0.115 1
1 176 . 12 1 1 A 23 23 THR N N 23 116.800 115.086 1.714 1
1 177 . 12 1 1 A 23 23 THR CA C 23 61.304 61.628 -0.324 1
1 178 . 12 1 1 A 23 23 THR CB C 23 67.455 70.933 -3.478 1
1 179 . 12 1 1 A 23 23 THR C C 23 170.170 173.026 -2.856 1
1 180 . 12 1 1 A 23 23 THR HA H 23 4.489 4.705 -0.216 1
1 185 . 12 1 1 A 24 24 VAL H H 24 7.792 9.167 -1.375 1
1 186 . 12 1 1 A 24 24 VAL N N 24 123.100 128.012 -4.912 1
1 187 . 12 1 1 A 24 24 VAL CA C 24 58.203 60.907 -2.704 1
1 188 . 12 1 1 A 24 24 VAL CB C 24 31.847 33.466 -1.619 1
1 189 . 12 1 1 A 24 24 VAL C C 24 171.629 174.906 -3.277 1
1 190 . 12 1 1 A 24 24 VAL HA H 24 5.084 4.823 0.261 1
1 195 . 12 1 1 A 25 25 ASP H H 25 8.906 8.523 0.383 1
1 196 . 12 1 1 A 25 25 ASP N N 25 131.200 126.820 4.380 1
1 197 . 12 1 1 A 25 25 ASP CA C 25 50.847 52.462 -1.615 1
1 198 . 12 1 1 A 25 25 ASP CB C 25 38.730 44.926 -6.196 1
1 199 . 12 1 1 A 25 25 ASP C C 25 170.281 174.607 -4.326 1
1 200 . 12 1 1 A 25 25 ASP HA H 25 4.313 5.395 -1.082 1
1 203 . 12 1 1 A 26 26 GLY H H 26 7.891 8.760 -0.869 1
1 204 . 12 1 1 A 26 26 GLY N N 26 102.500 107.861 -5.361 1
1 205 . 12 1 1 A 26 26 GLY CA C 26 42.057 44.666 -2.609 1
1 206 . 12 1 1 A 26 26 GLY C C 26 169.975 173.029 -3.054 1
1 207 . 12 1 1 A 26 26 GLY HA3 H 26 5.529 4.280 1.249 1
1 208 . 12 1 1 A 26 26 GLY HA2 H 26 3.015 4.256 -1.241 1
1 209 . 12 1 1 A 27 27 THR H H 27 8.529 9.536 -1.007 1
1 210 . 12 1 1 A 27 27 THR N N 27 112.700 118.631 -5.931 1
1 211 . 12 1 1 A 27 27 THR CA C 27 56.740 61.255 -4.515 1
1 212 . 12 1 1 A 27 27 THR CB C 27 67.326 72.634 -5.308 1
1 213 . 12 1 1 A 27 27 THR C C 27 170.554 173.087 -2.533 1
1 214 . 12 1 1 A 27 27 THR HA H 27 5.189 5.067 0.122 1
1 219 . 12 1 1 A 28 28 ARG H H 28 8.993 8.321 0.672 1
1 220 . 12 1 1 A 28 28 ARG N N 28 127.500 124.617 2.883 1
1 221 . 12 1 1 A 28 28 ARG CA C 28 54.938 55.827 -0.889 1
1 222 . 12 1 1 A 28 28 ARG CB C 28 37.260 30.913 6.347 1
1 223 . 12 1 1 A 28 28 ARG C C 28 173.450 175.307 -1.857 1
1 224 . 12 1 1 A 28 28 ARG HA H 28 4.691 4.916 -0.225 1
1 227 . 12 1 1 A 29 29 ASP H H 29 8.323 8.644 -0.321 1
1 228 . 12 1 1 A 29 29 ASP N N 29 121.000 125.616 -4.616 1
1 229 . 12 1 1 A 29 29 ASP CA C 29 50.779 53.167 -2.388 1
1 230 . 12 1 1 A 29 29 ASP C C 29 172.275 175.216 -2.941 1
1 231 . 12 1 1 A 29 29 ASP HA H 29 4.661 5.311 -0.650 1
1 234 . 12 1 1 A 30 30 ARG H H 30 8.342 8.568 -0.226 1
1 235 . 12 1 1 A 30 30 ARG N N 30 126.100 120.746 5.354 1
1 236 . 12 1 1 A 30 30 ARG CA C 30 54.924 55.365 -0.441 1
1 237 . 12 1 1 A 30 30 ARG CB C 30 28.367 30.524 -2.157 1
1 238 . 12 1 1 A 30 30 ARG C C 30 173.454 176.660 -3.206 1
1 239 . 12 1 1 A 30 30 ARG HA H 30 3.592 4.651 -1.059 1
1 243 . 12 1 1 A 31 31 SER H H 31 8.379 8.119 0.260 1
1 244 . 12 1 1 A 31 31 SER N N 31 113.600 114.159 -0.559 1
1 245 . 12 1 1 A 31 31 SER CA C 31 55.918 57.985 -2.067 1
1 246 . 12 1 1 A 31 31 SER CB C 31 61.807 63.510 -1.703 1
1 247 . 12 1 1 A 31 31 SER C C 31 171.758 173.265 -1.507 1
1 248 . 12 1 1 A 31 31 SER HA H 31 4.397 4.661 -0.264 1
1 251 . 12 1 1 A 32 32 ASP H H 32 7.105 7.794 -0.689 1
1 252 . 12 1 1 A 32 32 ASP N N 32 125.000 122.524 2.476 1
1 253 . 12 1 1 A 32 32 ASP CA C 32 53.116 52.043 1.073 1
1 254 . 12 1 1 A 32 32 ASP CB C 32 41.585 43.757 -2.172 1
1 255 . 12 1 1 A 32 32 ASP C C 32 174.497 175.471 -0.974 1
1 256 . 12 1 1 A 32 32 ASP HA H 32 4.276 5.050 -0.774 1
1 259 . 12 1 1 A 33 33 GLN H H 33 8.775 8.746 0.029 1
1 260 . 12 1 1 A 33 33 GLN N N 33 124.700 121.293 3.407 1
1 261 . 12 1 1 A 33 33 GLN CA C 33 55.127 55.272 -0.145 1
1 262 . 12 1 1 A 33 33 GLN CB C 33 26.601 29.013 -2.412 1
1 263 . 12 1 1 A 33 33 GLN C C 33 174.900 176.141 -1.241 1
1 264 . 12 1 1 A 33 33 GLN HA H 33 4.061 4.713 -0.652 1
1 271 . 12 1 1 A 34 34 HIS H H 34 9.681 8.114 1.567 1
1 272 . 12 1 1 A 34 34 HIS N N 34 116.700 117.301 -0.601 1
1 273 . 12 1 1 A 34 34 HIS CA C 34 55.739 55.787 -0.048 1
1 274 . 12 1 1 A 34 34 HIS CB C 34 26.065 31.458 -5.393 1
1 275 . 12 1 1 A 34 34 HIS C C 34 172.307 175.764 -3.457 1
1 276 . 12 1 1 A 34 34 HIS HA H 34 4.885 4.804 0.081 1
1 279 . 12 1 1 A 35 35 ILE H H 35 6.711 7.685 -0.974 1
1 280 . 12 1 1 A 35 35 ILE N N 35 108.600 111.433 -2.833 1
1 281 . 12 1 1 A 35 35 ILE CA C 35 58.395 61.654 -3.259 1
1 282 . 12 1 1 A 35 35 ILE CB C 35 35.989 38.069 -2.080 1
1 283 . 12 1 1 A 35 35 ILE C C 35 172.249 176.410 -4.161 1
1 284 . 12 1 1 A 35 35 ILE HA H 35 5.114 4.607 0.507 1
1 293 . 12 1 1 A 36 36 GLN H H 36 7.148 7.862 -0.714 1
1 294 . 12 1 1 A 36 36 GLN N N 36 120.018 121.961 -1.943 1
1 295 . 12 1 1 A 36 36 GLN CA C 36 55.111 55.233 -0.122 1
1 296 . 12 1 1 A 36 36 GLN CB C 36 25.190 29.516 -4.326 1
1 297 . 12 1 1 A 36 36 GLN C C 36 172.952 175.272 -2.320 1
1 298 . 12 1 1 A 36 36 GLN HA H 36 4.261 4.701 -0.440 1
1 305 . 12 1 1 A 37 37 LEU H H 37 9.110 8.741 0.369 1
1 306 . 12 1 1 A 37 37 LEU N N 37 127.600 123.160 4.440 1
1 307 . 12 1 1 A 37 37 LEU CA C 37 51.329 52.677 -1.348 1
1 308 . 12 1 1 A 37 37 LEU CB C 37 42.165 44.926 -2.761 1
1 309 . 12 1 1 A 37 37 LEU C C 37 172.877 174.834 -1.957 1
1 310 . 12 1 1 A 37 37 LEU HA H 37 5.315 5.269 0.046 1
1 319 . 12 1 1 A 38 38 GLN H H 38 9.556 9.425 0.131 1
1 320 . 12 1 1 A 38 38 GLN N N 38 120.583 121.299 -0.716 1
1 321 . 12 1 1 A 38 38 GLN CA C 38 51.810 54.890 -3.080 1
1 322 . 12 1 1 A 38 38 GLN CB C 38 29.259 30.058 -0.799 1
1 323 . 12 1 1 A 38 38 GLN C C 38 172.676 174.605 -1.929 1
1 324 . 12 1 1 A 38 38 GLN HA H 38 4.623 4.644 -0.021 1
1 328 . 12 1 1 A 39 39 LEU H H 39 8.926 9.111 -0.185 1
1 329 . 12 1 1 A 39 39 LEU N N 39 131.700 129.681 2.019 1
1 330 . 12 1 1 A 39 39 LEU CA C 39 53.062 53.851 -0.789 1
1 331 . 12 1 1 A 39 39 LEU C C 39 174.601 175.222 -0.621 1
1 332 . 12 1 1 A 39 39 LEU HA H 39 5.506 5.291 0.215 1
1 341 . 12 1 1 A 40 40 SER H H 40 8.569 8.696 -0.127 1
1 342 . 12 1 1 A 40 40 SER N N 40 115.900 123.781 -7.881 1
1 343 . 12 1 1 A 40 40 SER CA C 40 54.925 57.503 -2.578 1
1 344 . 12 1 1 A 40 40 SER CB C 40 46.694 66.426 -19.732 1
1 345 . 12 1 1 A 40 40 SER C C 40 170.046 172.829 -2.783 1
1 346 . 12 1 1 A 40 40 SER HA H 40 4.676 5.281 -0.605 1
1 349 . 12 1 1 A 41 41 ALA H H 41 8.357 8.582 -0.225 1
1 350 . 12 1 1 A 41 41 ALA N N 41 125.900 124.699 1.201 1
1 351 . 12 1 1 A 41 41 ALA CA C 41 49.309 50.663 -1.354 1
1 352 . 12 1 1 A 41 41 ALA CB C 41 27.376 20.083 7.293 1
1 353 . 12 1 1 A 41 41 ALA C C 41 175.352 177.179 -1.827 1
1 354 . 12 1 1 A 41 41 ALA HA H 41 5.016 4.815 0.201 1
1 358 . 12 1 1 A 42 42 GLU H H 42 8.485 8.737 -0.252 1
1 359 . 12 1 1 A 42 42 GLU N N 42 125.400 123.911 1.489 1
1 360 . 12 1 1 A 42 42 GLU CA C 42 54.611 57.682 -3.071 1
1 361 . 12 1 1 A 42 42 GLU CB C 42 28.181 31.402 -3.221 1
1 362 . 12 1 1 A 42 42 GLU C C 42 174.014 176.526 -2.512 1
1 363 . 12 1 1 A 42 42 GLU HA H 42 4.444 4.521 -0.077 1
1 368 . 12 1 1 A 43 43 SER H H 43 8.020 7.991 0.029 1
1 369 . 12 1 1 A 43 43 SER N N 43 113.900 116.031 -2.131 1
1 370 . 12 1 1 A 43 43 SER CA C 43 55.014 57.370 -2.356 1
1 371 . 12 1 1 A 43 43 SER CB C 43 61.687 65.921 -4.234 1
1 372 . 12 1 1 A 43 43 SER C C 43 171.119 174.175 -3.056 1
1 373 . 12 1 1 A 43 43 SER HA H 43 4.516 4.866 -0.350 1
1 376 . 12 1 1 A 44 44 VAL H H 44 8.113 8.403 -0.290 1
1 377 . 12 1 1 A 44 44 VAL N N 44 121.100 123.686 -2.586 1
1 378 . 12 1 1 A 44 44 VAL CA C 44 62.838 65.332 -2.494 1
1 379 . 12 1 1 A 44 44 VAL CB C 44 28.991 31.137 -2.146 1
1 380 . 12 1 1 A 44 44 VAL C C 44 175.533 177.078 -1.545 1
1 381 . 12 1 1 A 44 44 VAL HA H 44 3.868 3.603 0.265 1
1 389 . 12 1 1 A 45 45 GLY H H 45 8.807 8.994 -0.187 1
1 390 . 12 1 1 A 45 45 GLY N N 45 115.545 115.208 0.337 1
1 391 . 12 1 1 A 45 45 GLY CA C 45 43.553 45.032 -1.479 1
1 392 . 12 1 1 A 45 45 GLY C C 45 170.948 174.155 -3.207 1
1 393 . 12 1 1 A 45 45 GLY HA3 H 45 4.296 4.037 0.259 1
1 394 . 12 1 1 A 45 45 GLY HA2 H 45 3.995 4.032 -0.037 1
1 395 . 12 1 1 A 46 46 GLU H H 46 7.985 7.932 0.053 1
1 396 . 12 1 1 A 46 46 GLU N N 46 121.200 118.202 2.998 1
1 397 . 12 1 1 A 46 46 GLU CA C 46 52.751 55.341 -2.590 1
1 398 . 12 1 1 A 46 46 GLU CB C 46 29.432 31.763 -2.331 1
1 399 . 12 1 1 A 46 46 GLU C C 46 173.583 175.803 -2.220 1
1 400 . 12 1 1 A 46 46 GLU HA H 46 5.442 5.068 0.374 1
1 405 . 12 1 1 A 47 47 VAL H H 47 9.560 9.219 0.341 1
1 406 . 12 1 1 A 47 47 VAL N N 47 116.400 118.322 -1.922 1
1 407 . 12 1 1 A 47 47 VAL CA C 47 56.846 59.725 -2.879 1
1 408 . 12 1 1 A 47 47 VAL CB C 47 33.714 34.770 -1.056 1
1 409 . 12 1 1 A 47 47 VAL C C 47 172.960 173.913 -0.953 1
1 410 . 12 1 1 A 47 47 VAL HA H 47 5.505 5.000 0.505 1
1 418 . 12 1 1 A 48 48 TYR H H 48 8.415 9.530 -1.115 1
1 419 . 12 1 1 A 48 48 TYR N N 48 117.400 122.325 -4.925 1
1 420 . 12 1 1 A 48 48 TYR CA C 48 54.331 56.251 -1.920 1
1 421 . 12 1 1 A 48 48 TYR CB C 48 39.296 40.645 -1.349 1
1 422 . 12 1 1 A 48 48 TYR C C 48 173.423 174.739 -1.316 1
1 423 . 12 1 1 A 48 48 TYR HA H 48 5.290 5.143 0.147 1
1 426 . 12 1 1 A 49 49 ILE H H 49 10.532 8.879 1.653 1
1 427 . 12 1 1 A 49 49 ILE N N 49 123.100 124.390 -1.290 1
1 428 . 12 1 1 A 49 49 ILE CA C 49 59.573 60.280 -0.707 1
1 429 . 12 1 1 A 49 49 ILE CB C 49 40.504 37.651 2.853 1
1 430 . 12 1 1 A 49 49 ILE C C 49 170.853 175.257 -4.404 1
1 431 . 12 1 1 A 49 49 ILE HA H 49 4.341 4.672 -0.331 1
1 438 . 12 1 1 A 50 50 LYS H H 50 8.511 8.802 -0.291 1
1 439 . 12 1 1 A 50 50 LYS N N 50 125.800 124.693 1.107 1
1 440 . 12 1 1 A 50 50 LYS CA C 50 51.179 54.344 -3.165 1
1 441 . 12 1 1 A 50 50 LYS CB C 50 34.816 36.089 -1.273 1
1 442 . 12 1 1 A 50 50 LYS C C 50 173.759 175.479 -1.720 1
1 443 . 12 1 1 A 50 50 LYS HA H 50 4.991 5.114 -0.123 1
1 451 . 12 1 1 A 51 51 SER H H 51 8.920 9.044 -0.124 1
1 452 . 12 1 1 A 51 51 SER N N 51 117.579 118.984 -1.405 1
1 453 . 12 1 1 A 51 51 SER CA C 51 55.043 59.330 -4.287 1
1 454 . 12 1 1 A 51 51 SER CB C 51 61.065 63.665 -2.600 1
1 455 . 12 1 1 A 51 51 SER C C 51 175.084 174.260 0.824 1
1 456 . 12 1 1 A 51 51 SER HA H 51 4.666 4.589 0.077 1
1 459 . 12 1 1 A 52 52 THR H H 52 8.342 8.325 0.017 1
1 460 . 12 1 1 A 52 52 THR N N 52 123.200 119.325 3.875 1
1 461 . 12 1 1 A 52 52 THR CA C 52 62.792 64.736 -1.944 1
1 462 . 12 1 1 A 52 52 THR CB C 52 65.611 68.977 -3.366 1
1 463 . 12 1 1 A 52 52 THR C C 52 173.566 175.653 -2.087 1
1 464 . 12 1 1 A 52 52 THR HA H 52 3.996 4.032 -0.036 1
1 469 . 12 1 1 A 53 53 GLU H H 53 8.312 8.238 0.074 1
1 470 . 12 1 1 A 53 53 GLU N N 53 122.000 120.677 1.323 1
1 471 . 12 1 1 A 53 53 GLU CA C 53 55.889 57.971 -2.082 1
1 472 . 12 1 1 A 53 53 GLU CB C 53 28.359 30.790 -2.431 1
1 473 . 12 1 1 A 53 53 GLU C C 53 175.327 177.803 -2.476 1
1 474 . 12 1 1 A 53 53 GLU HA H 53 4.311 4.402 -0.091 1
1 477 . 12 1 1 A 54 54 THR H H 54 7.724 7.961 -0.237 1
1 478 . 12 1 1 A 54 54 THR N N 54 103.100 110.153 -7.053 1
1 479 . 12 1 1 A 54 54 THR CA C 54 58.555 61.432 -2.877 1
1 480 . 12 1 1 A 54 54 THR CB C 54 69.030 68.904 0.126 1
1 481 . 12 1 1 A 54 54 THR C C 54 173.942 175.416 -1.474 1
1 482 . 12 1 1 A 54 54 THR HA H 54 4.681 4.546 0.135 1
1 487 . 12 1 1 A 55 55 GLY H H 55 7.643 8.101 -0.458 1
1 488 . 12 1 1 A 55 55 GLY N N 55 110.700 110.572 0.128 1
1 489 . 12 1 1 A 55 55 GLY CA C 55 43.594 45.812 -2.218 1
1 490 . 12 1 1 A 55 55 GLY HA3 H 55 4.150 3.984 0.166 1
1 491 . 12 1 1 A 55 55 GLY HA2 H 55 3.591 3.978 -0.387 1
1 492 . 12 1 1 A 55 55 GLY C C 55 170.694 174.446 -3.752 1
1 493 . 12 1 1 A 56 56 GLN H H 56 7.211 7.898 -0.687 1
1 494 . 12 1 1 A 56 56 GLN N N 56 115.700 113.060 2.640 1
1 495 . 12 1 1 A 56 56 GLN CA C 56 53.898 55.115 -1.217 1
1 496 . 12 1 1 A 56 56 GLN CB C 56 30.456 30.739 -0.283 1
1 497 . 12 1 1 A 56 56 GLN C C 56 172.141 172.671 -0.530 1
1 498 . 12 1 1 A 56 56 GLN HA H 56 4.311 4.717 -0.406 1
1 504 . 12 1 1 A 57 57 TYR H H 57 9.254 9.019 0.235 1
1 505 . 12 1 1 A 57 57 TYR N N 57 119.400 124.010 -4.610 1
1 506 . 12 1 1 A 57 57 TYR CA C 57 53.356 56.379 -3.023 1
1 507 . 12 1 1 A 57 57 TYR CB C 57 40.466 39.085 1.381 1
1 508 . 12 1 1 A 57 57 TYR C C 57 173.320 174.063 -0.743 1
1 509 . 12 1 1 A 57 57 TYR HA H 57 4.128 5.952 -1.824 1
1 512 . 12 1 1 A 58 58 LEU H H 58 9.126 8.496 0.630 1
1 513 . 12 1 1 A 58 58 LEU N N 58 123.600 129.351 -5.751 1
1 514 . 12 1 1 A 58 58 LEU CA C 58 53.256 54.667 -1.411 1
1 515 . 12 1 1 A 58 58 LEU CB C 58 40.466 42.274 -1.808 1
1 516 . 12 1 1 A 58 58 LEU C C 58 172.320 174.635 -2.315 1
1 517 . 12 1 1 A 58 58 LEU HA H 58 4.128 4.364 -0.236 1
1 524 . 12 1 1 A 59 59 ALA H H 59 8.656 8.870 -0.214 1
1 525 . 12 1 1 A 59 59 ALA N N 59 126.947 129.406 -2.459 1
1 526 . 12 1 1 A 59 59 ALA CA C 59 48.450 49.557 -1.107 1
1 527 . 12 1 1 A 59 59 ALA CB C 59 21.261 19.805 1.456 1
1 528 . 12 1 1 A 59 59 ALA C C 59 172.722 176.019 -3.297 1
1 529 . 12 1 1 A 59 59 ALA HA H 59 5.124 4.759 0.365 1
1 533 . 12 1 1 A 60 60 MET H H 60 7.521 8.502 -0.981 1
1 534 . 12 1 1 A 60 60 MET N N 60 116.602 122.586 -5.984 1
1 535 . 12 1 1 A 60 60 MET CA C 60 52.251 55.063 -2.812 1
1 536 . 12 1 1 A 60 60 MET CB C 60 35.046 33.346 1.700 1
1 537 . 12 1 1 A 60 60 MET C C 60 173.753 175.112 -1.359 1
1 538 . 12 1 1 A 60 60 MET HA H 60 5.527 4.560 0.967 1
1 543 . 12 1 1 A 61 61 ASP H H 61 9.159 8.515 0.644 1
1 544 . 12 1 1 A 61 61 ASP N N 61 128.445 124.141 4.304 1
1 545 . 12 1 1 A 61 61 ASP CA C 61 51.480 52.214 -0.734 1
1 546 . 12 1 1 A 61 61 ASP CB C 61 39.346 41.249 -1.903 1
1 547 . 12 1 1 A 61 61 ASP C C 61 175.800 175.988 -0.188 1
1 548 . 12 1 1 A 61 61 ASP HA H 61 5.046 5.045 0.001 1
1 551 . 12 1 1 A 62 62 THR H H 62 7.972 8.707 -0.735 1
1 552 . 12 1 1 A 62 62 THR N N 62 107.806 119.292 -11.486 1
1 553 . 12 1 1 A 62 62 THR CA C 62 62.626 64.119 -1.493 1
1 554 . 12 1 1 A 62 62 THR CB C 62 66.955 67.664 -0.709 1
1 555 . 12 1 1 A 62 62 THR C C 62 172.355 173.230 -0.875 1
1 556 . 12 1 1 A 62 62 THR HA H 62 4.134 4.262 -0.128 1
1 561 . 12 1 1 A 63 63 ASP H H 63 8.333 8.482 -0.149 1
1 562 . 12 1 1 A 63 63 ASP N N 63 119.831 121.202 -1.371 1
1 563 . 12 1 1 A 63 63 ASP CA C 63 51.865 53.681 -1.816 1
1 564 . 12 1 1 A 63 63 ASP CB C 63 39.182 42.481 -3.299 1
1 565 . 12 1 1 A 63 63 ASP C C 63 174.438 177.524 -3.086 1
1 566 . 12 1 1 A 63 63 ASP HA H 63 4.964 4.944 0.020 1
1 569 . 12 1 1 A 64 64 GLY H H 64 8.264 8.259 0.005 1
1 570 . 12 1 1 A 64 64 GLY N N 64 109.142 108.442 0.700 1
1 571 . 12 1 1 A 64 64 GLY CA C 64 42.923 45.614 -2.691 1
1 572 . 12 1 1 A 64 64 GLY C C 64 171.248 174.276 -3.028 1
1 573 . 12 1 1 A 64 64 GLY HA3 H 64 3.652 4.113 -0.461 1
1 574 . 12 1 1 A 64 64 GLY HA2 H 64 3.397 3.999 -0.602 1
1 575 . 12 1 1 A 65 65 LEU H H 65 8.636 7.758 0.878 1
1 576 . 12 1 1 A 65 65 LEU N N 65 123.137 120.226 2.911 1
1 577 . 12 1 1 A 65 65 LEU CA C 65 52.224 54.700 -2.476 1
1 578 . 12 1 1 A 65 65 LEU CB C 65 40.557 45.645 -5.088 1
1 579 . 12 1 1 A 65 65 LEU C C 65 174.507 173.885 0.622 1
1 580 . 12 1 1 A 65 65 LEU HA H 65 4.529 4.879 -0.350 1
1 590 . 12 1 1 A 66 66 LEU H H 66 7.431 8.802 -1.371 1
1 591 . 12 1 1 A 66 66 LEU N N 66 124.493 128.042 -3.549 1
1 592 . 12 1 1 A 66 66 LEU CA C 66 51.635 53.278 -1.643 1
1 593 . 12 1 1 A 66 66 LEU CB C 66 40.474 43.226 -2.752 1
1 594 . 12 1 1 A 66 66 LEU C C 66 174.070 175.557 -1.487 1
1 595 . 12 1 1 A 66 66 LEU HA H 66 5.714 4.957 0.757 1
1 605 . 12 1 1 A 67 67 TYR H H 67 9.237 8.681 0.556 1
1 606 . 12 1 1 A 67 67 TYR N N 67 120.360 122.646 -2.286 1
1 607 . 12 1 1 A 67 67 TYR CA C 67 54.076 55.038 -0.962 1
1 608 . 12 1 1 A 67 67 TYR CB C 67 38.903 42.049 -3.146 1
1 609 . 12 1 1 A 67 67 TYR C C 67 169.640 174.033 -4.393 1
1 610 . 12 1 1 A 67 67 TYR HA H 67 5.023 5.904 -0.881 1
1 612 . 12 1 1 A 68 68 GLY H H 68 8.928 8.487 0.441 1
1 613 . 12 1 1 A 68 68 GLY N N 68 105.646 106.566 -0.920 1
1 614 . 12 1 1 A 68 68 GLY CA C 68 41.569 45.821 -4.252 1
1 615 . 12 1 1 A 68 68 GLY C C 68 170.551 173.019 -2.468 1
1 616 . 12 1 1 A 68 68 GLY HA2 H 68 4.676 4.162 0.514 1
1 617 . 12 1 1 A 69 69 SER H H 69 9.608 8.998 0.610 1
1 618 . 12 1 1 A 69 69 SER N N 69 120.100 117.203 2.897 1
1 619 . 12 1 1 A 69 69 SER CA C 69 53.737 59.444 -5.707 1
1 620 . 12 1 1 A 69 69 SER CB C 69 63.042 65.345 -2.303 1
1 621 . 12 1 1 A 69 69 SER C C 69 174.219 175.581 -1.362 1
1 622 . 12 1 1 A 69 69 SER HA H 69 4.966 4.777 0.189 1
1 625 . 12 1 1 A 70 70 GLN H H 70 9.343 8.362 0.981 1
1 626 . 12 1 1 A 70 70 GLN N N 70 127.339 118.086 9.253 1
1 627 . 12 1 1 A 70 70 GLN CA C 70 56.139 57.743 -1.604 1
1 628 . 12 1 1 A 70 70 GLN CB C 70 27.092 28.364 -1.272 1
1 629 . 12 1 1 A 70 70 GLN C C 70 173.241 175.844 -2.603 1
1 630 . 12 1 1 A 70 70 GLN HA H 70 4.286 4.301 -0.015 1
1 638 . 12 1 1 A 71 71 THR H H 71 7.532 8.125 -0.593 1
1 639 . 12 1 1 A 71 71 THR N N 71 108.100 109.706 -1.606 1
1 640 . 12 1 1 A 71 71 THR CA C 71 55.203 58.953 -3.750 1
1 641 . 12 1 1 A 71 71 THR HA H 71 4.780 4.930 -0.150 1
1 643 . 12 1 1 A 72 72 PRO CA C 72 60.050 62.181 -2.131 1
1 644 . 12 1 1 A 72 72 PRO CB C 72 26.678 30.957 -4.279 1
1 645 . 12 1 1 A 72 72 PRO C C 72 172.920 176.354 -3.434 1
1 646 . 12 1 1 A 72 72 PRO HA H 72 4.173 5.084 -0.911 1
1 649 . 12 1 1 A 73 73 ASN H H 73 7.321 9.183 -1.862 1
1 650 . 12 1 1 A 73 73 ASN N N 73 119.200 121.688 -2.488 1
1 651 . 12 1 1 A 73 73 ASN CA C 73 49.994 52.322 -2.328 1
1 652 . 12 1 1 A 74 74 GLU H H 74 9.030 8.624 0.406 1
1 653 . 12 1 1 A 74 74 GLU CA C 74 57.131 55.523 1.608 1
1 654 . 12 1 1 A 74 74 GLU CB C 74 27.005 30.499 -3.494 1
1 655 . 12 1 1 A 74 74 GLU C C 74 176.352 176.373 -0.021 1
1 656 . 12 1 1 A 74 74 GLU HA H 74 4.130 4.783 -0.653 1
1 661 . 12 1 1 A 75 75 GLU H H 75 8.574 8.834 -0.260 1
1 662 . 12 1 1 A 75 75 GLU N N 75 119.200 121.996 -2.796 1
1 663 . 12 1 1 A 75 75 GLU CA C 75 56.343 57.067 -0.724 1
1 664 . 12 1 1 A 75 75 GLU CB C 75 26.028 32.165 -6.137 1
1 665 . 12 1 1 A 75 75 GLU C C 75 173.866 177.380 -3.514 1
1 666 . 12 1 1 A 75 75 GLU HA H 75 4.206 4.558 -0.352 1
1 671 . 12 1 1 A 76 76 CYS H H 76 7.727 7.613 0.114 1
1 672 . 12 1 1 A 76 76 CYS N N 76 113.800 116.507 -2.707 1
1 673 . 12 1 1 A 76 76 CYS CA C 76 55.635 59.212 -3.577 1
1 674 . 12 1 1 A 76 76 CYS CB C 76 26.036 27.794 -1.758 1
1 675 . 12 1 1 A 76 76 CYS C C 76 170.849 174.097 -3.248 1
1 676 . 12 1 1 A 76 76 CYS HA H 76 5.426 3.999 1.427 1
1 679 . 12 1 1 A 77 77 LEU H H 77 6.241 7.071 -0.830 1
1 680 . 12 1 1 A 77 77 LEU N N 77 118.069 119.296 -1.227 1
1 681 . 12 1 1 A 77 77 LEU CA C 77 51.793 54.013 -2.220 1
1 682 . 12 1 1 A 77 77 LEU CB C 77 42.123 41.914 0.209 1
1 683 . 12 1 1 A 77 77 LEU C C 77 173.882 176.040 -2.158 1
1 684 . 12 1 1 A 77 77 LEU HA H 77 4.555 3.764 0.791 1
1 694 . 12 1 1 A 78 78 PHE H H 78 9.067 8.440 0.627 1
1 695 . 12 1 1 A 78 78 PHE N N 78 122.377 120.391 1.986 1
1 696 . 12 1 1 A 78 78 PHE CA C 78 54.917 56.254 -1.337 1
1 697 . 12 1 1 A 78 78 PHE CB C 78 40.597 43.382 -2.785 1
1 698 . 12 1 1 A 78 78 PHE C C 78 171.853 174.875 -3.022 1
1 699 . 12 1 1 A 78 78 PHE HA H 78 5.169 5.103 0.066 1
1 702 . 12 1 1 A 79 79 LEU H H 79 9.958 9.200 0.758 1
1 703 . 12 1 1 A 79 79 LEU N N 79 122.126 122.882 -0.756 1
1 704 . 12 1 1 A 79 79 LEU CA C 79 51.232 54.177 -2.945 1
1 705 . 12 1 1 A 79 79 LEU CB C 79 38.511 44.456 -5.945 1
1 706 . 12 1 1 A 79 79 LEU C C 79 173.055 176.249 -3.194 1
1 707 . 12 1 1 A 79 79 LEU HA H 79 4.686 5.136 -0.450 1
1 713 . 12 1 1 A 80 80 GLU H H 80 8.347 8.696 -0.349 1
1 714 . 12 1 1 A 80 80 GLU N N 80 126.300 124.789 1.511 1
1 715 . 12 1 1 A 80 80 GLU CA C 80 52.558 55.691 -3.133 1
1 716 . 12 1 1 A 80 80 GLU CB C 80 30.892 30.554 0.338 1
1 717 . 12 1 1 A 80 80 GLU C C 80 173.355 175.239 -1.884 1
1 718 . 12 1 1 A 80 80 GLU HA H 80 4.832 5.007 -0.175 1
1 721 . 12 1 1 A 81 81 ARG H H 81 8.840 8.800 0.040 1
1 722 . 12 1 1 A 81 81 ARG N N 81 129.522 124.467 5.055 1
1 723 . 12 1 1 A 81 81 ARG CA C 81 52.288 54.406 -2.118 1
1 724 . 12 1 1 A 81 81 ARG CB C 81 38.588 33.834 4.754 1
1 725 . 12 1 1 A 81 81 ARG C C 81 172.258 174.325 -2.067 1
1 726 . 12 1 1 A 81 81 ARG HA H 81 4.659 5.119 -0.460 1
1 732 . 12 1 1 A 82 82 LEU H H 82 8.347 8.939 -0.592 1
1 733 . 12 1 1 A 82 82 LEU N N 82 125.700 128.602 -2.902 1
1 734 . 12 1 1 A 82 82 LEU CA C 82 52.631 53.549 -0.918 1
1 735 . 12 1 1 A 82 82 LEU CB C 82 40.304 43.135 -2.831 1
1 736 . 12 1 1 A 82 82 LEU C C 82 174.567 175.839 -1.272 1
1 737 . 12 1 1 A 82 82 LEU HA H 82 4.875 5.000 -0.125 1
1 744 . 12 1 1 A 83 83 GLU H H 83 9.064 8.845 0.219 1
1 745 . 12 1 1 A 83 83 GLU N N 83 125.600 125.197 0.403 1
1 746 . 12 1 1 A 83 83 GLU CA C 83 51.723 56.101 -4.378 1
1 747 . 12 1 1 A 83 83 GLU CB C 83 43.703 31.313 12.390 1
1 748 . 12 1 1 A 83 83 GLU C C 83 174.885 177.803 -2.918 1
1 749 . 12 1 1 A 83 83 GLU HA H 83 4.974 4.574 0.400 1
1 752 . 12 1 1 A 84 84 GLU H H 84 8.806 8.709 0.097 1
1 753 . 12 1 1 A 84 84 GLU N N 84 120.300 122.838 -2.538 1
1 754 . 12 1 1 A 84 84 GLU CA C 84 55.553 57.575 -2.022 1
1 755 . 12 1 1 A 84 84 GLU CB C 84 27.117 30.493 -3.376 1
1 756 . 12 1 1 A 84 84 GLU C C 84 174.261 176.831 -2.570 1
1 757 . 12 1 1 A 84 84 GLU HA H 84 4.112 4.165 -0.053 1
1 761 . 12 1 1 A 85 85 ASN H H 85 8.429 7.981 0.448 1
1 762 . 12 1 1 A 85 85 ASN N N 85 114.800 117.510 -2.710 1
1 763 . 12 1 1 A 85 85 ASN CA C 85 51.788 52.840 -1.052 1
1 764 . 12 1 1 A 85 85 ASN CB C 85 35.301 38.508 -3.207 1
1 765 . 12 1 1 A 85 85 ASN C C 85 172.203 173.746 -1.543 1
1 766 . 12 1 1 A 85 85 ASN HA H 85 4.343 4.854 -0.511 1
1 769 . 12 1 1 A 86 86 HIS H H 86 8.081 7.807 0.274 1
1 770 . 12 1 1 A 86 86 HIS N N 86 108.737 114.404 -5.667 1
1 771 . 12 1 1 A 86 86 HIS CA C 86 55.255 56.793 -1.538 1
1 772 . 12 1 1 A 86 86 HIS CB C 86 24.858 26.559 -1.701 1
1 773 . 12 1 1 A 86 86 HIS C C 86 171.039 173.556 -2.517 1
1 774 . 12 1 1 A 86 86 HIS HA H 86 4.260 4.063 0.197 1
1 777 . 12 1 1 A 87 87 TYR H H 87 7.592 7.754 -0.162 1
1 778 . 12 1 1 A 87 87 TYR N N 87 117.738 118.663 -0.925 1
1 779 . 12 1 1 A 87 87 TYR CA C 87 56.163 57.570 -1.407 1
1 780 . 12 1 1 A 87 87 TYR CB C 87 38.643 40.747 -2.104 1
1 781 . 12 1 1 A 87 87 TYR C C 87 171.983 174.853 -2.870 1
1 782 . 12 1 1 A 87 87 TYR HA H 87 4.836 4.717 0.119 1
1 784 . 12 1 1 A 88 88 ASN H H 88 9.840 8.960 0.880 1
1 785 . 12 1 1 A 88 88 ASN N N 88 118.891 121.286 -2.395 1
1 786 . 12 1 1 A 88 88 ASN CA C 88 50.063 52.095 -2.032 1
1 787 . 12 1 1 A 88 88 ASN CB C 88 40.242 40.959 -0.717 1
1 788 . 12 1 1 A 88 88 ASN C C 88 172.471 174.227 -1.756 1
1 789 . 12 1 1 A 88 88 ASN HA H 88 5.837 5.371 0.466 1
1 795 . 12 1 1 A 89 89 THR H H 89 8.380 8.994 -0.614 1
1 796 . 12 1 1 A 89 89 THR N N 89 108.521 119.231 -10.710 1
1 797 . 12 1 1 A 89 89 THR CA C 89 57.357 60.875 -3.518 1
1 798 . 12 1 1 A 89 89 THR CB C 89 70.868 72.125 -1.257 1
1 799 . 12 1 1 A 89 89 THR C C 89 170.548 172.809 -2.261 1
1 800 . 12 1 1 A 89 89 THR HA H 89 5.127 5.431 -0.304 1
1 805 . 12 1 1 A 90 90 TYR H H 90 10.247 8.884 1.363 1
1 806 . 12 1 1 A 90 90 TYR N N 90 119.000 123.513 -4.513 1
1 807 . 12 1 1 A 90 90 TYR CA C 90 55.106 56.213 -1.107 1
1 808 . 12 1 1 A 90 90 TYR CB C 90 39.047 40.997 -1.950 1
1 809 . 12 1 1 A 90 90 TYR C C 90 172.442 174.806 -2.364 1
1 810 . 12 1 1 A 90 90 TYR HA H 90 5.472 5.127 0.345 1
1 812 . 12 1 1 A 91 91 ILE H H 91 8.781 9.553 -0.772 1
1 813 . 12 1 1 A 91 91 ILE N N 91 122.546 124.599 -2.053 1
1 814 . 12 1 1 A 91 91 ILE CA C 91 56.346 60.320 -3.974 1
1 815 . 12 1 1 A 91 91 ILE CB C 91 36.627 40.199 -3.572 1
1 816 . 12 1 1 A 91 91 ILE C C 91 172.924 175.250 -2.326 1
1 817 . 12 1 1 A 91 91 ILE HA H 91 4.673 4.719 -0.046 1
1 826 . 12 1 1 A 92 92 SER H H 92 8.191 8.438 -0.247 1
1 827 . 12 1 1 A 92 92 SER N N 92 120.200 119.045 1.155 1
1 828 . 12 1 1 A 92 92 SER CA C 92 55.781 57.207 -1.426 1
1 829 . 12 1 1 A 92 92 SER CB C 92 62.382 63.469 -1.087 1
1 830 . 12 1 1 A 92 92 SER C C 92 172.863 174.725 -1.862 1
1 831 . 12 1 1 A 92 92 SER HA H 92 4.016 5.058 -1.042 1
1 833 . 12 1 1 A 93 93 LYS H H 93 7.993 8.696 -0.703 1
1 834 . 12 1 1 A 93 93 LYS N N 93 130.618 126.476 4.142 1
1 835 . 12 1 1 A 93 93 LYS CA C 93 57.942 58.692 -0.750 1
1 836 . 12 1 1 A 93 93 LYS CB C 93 30.889 32.433 -1.544 1
1 837 . 12 1 1 A 93 93 LYS C C 93 176.938 178.414 -1.476 1
1 838 . 12 1 1 A 93 93 LYS HA H 93 3.779 4.154 -0.375 1
1 844 . 12 1 1 A 94 94 LYS H H 94 8.616 8.386 0.230 1
1 845 . 12 1 1 A 94 94 LYS N N 94 120.044 117.502 2.542 1
1 846 . 12 1 1 A 94 94 LYS CA C 94 55.868 58.959 -3.091 1
1 847 . 12 1 1 A 94 94 LYS CB C 94 30.329 32.127 -1.798 1
1 848 . 12 1 1 A 94 94 LYS C C 94 174.491 177.577 -3.086 1
1 849 . 12 1 1 A 94 94 LYS HA H 94 3.851 4.039 -0.188 1
1 856 . 12 1 1 A 95 95 HIS H H 95 7.249 7.627 -0.378 1
1 857 . 12 1 1 A 95 95 HIS N N 95 114.486 117.791 -3.305 1
1 858 . 12 1 1 A 95 95 HIS CA C 95 51.180 54.286 -3.106 1
1 859 . 12 1 1 A 95 95 HIS CB C 95 26.844 27.960 -1.116 1
1 860 . 12 1 1 A 95 95 HIS C C 95 173.734 175.952 -2.218 1
1 861 . 12 1 1 A 95 95 HIS HA H 95 4.604 5.069 -0.465 1
1 864 . 12 1 1 A 96 96 ALA H H 96 7.104 7.852 -0.748 1
1 865 . 12 1 1 A 96 96 ALA N N 96 125.204 123.697 1.507 1
1 866 . 12 1 1 A 96 96 ALA CA C 96 53.758 55.058 -1.300 1
1 867 . 12 1 1 A 96 96 ALA CB C 96 16.578 18.680 -2.102 1
1 868 . 12 1 1 A 96 96 ALA C C 96 178.508 179.675 -1.167 1
1 869 . 12 1 1 A 96 96 ALA HA H 96 4.131 3.820 0.311 1
1 873 . 12 1 1 A 97 97 GLU H H 97 8.857 8.584 0.273 1
1 874 . 12 1 1 A 97 97 GLU N N 97 118.007 116.380 1.627 1
1 875 . 12 1 1 A 97 97 GLU CA C 97 56.153 59.148 -2.995 1
1 876 . 12 1 1 A 97 97 GLU CB C 97 26.241 29.002 -2.761 1
1 877 . 12 1 1 A 97 97 GLU C C 97 174.813 177.985 -3.172 1
1 878 . 12 1 1 A 97 97 GLU HA H 97 4.063 4.085 -0.022 1
1 882 . 12 1 1 A 98 98 LYS H H 98 7.116 7.638 -0.522 1
1 883 . 12 1 1 A 98 98 LYS N N 98 116.241 119.165 -2.924 1
1 884 . 12 1 1 A 98 98 LYS CA C 98 52.852 56.232 -3.380 1
1 885 . 12 1 1 A 98 98 LYS CB C 98 29.959 32.856 -2.897 1
1 886 . 12 1 1 A 98 98 LYS C C 98 173.361 176.107 -2.746 1
1 887 . 12 1 1 A 98 98 LYS HA H 98 4.280 4.349 -0.069 1
1 893 . 12 1 1 A 99 99 ASN H H 99 7.842 7.992 -0.150 1
1 894 . 12 1 1 A 99 99 ASN N N 99 113.000 115.142 -2.142 1
1 895 . 12 1 1 A 99 99 ASN CA C 99 52.240 54.719 -2.479 1
1 896 . 12 1 1 A 99 99 ASN CB C 99 35.289 36.970 -1.681 1
1 897 . 12 1 1 A 99 99 ASN C C 99 170.506 174.531 -4.025 1
1 898 . 12 1 1 A 99 99 ASN HA H 99 3.772 4.339 -0.567 1
1 904 . 12 1 1 A 100 100 TRP H H 100 6.369 7.337 -0.968 1
1 905 . 12 1 1 A 100 100 TRP N N 100 116.000 119.645 -3.645 1
1 906 . 12 1 1 A 100 100 TRP CA C 100 53.179 57.665 -4.486 1
1 907 . 12 1 1 A 100 100 TRP CB C 100 28.228 30.264 -2.036 1
1 908 . 12 1 1 A 100 100 TRP C C 100 171.701 175.787 -4.086 1
1 909 . 12 1 1 A 100 100 TRP HA H 100 4.816 4.773 0.043 1
1 912 . 12 1 1 A 101 101 PHE H H 101 8.026 8.973 -0.947 1
1 913 . 12 1 1 A 101 101 PHE N N 101 124.185 119.036 5.149 1
1 914 . 12 1 1 A 101 101 PHE CA C 101 55.472 56.342 -0.870 1
1 915 . 12 1 1 A 101 101 PHE CB C 101 39.220 42.341 -3.121 1
1 916 . 12 1 1 A 101 101 PHE C C 101 175.044 175.333 -0.289 1
1 917 . 12 1 1 A 101 101 PHE HA H 101 5.373 5.220 0.153 1
1 920 . 12 1 1 A 102 102 VAL H H 102 8.499 8.566 -0.067 1
1 921 . 12 1 1 A 102 102 VAL N N 102 120.282 123.264 -2.982 1
1 922 . 12 1 1 A 102 102 VAL CA C 102 60.975 61.546 -0.571 1
1 923 . 12 1 1 A 102 102 VAL CB C 102 30.243 31.302 -1.059 1
1 924 . 12 1 1 A 102 102 VAL C C 102 174.220 175.666 -1.446 1
1 925 . 12 1 1 A 102 102 VAL HA H 102 3.939 4.339 -0.400 1
1 930 . 12 1 1 A 103 103 GLY H H 103 8.996 8.808 0.188 1
1 931 . 12 1 1 A 103 103 GLY N N 103 114.668 115.677 -1.009 1
1 932 . 12 1 1 A 103 103 GLY CA C 103 43.802 44.100 -0.298 1
1 933 . 12 1 1 A 103 103 GLY C C 103 169.388 172.046 -2.658 1
1 934 . 12 1 1 A 103 103 GLY HA2 H 103 5.275 4.250 1.025 1
1 935 . 12 1 1 A 103 103 GLY HA3 H 103 3.180 4.572 -1.392 1
1 936 . 12 1 1 A 104 104 LEU H H 104 8.118 8.516 -0.398 1
1 937 . 12 1 1 A 104 104 LEU N N 104 119.100 124.464 -5.364 1
1 938 . 12 1 1 A 104 104 LEU CA C 104 51.207 53.665 -2.458 1
1 939 . 12 1 1 A 104 104 LEU CB C 104 43.579 45.815 -2.236 1
1 940 . 12 1 1 A 104 104 LEU C C 104 174.252 174.440 -0.188 1
1 941 . 12 1 1 A 104 104 LEU HA H 104 4.959 5.025 -0.066 1
1 950 . 12 1 1 A 105 105 LYS H H 105 8.847 8.336 0.511 1
1 951 . 12 1 1 A 105 105 LYS N N 105 118.900 127.295 -8.395 1
1 952 . 12 1 1 A 105 105 LYS CA C 105 54.035 55.378 -1.343 1
1 953 . 12 1 1 A 105 105 LYS C C 105 176.404 176.891 -0.487 1
1 954 . 12 1 1 A 105 105 LYS HA H 105 4.215 4.420 -0.205 1
1 960 . 12 1 1 A 106 106 LYS H H 106 8.980 8.561 0.419 1
1 961 . 12 1 1 A 106 106 LYS N N 106 122.172 124.633 -2.461 1
1 962 . 12 1 1 A 106 106 LYS CA C 106 57.672 58.550 -0.878 1
1 963 . 12 1 1 A 106 106 LYS CB C 106 29.780 31.896 -2.116 1
1 964 . 12 1 1 A 106 106 LYS C C 106 174.499 178.624 -4.125 1
1 965 . 12 1 1 A 106 106 LYS HA H 106 3.624 4.078 -0.454 1
1 970 . 12 1 1 A 107 107 ASN H H 107 7.352 7.770 -0.418 1
1 971 . 12 1 1 A 107 107 ASN N N 107 112.743 118.431 -5.688 1
1 972 . 12 1 1 A 107 107 ASN CA C 107 49.523 55.144 -5.621 1
1 973 . 12 1 1 A 107 107 ASN CB C 107 35.121 38.074 -2.953 1
1 974 . 12 1 1 A 107 107 ASN C C 107 174.511 176.509 -1.998 1
1 975 . 12 1 1 A 107 107 ASN HA H 107 4.678 4.175 0.503 1
1 978 . 12 1 1 A 108 108 GLY H H 108 7.656 7.753 -0.097 1
1 979 . 12 1 1 A 108 108 GLY N N 108 109.900 107.619 2.281 1
1 980 . 12 1 1 A 108 108 GLY CA C 108 42.207 45.648 -3.441 1
1 981 . 12 1 1 A 108 108 GLY C C 108 169.305 173.930 -4.625 1
1 982 . 12 1 1 A 108 108 GLY HA3 H 108 3.358 3.994 -0.636 1
1 983 . 12 1 1 A 108 108 GLY HA2 H 108 2.111 3.963 -1.852 1
1 984 . 12 1 1 A 109 109 SER H H 109 7.280 7.869 -0.589 1
1 985 . 12 1 1 A 109 109 SER N N 109 112.357 110.613 1.744 1
1 986 . 12 1 1 A 109 109 SER CA C 109 55.139 57.651 -2.512 1
1 987 . 12 1 1 A 109 109 SER CB C 109 62.749 65.671 -2.922 1
1 988 . 12 1 1 A 109 109 SER C C 109 171.244 172.120 -0.876 1
1 989 . 12 1 1 A 109 109 SER HA H 109 4.755 4.883 -0.128 1
1 992 . 12 1 1 A 110 110 CYS H H 110 9.070 8.723 0.347 1
1 993 . 12 1 1 A 110 110 CYS N N 110 119.883 121.490 -1.607 1
1 994 . 12 1 1 A 110 110 CYS CA C 110 57.858 57.829 0.029 1
1 995 . 12 1 1 A 110 110 CYS CB C 110 37.322 28.021 9.301 1
1 996 . 12 1 1 A 110 110 CYS C C 110 172.131 173.536 -1.405 1
1 997 . 12 1 1 A 110 110 CYS HA H 110 4.296 4.811 -0.515 1
1 1000 . 12 1 1 A 111 111 LYS H H 111 8.095 9.076 -0.981 1
1 1001 . 12 1 1 A 111 111 LYS N N 111 128.642 125.926 2.716 1
1 1002 . 12 1 1 A 111 111 LYS CA C 111 52.117 55.093 -2.976 1
1 1003 . 12 1 1 A 111 111 LYS CB C 111 30.980 34.389 -3.409 1
1 1004 . 12 1 1 A 111 111 LYS C C 111 172.265 175.248 -2.983 1
1 1005 . 12 1 1 A 111 111 LYS HA H 111 4.380 5.088 -0.708 1
1 1010 . 12 1 1 A 112 112 ARG H H 112 8.566 8.667 -0.101 1
1 1011 . 12 1 1 A 112 112 ARG N N 112 124.700 124.307 0.393 1
1 1012 . 12 1 1 A 112 112 ARG CA C 112 54.295 54.598 -0.303 1
1 1013 . 12 1 1 A 112 112 ARG CB C 112 28.927 31.419 -2.492 1
1 1014 . 12 1 1 A 112 112 ARG C C 112 175.240 175.693 -0.453 1
1 1015 . 12 1 1 A 112 112 ARG HA H 112 4.252 4.738 -0.486 1
1 1021 . 12 1 1 A 113 113 GLY H H 113 9.408 8.302 1.106 1
1 1022 . 12 1 1 A 113 113 GLY N N 113 106.636 112.414 -5.778 1
1 1023 . 12 1 1 A 113 113 GLY CA C 113 44.552 46.365 -1.813 1
1 1024 . 12 1 1 A 113 113 GLY C C 113 169.610 174.541 -4.931 1
1 1025 . 12 1 1 A 113 113 GLY HA2 H 113 1.510 3.209 -1.699 1
1 1026 . 12 1 1 A 114 114 PRO CA C 114 62.529 64.661 -2.132 1
1 1027 . 12 1 1 A 114 114 PRO C C 114 174.543 176.851 -2.308 1
1 1028 . 12 1 1 A 114 114 PRO HA H 114 4.321 4.291 0.030 1
1 1033 . 12 1 1 A 115 115 ARG H H 115 8.067 7.780 0.287 1
1 1034 . 12 1 1 A 115 115 ARG N N 115 114.500 116.541 -2.041 1
1 1035 . 12 1 1 A 115 115 ARG CA C 115 52.011 55.755 -3.744 1
1 1036 . 12 1 1 A 115 115 ARG CB C 115 27.143 31.322 -4.179 1
1 1037 . 12 1 1 A 115 115 ARG C C 115 174.680 175.371 -0.691 1
1 1038 . 12 1 1 A 115 115 ARG HA H 115 4.508 4.194 0.314 1
1 1043 . 12 1 1 A 116 116 THR H H 116 7.643 6.887 0.756 1
1 1044 . 12 1 1 A 116 116 THR N N 116 111.716 111.840 -0.124 1
1 1045 . 12 1 1 A 116 116 THR CA C 116 58.712 61.740 -3.028 1
1 1046 . 12 1 1 A 116 116 THR CB C 116 70.086 69.329 0.757 1
1 1047 . 12 1 1 A 116 116 THR C C 116 172.573 174.016 -1.443 1
1 1048 . 12 1 1 A 116 116 THR HA H 116 5.198 4.120 1.078 1
1 1053 . 12 1 1 A 117 117 HIS H H 117 7.091 8.136 -1.045 1
1 1054 . 12 1 1 A 117 117 HIS N N 117 112.914 118.712 -5.798 1
1 1055 . 12 1 1 A 117 117 HIS CA C 117 53.291 54.717 -1.426 1
1 1056 . 12 1 1 A 117 117 HIS CB C 117 29.133 31.085 -1.952 1
1 1057 . 12 1 1 A 117 117 HIS C C 117 170.344 171.342 -0.998 1
1 1058 . 12 1 1 A 117 117 HIS HA H 117 4.868 4.211 0.657 1
1 1061 . 12 1 1 A 118 118 TYR H H 118 9.020 8.870 0.150 1
1 1062 . 12 1 1 A 118 118 TYR N N 118 123.051 120.681 2.370 1
1 1063 . 12 1 1 A 118 118 TYR CA C 118 58.801 56.595 2.206 1
1 1064 . 12 1 1 A 118 118 TYR CB C 118 29.959 37.859 -7.900 1
1 1065 . 12 1 1 A 118 118 TYR C C 118 174.446 175.282 -0.836 1
1 1066 . 12 1 1 A 118 118 TYR HA H 118 3.897 4.482 -0.585 1
1 1069 . 12 1 1 A 119 119 GLY H H 119 7.999 8.652 -0.653 1
1 1070 . 12 1 1 A 119 119 GLY N N 119 116.885 113.126 3.759 1
1 1071 . 12 1 1 A 119 119 GLY CA C 119 42.599 45.510 -2.911 1
1 1072 . 12 1 1 A 119 119 GLY C C 119 172.439 173.893 -1.454 1
1 1073 . 12 1 1 A 119 119 GLY HA3 H 119 4.385 3.840 0.545 1
1 1074 . 12 1 1 A 119 119 GLY HA2 H 119 3.296 3.545 -0.249 1
1 1075 . 12 1 1 A 120 120 GLN H H 120 7.003 7.403 -0.400 1
1 1076 . 12 1 1 A 120 120 GLN N N 120 118.266 118.997 -0.731 1
1 1077 . 12 1 1 A 120 120 GLN CA C 120 52.617 53.917 -1.300 1
1 1078 . 12 1 1 A 120 120 GLN CB C 120 27.324 31.947 -4.623 1
1 1079 . 12 1 1 A 120 120 GLN C C 120 174.995 174.367 0.628 1
1 1080 . 12 1 1 A 120 120 GLN HA H 120 4.262 4.661 -0.399 1
1 1083 . 12 1 1 A 121 121 LYS H H 121 8.477 8.448 0.029 1
1 1084 . 12 1 1 A 121 121 LYS N N 121 121.222 125.351 -4.129 1
1 1085 . 12 1 1 A 121 121 LYS CA C 121 56.243 56.886 -0.643 1
1 1086 . 12 1 1 A 121 121 LYS CB C 121 29.598 31.659 -2.061 1
1 1087 . 12 1 1 A 121 121 LYS C C 121 172.702 176.951 -4.249 1
1 1088 . 12 1 1 A 121 121 LYS HA H 121 3.809 4.138 -0.329 1
1 1093 . 12 1 1 A 122 122 ALA H H 122 7.526 7.563 -0.037 1
1 1094 . 12 1 1 A 122 122 ALA N N 122 116.019 122.138 -6.119 1
1 1095 . 12 1 1 A 122 122 ALA CA C 122 52.338 53.673 -1.335 1
1 1096 . 12 1 1 A 122 122 ALA CB C 122 18.675 18.182 0.493 1
1 1097 . 12 1 1 A 122 122 ALA C C 122 172.756 177.390 -4.634 1
1 1098 . 12 1 1 A 122 122 ALA HA H 122 3.947 4.015 -0.068 1
1 1102 . 12 1 1 A 123 123 ILE H H 123 5.794 6.887 -1.093 1
1 1103 . 12 1 1 A 123 123 ILE N N 123 101.200 113.897 -12.697 1
1 1104 . 12 1 1 A 123 123 ILE CA C 123 57.297 60.735 -3.438 1
1 1105 . 12 1 1 A 123 123 ILE CB C 123 35.425 37.557 -2.132 1
1 1106 . 12 1 1 A 123 123 ILE C C 123 172.790 174.725 -1.935 1
1 1107 . 12 1 1 A 123 123 ILE HA H 123 5.184 3.847 1.337 1
1 1116 . 12 1 1 A 124 124 LEU H H 124 6.716 6.836 -0.120 1
1 1117 . 12 1 1 A 124 124 LEU N N 124 121.554 122.984 -1.430 1
1 1118 . 12 1 1 A 124 124 LEU CA C 124 51.686 53.206 -1.520 1
1 1119 . 12 1 1 A 124 124 LEU CB C 124 39.622 41.160 -1.538 1
1 1120 . 12 1 1 A 124 124 LEU C C 124 173.411 174.764 -1.353 1
1 1121 . 12 1 1 A 124 124 LEU HA H 124 4.597 4.290 0.307 1
1 1130 . 12 1 1 A 125 125 PHE H H 125 9.226 9.027 0.199 1
1 1131 . 12 1 1 A 125 125 PHE N N 125 121.900 124.540 -2.640 1
1 1132 . 12 1 1 A 125 125 PHE CA C 125 54.604 56.955 -2.351 1
1 1133 . 12 1 1 A 125 125 PHE CB C 125 41.692 40.703 0.989 1
1 1134 . 12 1 1 A 125 125 PHE C C 125 172.768 174.541 -1.773 1
1 1135 . 12 1 1 A 125 125 PHE HA H 125 5.612 5.044 0.568 1
1 1138 . 12 1 1 A 126 126 LEU H H 126 9.932 8.664 1.268 1
1 1139 . 12 1 1 A 126 126 LEU N N 126 125.427 124.340 1.087 1
1 1140 . 12 1 1 A 126 126 LEU CA C 126 48.875 50.997 -2.122 1
1 1141 . 12 1 1 A 127 127 PRO CA C 127 58.907 62.186 -3.279 1
1 1142 . 12 1 1 A 127 127 PRO CB C 127 28.730 31.878 -3.148 1
1 1143 . 12 1 1 A 127 127 PRO C C 127 174.541 176.004 -1.463 1
1 1144 . 12 1 1 A 127 127 PRO HA H 127 5.587 5.420 0.167 1
1 1147 . 12 1 1 A 128 128 LEU H H 128 9.674 8.805 0.869 1
1 1148 . 12 1 1 A 128 128 LEU N N 128 129.196 125.132 4.064 1
1 1149 . 12 1 1 A 128 128 LEU CA C 128 49.523 51.797 -2.274 1
1 1150 . 12 1 1 A 128 128 LEU C C 128 175.960 175.670 0.290 1
1 1151 . 12 1 1 A 129 129 PRO CA C 129 60.043 62.221 -2.178 1
1 1152 . 12 1 1 A 129 129 PRO CB C 129 29.800 32.509 -2.709 1
1 1153 . 12 1 1 A 129 129 PRO C C 129 174.414 176.402 -1.988 1
1 1154 . 12 1 1 A 129 129 PRO HA H 129 4.710 4.872 -0.162 1
1 1160 . 12 1 1 A 130 130 VAL H H 130 7.992 8.198 -0.206 1
1 1161 . 12 1 1 A 130 130 VAL N N 130 118.275 120.908 -2.633 1
1 1162 . 12 1 1 A 130 130 VAL CA C 130 61.494 62.779 -1.285 1
1 1163 . 12 1 1 A 130 130 VAL CB C 130 29.649 32.126 -2.477 1
1 1164 . 12 1 1 A 130 130 VAL C C 130 174.097 176.283 -2.186 1
1 1165 . 12 1 1 A 130 130 VAL HA H 130 3.794 4.084 -0.290 1
1 1173 . 12 1 1 A 131 131 SER H H 131 7.844 8.568 -0.724 1
1 1174 . 12 1 1 A 131 131 SER N N 131 115.853 122.657 -6.804 1
1 1175 . 12 1 1 A 131 131 SER CA C 131 55.233 58.088 -2.855 1
1 1176 . 12 1 1 A 131 131 SER CB C 131 61.375 63.732 -2.357 1
1 1177 . 12 1 1 A 131 131 SER C C 131 173.574 173.421 0.153 1
1 1178 . 12 1 1 A 131 131 SER HA H 131 4.218 4.675 -0.457 1
1 1181 . 12 1 1 A 132 132 SER H H 132 8.196 8.779 -0.583 1
1 1182 . 12 1 1 A 132 132 SER N N 132 118.100 124.641 -6.541 1
1 1183 . 12 1 1 A 132 132 SER CA C 132 56.021 57.950 -1.929 1
1 1184 . 12 1 1 A 132 132 SER CB C 132 61.848 61.224 0.624 1
1 1185 . 12 1 1 A 132 132 SER C C 132 170.997 172.675 -1.678 1
1 1186 . 12 1 1 A 132 132 SER HA H 132 4.484 4.752 -0.268 1
1 12 . 13 1 1 A 2 2 LYS H H 2 7.955 9.013 -1.058 1
1 13 . 13 1 1 A 2 2 LYS N N 2 120.000 120.712 -0.712 1
1 14 . 13 1 1 A 2 2 LYS CA C 2 51.913 55.004 -3.091 1
1 15 . 13 1 1 A 2 2 LYS C C 2 174.300 178.023 -3.723 1
1 16 . 13 1 1 A 2 2 LYS HA H 2 4.270 4.646 -0.376 1
1 18 . 13 1 1 A 3 3 LYS H H 3 7.960 8.781 -0.821 1
1 19 . 13 1 1 A 3 3 LYS N N 3 119.640 122.449 -2.809 1
1 20 . 13 1 1 A 3 3 LYS CA C 3 51.900 61.052 -9.152 1
1 21 . 13 1 1 A 3 3 LYS HA H 3 4.600 4.292 0.308 1
1 24 . 13 1 1 A 4 4 PRO CA C 4 60.687 63.227 -2.540 1
1 25 . 13 1 1 A 4 4 PRO C C 4 172.359 176.829 -4.470 1
1 26 . 13 1 1 A 4 4 PRO CB C 4 30.627 31.846 -1.219 1
1 27 . 13 1 1 A 4 4 PRO HA H 4 4.716 4.522 0.194 1
1 29 . 13 1 1 A 5 5 LYS H H 5 9.357 9.226 0.131 1
1 30 . 13 1 1 A 5 5 LYS N N 5 119.100 121.183 -2.083 1
1 31 . 13 1 1 A 5 5 LYS CA C 5 51.445 55.183 -3.738 1
1 32 . 13 1 1 A 5 5 LYS CB C 5 34.945 34.778 0.167 1
1 33 . 13 1 1 A 5 5 LYS C C 5 171.776 175.311 -3.535 1
1 34 . 13 1 1 A 5 5 LYS HA H 5 5.062 4.811 0.251 1
1 37 . 13 1 1 A 6 6 LEU H H 6 8.944 9.089 -0.145 1
1 38 . 13 1 1 A 6 6 LEU N N 6 117.400 123.748 -6.348 1
1 39 . 13 1 1 A 6 6 LEU CA C 6 50.259 53.656 -3.397 1
1 40 . 13 1 1 A 6 6 LEU CB C 6 41.472 44.645 -3.173 1
1 41 . 13 1 1 A 6 6 LEU C C 6 174.676 175.584 -0.908 1
1 42 . 13 1 1 A 6 6 LEU HA H 6 4.984 5.018 -0.034 1
1 51 . 13 1 1 A 7 7 LEU H H 7 10.297 8.921 1.376 1
1 52 . 13 1 1 A 7 7 LEU N N 7 125.000 127.438 -2.438 1
1 53 . 13 1 1 A 7 7 LEU CA C 7 53.596 53.727 -0.131 1
1 54 . 13 1 1 A 7 7 LEU C C 7 172.290 175.307 -3.017 1
1 55 . 13 1 1 A 7 7 LEU HA H 7 5.083 5.001 0.082 1
1 65 . 13 1 1 A 8 8 TYR H H 8 8.483 8.760 -0.277 1
1 66 . 13 1 1 A 8 8 TYR N N 8 125.000 128.591 -3.591 1
1 67 . 13 1 1 A 8 8 TYR CA C 8 54.761 55.800 -1.039 1
1 68 . 13 1 1 A 8 8 TYR CB C 8 37.988 40.083 -2.095 1
1 69 . 13 1 1 A 8 8 TYR C C 8 171.270 174.118 -2.848 1
1 70 . 13 1 1 A 8 8 TYR HA H 8 4.592 5.336 -0.744 1
1 73 . 13 1 1 A 9 9 CYS H H 9 9.235 8.817 0.418 1
1 74 . 13 1 1 A 9 9 CYS N N 9 130.104 125.776 4.328 1
1 75 . 13 1 1 A 9 9 CYS CA C 9 55.588 57.630 -2.042 1
1 76 . 13 1 1 A 9 9 CYS CB C 9 26.864 27.599 -0.735 1
1 77 . 13 1 1 A 9 9 CYS C C 9 172.619 172.685 -0.066 1
1 78 . 13 1 1 A 9 9 CYS HA H 9 4.163 5.207 -1.044 1
1 82 . 13 1 1 A 10 10 SER H H 10 8.173 8.199 -0.026 1
1 83 . 13 1 1 A 10 10 SER N N 10 122.600 120.470 2.130 1
1 84 . 13 1 1 A 10 10 SER CA C 10 57.853 56.349 1.504 1
1 85 . 13 1 1 A 10 10 SER CB C 10 61.820 65.565 -3.745 1
1 86 . 13 1 1 A 10 10 SER C C 10 172.210 171.868 0.342 1
1 87 . 13 1 1 A 10 10 SER HA H 10 3.920 4.900 -0.980 1
1 89 . 13 1 1 A 11 11 ASN H H 11 7.450 8.581 -1.131 1
1 90 . 13 1 1 A 11 11 ASN N N 11 119.550 122.858 -3.308 1
1 91 . 13 1 1 A 11 11 ASN CA C 11 52.430 52.529 -0.099 1
1 92 . 13 1 1 A 11 11 ASN HA H 11 4.360 4.885 -0.525 1
1 94 . 13 1 1 A 12 12 GLY C C 12 171.806 172.445 -0.639 1
1 95 . 13 1 1 A 12 12 GLY CA C 12 41.915 45.864 -3.949 1
1 96 . 13 1 1 A 12 12 GLY HA3 H 12 3.927 4.179 -0.252 1
1 97 . 13 1 1 A 12 12 GLY H H 12 7.096 7.899 -0.803 1
1 98 . 13 1 1 A 12 12 GLY N N 12 109.300 112.547 -3.247 1
1 99 . 13 1 1 A 13 13 GLY H H 13 7.096 8.141 -1.045 1
1 100 . 13 1 1 A 13 13 GLY N N 13 109.300 110.270 -0.970 1
1 101 . 13 1 1 A 13 13 GLY CA C 13 44.272 45.605 -1.333 1
1 102 . 13 1 1 A 13 13 GLY C C 13 170.445 172.188 -1.743 1
1 103 . 13 1 1 A 13 13 GLY HA2 H 13 3.598 4.212 -0.614 1
1 104 . 13 1 1 A 13 13 GLY HA3 H 13 3.204 4.387 -1.183 1
1 105 . 13 1 1 A 14 14 HIS H H 14 6.302 8.710 -2.408 1
1 106 . 13 1 1 A 14 14 HIS N N 14 113.600 122.221 -8.621 1
1 107 . 13 1 1 A 14 14 HIS CA C 14 54.319 54.191 0.128 1
1 108 . 13 1 1 A 14 14 HIS CB C 14 31.792 33.963 -2.171 1
1 109 . 13 1 1 A 14 14 HIS C C 14 171.281 173.715 -2.434 1
1 110 . 13 1 1 A 14 14 HIS HA H 14 4.104 4.805 -0.701 1
1 113 . 13 1 1 A 15 15 PHE H H 15 9.298 9.125 0.173 1
1 114 . 13 1 1 A 15 15 PHE N N 15 120.700 117.842 2.858 1
1 115 . 13 1 1 A 15 15 PHE CA C 15 54.273 56.101 -1.828 1
1 116 . 13 1 1 A 15 15 PHE CB C 15 37.632 42.294 -4.662 1
1 117 . 13 1 1 A 15 15 PHE C C 15 173.938 174.219 -0.281 1
1 118 . 13 1 1 A 15 15 PHE HA H 15 5.390 5.158 0.232 1
1 121 . 13 1 1 A 16 16 LEU H H 16 8.480 8.708 -0.228 1
1 122 . 13 1 1 A 16 16 LEU N N 16 124.700 125.880 -1.180 1
1 123 . 13 1 1 A 16 16 LEU CA C 16 54.440 54.371 0.069 1
1 124 . 13 1 1 A 16 16 LEU C C 16 171.758 176.018 -4.260 1
1 125 . 13 1 1 A 16 16 LEU CB C 16 41.301 43.778 -2.477 1
1 126 . 13 1 1 A 16 16 LEU HA H 16 4.394 5.396 -1.002 1
1 129 . 13 1 1 A 17 17 ARG H H 17 9.339 9.378 -0.039 1
1 130 . 13 1 1 A 17 17 ARG N N 17 126.971 124.485 2.486 1
1 131 . 13 1 1 A 17 17 ARG CA C 17 53.301 54.312 -1.011 1
1 132 . 13 1 1 A 17 17 ARG CB C 17 32.620 33.874 -1.254 1
1 133 . 13 1 1 A 17 17 ARG C C 17 171.302 175.136 -3.834 1
1 134 . 13 1 1 A 17 17 ARG HA H 17 4.715 5.109 -0.394 1
1 141 . 13 1 1 A 18 18 ILE H H 18 6.989 8.027 -1.038 1
1 142 . 13 1 1 A 18 18 ILE N N 18 120.966 118.845 2.121 1
1 143 . 13 1 1 A 18 18 ILE CA C 18 57.903 59.951 -2.048 1
1 144 . 13 1 1 A 18 18 ILE C C 18 173.747 174.538 -0.791 1
1 145 . 13 1 1 A 18 18 ILE HA H 18 4.563 5.090 -0.527 1
1 150 . 13 1 1 A 19 19 LEU H H 19 8.940 9.067 -0.127 1
1 151 . 13 1 1 A 19 19 LEU N N 19 128.097 125.300 2.797 1
1 152 . 13 1 1 A 19 19 LEU CA C 19 51.419 51.166 0.253 1
1 153 . 13 1 1 A 20 20 PRO CA C 20 62.710 64.003 -1.293 1
1 154 . 13 1 1 A 20 20 PRO CB C 20 29.518 32.205 -2.687 1
1 155 . 13 1 1 A 20 20 PRO C C 20 173.966 177.280 -3.314 1
1 156 . 13 1 1 A 20 20 PRO HA H 20 4.319 4.735 -0.416 1
1 161 . 13 1 1 A 21 21 ASP H H 21 7.415 7.905 -0.490 1
1 162 . 13 1 1 A 21 21 ASP N N 21 114.000 118.461 -4.461 1
1 163 . 13 1 1 A 21 21 ASP CA C 21 51.361 54.671 -3.310 1
1 164 . 13 1 1 A 21 21 ASP CB C 21 37.419 41.452 -4.033 1
1 165 . 13 1 1 A 21 21 ASP C C 21 174.570 176.278 -1.708 1
1 166 . 13 1 1 A 21 21 ASP HA H 21 4.513 4.696 -0.183 1
1 169 . 13 1 1 A 22 22 GLY H H 22 8.404 8.213 0.191 1
1 170 . 13 1 1 A 22 22 GLY N N 22 109.100 107.439 1.661 1
1 171 . 13 1 1 A 22 22 GLY CA C 22 43.166 45.355 -2.189 1
1 172 . 13 1 1 A 22 22 GLY C C 22 172.565 174.124 -1.559 1
1 173 . 13 1 1 A 22 22 GLY HA3 H 22 4.632 4.182 0.450 1
1 174 . 13 1 1 A 22 22 GLY HA2 H 22 3.838 4.146 -0.308 1
1 175 . 13 1 1 A 23 23 THR H H 23 7.894 7.525 0.369 1
1 176 . 13 1 1 A 23 23 THR N N 23 116.800 115.161 1.639 1
1 177 . 13 1 1 A 23 23 THR CA C 23 61.304 61.346 -0.042 1
1 178 . 13 1 1 A 23 23 THR CB C 23 67.455 71.285 -3.830 1
1 179 . 13 1 1 A 23 23 THR C C 23 170.170 172.932 -2.762 1
1 180 . 13 1 1 A 23 23 THR HA H 23 4.489 4.844 -0.355 1
1 185 . 13 1 1 A 24 24 VAL H H 24 7.792 8.920 -1.128 1
1 186 . 13 1 1 A 24 24 VAL N N 24 123.100 126.066 -2.966 1
1 187 . 13 1 1 A 24 24 VAL CA C 24 58.203 60.255 -2.052 1
1 188 . 13 1 1 A 24 24 VAL CB C 24 31.847 34.065 -2.218 1
1 189 . 13 1 1 A 24 24 VAL C C 24 171.629 173.961 -2.332 1
1 190 . 13 1 1 A 24 24 VAL HA H 24 5.084 5.210 -0.126 1
1 195 . 13 1 1 A 25 25 ASP H H 25 8.906 8.663 0.243 1
1 196 . 13 1 1 A 25 25 ASP N N 25 131.200 126.115 5.085 1
1 197 . 13 1 1 A 25 25 ASP CA C 25 50.847 52.274 -1.427 1
1 198 . 13 1 1 A 25 25 ASP CB C 25 38.730 44.638 -5.908 1
1 199 . 13 1 1 A 25 25 ASP C C 25 170.281 175.081 -4.800 1
1 200 . 13 1 1 A 25 25 ASP HA H 25 4.313 5.255 -0.942 1
1 203 . 13 1 1 A 26 26 GLY H H 26 7.891 8.310 -0.419 1
1 204 . 13 1 1 A 26 26 GLY N N 26 102.500 106.960 -4.460 1
1 205 . 13 1 1 A 26 26 GLY CA C 26 42.057 45.246 -3.189 1
1 206 . 13 1 1 A 26 26 GLY C C 26 169.975 172.811 -2.836 1
1 207 . 13 1 1 A 26 26 GLY HA3 H 26 5.529 3.975 1.554 1
1 208 . 13 1 1 A 26 26 GLY HA2 H 26 3.015 3.925 -0.910 1
1 209 . 13 1 1 A 27 27 THR H H 27 8.529 9.116 -0.587 1
1 210 . 13 1 1 A 27 27 THR N N 27 112.700 118.065 -5.365 1
1 211 . 13 1 1 A 27 27 THR CA C 27 56.740 60.702 -3.962 1
1 212 . 13 1 1 A 27 27 THR CB C 27 67.326 72.464 -5.138 1
1 213 . 13 1 1 A 27 27 THR C C 27 170.554 173.004 -2.450 1
1 214 . 13 1 1 A 27 27 THR HA H 27 5.189 4.404 0.785 1
1 219 . 13 1 1 A 28 28 ARG H H 28 8.993 8.325 0.668 1
1 220 . 13 1 1 A 28 28 ARG N N 28 127.500 123.800 3.700 1
1 221 . 13 1 1 A 28 28 ARG CA C 28 54.938 55.976 -1.038 1
1 222 . 13 1 1 A 28 28 ARG CB C 28 37.260 30.670 6.590 1
1 223 . 13 1 1 A 28 28 ARG C C 28 173.450 175.082 -1.632 1
1 224 . 13 1 1 A 28 28 ARG HA H 28 4.691 4.723 -0.032 1
1 227 . 13 1 1 A 29 29 ASP H H 29 8.323 9.024 -0.701 1
1 228 . 13 1 1 A 29 29 ASP N N 29 121.000 124.503 -3.503 1
1 229 . 13 1 1 A 29 29 ASP CA C 29 50.779 52.991 -2.212 1
1 230 . 13 1 1 A 29 29 ASP C C 29 172.275 175.215 -2.940 1
1 231 . 13 1 1 A 29 29 ASP HA H 29 4.661 5.281 -0.620 1
1 234 . 13 1 1 A 30 30 ARG H H 30 8.342 9.025 -0.683 1
1 235 . 13 1 1 A 30 30 ARG N N 30 126.100 123.121 2.979 1
1 236 . 13 1 1 A 30 30 ARG CA C 30 54.924 55.675 -0.751 1
1 237 . 13 1 1 A 30 30 ARG CB C 30 28.367 29.738 -1.371 1
1 238 . 13 1 1 A 30 30 ARG C C 30 173.454 175.394 -1.940 1
1 239 . 13 1 1 A 30 30 ARG HA H 30 3.592 4.402 -0.810 1
1 243 . 13 1 1 A 31 31 SER H H 31 8.379 7.684 0.695 1
1 244 . 13 1 1 A 31 31 SER N N 31 113.600 113.350 0.250 1
1 245 . 13 1 1 A 31 31 SER CA C 31 55.918 59.107 -3.189 1
1 246 . 13 1 1 A 31 31 SER CB C 31 61.807 61.567 0.240 1
1 247 . 13 1 1 A 31 31 SER C C 31 171.758 173.546 -1.788 1
1 248 . 13 1 1 A 31 31 SER HA H 31 4.397 3.959 0.438 1
1 251 . 13 1 1 A 32 32 ASP H H 32 7.105 7.866 -0.761 1
1 252 . 13 1 1 A 32 32 ASP N N 32 125.000 120.534 4.466 1
1 253 . 13 1 1 A 32 32 ASP CA C 32 53.116 52.464 0.652 1
1 254 . 13 1 1 A 32 32 ASP CB C 32 41.585 43.047 -1.462 1
1 255 . 13 1 1 A 32 32 ASP C C 32 174.497 176.293 -1.796 1
1 256 . 13 1 1 A 32 32 ASP HA H 32 4.276 4.679 -0.403 1
1 259 . 13 1 1 A 33 33 GLN H H 33 8.775 8.344 0.431 1
1 260 . 13 1 1 A 33 33 GLN N N 33 124.700 122.498 2.202 1
1 261 . 13 1 1 A 33 33 GLN CA C 33 55.127 56.817 -1.690 1
1 262 . 13 1 1 A 33 33 GLN CB C 33 26.601 28.156 -1.555 1
1 263 . 13 1 1 A 33 33 GLN C C 33 174.900 176.148 -1.248 1
1 264 . 13 1 1 A 33 33 GLN HA H 33 4.061 4.234 -0.173 1
1 271 . 13 1 1 A 34 34 HIS H H 34 9.681 7.909 1.772 1
1 272 . 13 1 1 A 34 34 HIS N N 34 116.700 116.927 -0.227 1
1 273 . 13 1 1 A 34 34 HIS CA C 34 55.739 56.540 -0.801 1
1 274 . 13 1 1 A 34 34 HIS CB C 34 26.065 31.638 -5.573 1
1 275 . 13 1 1 A 34 34 HIS C C 34 172.307 176.189 -3.882 1
1 276 . 13 1 1 A 34 34 HIS HA H 34 4.885 4.774 0.111 1
1 279 . 13 1 1 A 35 35 ILE H H 35 6.711 7.838 -1.127 1
1 280 . 13 1 1 A 35 35 ILE N N 35 108.600 118.439 -9.839 1
1 281 . 13 1 1 A 35 35 ILE CA C 35 58.395 61.231 -2.836 1
1 282 . 13 1 1 A 35 35 ILE CB C 35 35.989 37.664 -1.675 1
1 283 . 13 1 1 A 35 35 ILE C C 35 172.249 175.925 -3.676 1
1 284 . 13 1 1 A 35 35 ILE HA H 35 5.114 4.181 0.933 1
1 293 . 13 1 1 A 36 36 GLN H H 36 7.148 7.846 -0.698 1
1 294 . 13 1 1 A 36 36 GLN N N 36 120.018 120.130 -0.112 1
1 295 . 13 1 1 A 36 36 GLN CA C 36 55.111 55.146 -0.035 1
1 296 . 13 1 1 A 36 36 GLN CB C 36 25.190 29.100 -3.910 1
1 297 . 13 1 1 A 36 36 GLN C C 36 172.952 175.222 -2.270 1
1 298 . 13 1 1 A 36 36 GLN HA H 36 4.261 4.661 -0.400 1
1 305 . 13 1 1 A 37 37 LEU H H 37 9.110 8.737 0.373 1
1 306 . 13 1 1 A 37 37 LEU N N 37 127.600 123.484 4.116 1
1 307 . 13 1 1 A 37 37 LEU CA C 37 51.329 52.976 -1.647 1
1 308 . 13 1 1 A 37 37 LEU CB C 37 42.165 44.735 -2.570 1
1 309 . 13 1 1 A 37 37 LEU C C 37 172.877 175.050 -2.173 1
1 310 . 13 1 1 A 37 37 LEU HA H 37 5.315 5.141 0.174 1
1 319 . 13 1 1 A 38 38 GLN H H 38 9.556 9.326 0.230 1
1 320 . 13 1 1 A 38 38 GLN N N 38 120.583 122.617 -2.034 1
1 321 . 13 1 1 A 38 38 GLN CA C 38 51.810 55.036 -3.226 1
1 322 . 13 1 1 A 38 38 GLN CB C 38 29.259 29.464 -0.205 1
1 323 . 13 1 1 A 38 38 GLN C C 38 172.676 174.838 -2.162 1
1 324 . 13 1 1 A 38 38 GLN HA H 38 4.623 4.615 0.008 1
1 328 . 13 1 1 A 39 39 LEU H H 39 8.926 9.274 -0.348 1
1 329 . 13 1 1 A 39 39 LEU N N 39 131.700 130.587 1.113 1
1 330 . 13 1 1 A 39 39 LEU CA C 39 53.062 53.894 -0.832 1
1 331 . 13 1 1 A 39 39 LEU C C 39 174.601 175.504 -0.903 1
1 332 . 13 1 1 A 39 39 LEU HA H 39 5.506 4.931 0.575 1
1 341 . 13 1 1 A 40 40 SER H H 40 8.569 8.737 -0.168 1
1 342 . 13 1 1 A 40 40 SER N N 40 115.900 122.496 -6.596 1
1 343 . 13 1 1 A 40 40 SER CA C 40 54.925 57.523 -2.598 1
1 344 . 13 1 1 A 40 40 SER CB C 40 46.694 66.409 -19.715 1
1 345 . 13 1 1 A 40 40 SER C C 40 170.046 172.848 -2.802 1
1 346 . 13 1 1 A 40 40 SER HA H 40 4.676 5.282 -0.606 1
1 349 . 13 1 1 A 41 41 ALA H H 41 8.357 8.593 -0.236 1
1 350 . 13 1 1 A 41 41 ALA N N 41 125.900 125.019 0.881 1
1 351 . 13 1 1 A 41 41 ALA CA C 41 49.309 50.699 -1.390 1
1 352 . 13 1 1 A 41 41 ALA CB C 41 27.376 20.043 7.333 1
1 353 . 13 1 1 A 41 41 ALA C C 41 175.352 177.174 -1.822 1
1 354 . 13 1 1 A 41 41 ALA HA H 41 5.016 5.164 -0.148 1
1 358 . 13 1 1 A 42 42 GLU H H 42 8.485 8.787 -0.302 1
1 359 . 13 1 1 A 42 42 GLU N N 42 125.400 126.840 -1.440 1
1 360 . 13 1 1 A 42 42 GLU CA C 42 54.611 57.612 -3.001 1
1 361 . 13 1 1 A 42 42 GLU CB C 42 28.181 31.343 -3.162 1
1 362 . 13 1 1 A 42 42 GLU C C 42 174.014 175.906 -1.892 1
1 363 . 13 1 1 A 42 42 GLU HA H 42 4.444 4.463 -0.019 1
1 368 . 13 1 1 A 43 43 SER H H 43 8.020 7.983 0.037 1
1 369 . 13 1 1 A 43 43 SER N N 43 113.900 115.054 -1.154 1
1 370 . 13 1 1 A 43 43 SER CA C 43 55.014 57.212 -2.198 1
1 371 . 13 1 1 A 43 43 SER CB C 43 61.687 65.716 -4.029 1
1 372 . 13 1 1 A 43 43 SER C C 43 171.119 174.624 -3.505 1
1 373 . 13 1 1 A 43 43 SER HA H 43 4.516 4.813 -0.297 1
1 376 . 13 1 1 A 44 44 VAL H H 44 8.113 8.314 -0.201 1
1 377 . 13 1 1 A 44 44 VAL N N 44 121.100 123.381 -2.281 1
1 378 . 13 1 1 A 44 44 VAL CA C 44 62.838 65.434 -2.596 1
1 379 . 13 1 1 A 44 44 VAL CB C 44 28.991 31.230 -2.239 1
1 380 . 13 1 1 A 44 44 VAL C C 44 175.533 177.151 -1.618 1
1 381 . 13 1 1 A 44 44 VAL HA H 44 3.868 3.569 0.299 1
1 389 . 13 1 1 A 45 45 GLY H H 45 8.807 8.911 -0.104 1
1 390 . 13 1 1 A 45 45 GLY N N 45 115.545 115.120 0.425 1
1 391 . 13 1 1 A 45 45 GLY CA C 45 43.553 44.951 -1.398 1
1 392 . 13 1 1 A 45 45 GLY C C 45 170.948 173.980 -3.032 1
1 393 . 13 1 1 A 45 45 GLY HA3 H 45 4.296 4.044 0.252 1
1 394 . 13 1 1 A 45 45 GLY HA2 H 45 3.995 4.040 -0.045 1
1 395 . 13 1 1 A 46 46 GLU H H 46 7.985 7.753 0.232 1
1 396 . 13 1 1 A 46 46 GLU N N 46 121.200 120.474 0.726 1
1 397 . 13 1 1 A 46 46 GLU CA C 46 52.751 56.093 -3.342 1
1 398 . 13 1 1 A 46 46 GLU CB C 46 29.432 30.636 -1.204 1
1 399 . 13 1 1 A 46 46 GLU C C 46 173.583 175.794 -2.211 1
1 400 . 13 1 1 A 46 46 GLU HA H 46 5.442 4.558 0.884 1
1 405 . 13 1 1 A 47 47 VAL H H 47 9.560 9.222 0.338 1
1 406 . 13 1 1 A 47 47 VAL N N 47 116.400 118.878 -2.478 1
1 407 . 13 1 1 A 47 47 VAL CA C 47 56.846 60.071 -3.225 1
1 408 . 13 1 1 A 47 47 VAL CB C 47 33.714 34.405 -0.691 1
1 409 . 13 1 1 A 47 47 VAL C C 47 172.960 173.952 -0.992 1
1 410 . 13 1 1 A 47 47 VAL HA H 47 5.505 5.276 0.229 1
1 418 . 13 1 1 A 48 48 TYR H H 48 8.415 9.208 -0.793 1
1 419 . 13 1 1 A 48 48 TYR N N 48 117.400 126.218 -8.818 1
1 420 . 13 1 1 A 48 48 TYR CA C 48 54.331 55.865 -1.534 1
1 421 . 13 1 1 A 48 48 TYR CB C 48 39.296 41.893 -2.597 1
1 422 . 13 1 1 A 48 48 TYR C C 48 173.423 173.829 -0.406 1
1 423 . 13 1 1 A 48 48 TYR HA H 48 5.290 5.378 -0.088 1
1 426 . 13 1 1 A 49 49 ILE H H 49 10.532 8.709 1.823 1
1 427 . 13 1 1 A 49 49 ILE N N 49 123.100 127.815 -4.715 1
1 428 . 13 1 1 A 49 49 ILE CA C 49 59.573 60.099 -0.526 1
1 429 . 13 1 1 A 49 49 ILE CB C 49 40.504 38.224 2.280 1
1 430 . 13 1 1 A 49 49 ILE C C 49 170.853 174.621 -3.768 1
1 431 . 13 1 1 A 49 49 ILE HA H 49 4.341 4.462 -0.121 1
1 438 . 13 1 1 A 50 50 LYS H H 50 8.511 8.533 -0.022 1
1 439 . 13 1 1 A 50 50 LYS N N 50 125.800 124.293 1.507 1
1 440 . 13 1 1 A 50 50 LYS CA C 50 51.179 53.983 -2.804 1
1 441 . 13 1 1 A 50 50 LYS CB C 50 34.816 35.590 -0.774 1
1 442 . 13 1 1 A 50 50 LYS C C 50 173.759 175.222 -1.463 1
1 443 . 13 1 1 A 50 50 LYS HA H 50 4.991 4.790 0.201 1
1 451 . 13 1 1 A 51 51 SER H H 51 8.920 8.989 -0.069 1
1 452 . 13 1 1 A 51 51 SER N N 51 117.579 119.103 -1.524 1
1 453 . 13 1 1 A 51 51 SER CA C 51 55.043 59.505 -4.462 1
1 454 . 13 1 1 A 51 51 SER CB C 51 61.065 63.635 -2.570 1
1 455 . 13 1 1 A 51 51 SER C C 51 175.084 174.137 0.947 1
1 456 . 13 1 1 A 51 51 SER HA H 51 4.666 4.531 0.135 1
1 459 . 13 1 1 A 52 52 THR H H 52 8.342 8.304 0.038 1
1 460 . 13 1 1 A 52 52 THR N N 52 123.200 119.342 3.858 1
1 461 . 13 1 1 A 52 52 THR CA C 52 62.792 64.733 -1.941 1
1 462 . 13 1 1 A 52 52 THR CB C 52 65.611 68.995 -3.384 1
1 463 . 13 1 1 A 52 52 THR C C 52 173.566 175.781 -2.215 1
1 464 . 13 1 1 A 52 52 THR HA H 52 3.996 4.078 -0.082 1
1 469 . 13 1 1 A 53 53 GLU H H 53 8.312 8.017 0.295 1
1 470 . 13 1 1 A 53 53 GLU N N 53 122.000 120.710 1.290 1
1 471 . 13 1 1 A 53 53 GLU CA C 53 55.889 58.000 -2.111 1
1 472 . 13 1 1 A 53 53 GLU CB C 53 28.359 30.765 -2.406 1
1 473 . 13 1 1 A 53 53 GLU C C 53 175.327 178.106 -2.779 1
1 474 . 13 1 1 A 53 53 GLU HA H 53 4.311 4.366 -0.055 1
1 477 . 13 1 1 A 54 54 THR H H 54 7.724 7.675 0.049 1
1 478 . 13 1 1 A 54 54 THR N N 54 103.100 108.263 -5.163 1
1 479 . 13 1 1 A 54 54 THR CA C 54 58.555 61.197 -2.642 1
1 480 . 13 1 1 A 54 54 THR CB C 54 69.030 69.004 0.026 1
1 481 . 13 1 1 A 54 54 THR C C 54 173.942 175.601 -1.659 1
1 482 . 13 1 1 A 54 54 THR HA H 54 4.681 4.641 0.040 1
1 487 . 13 1 1 A 55 55 GLY H H 55 7.643 8.211 -0.568 1
1 488 . 13 1 1 A 55 55 GLY N N 55 110.700 110.974 -0.274 1
1 489 . 13 1 1 A 55 55 GLY CA C 55 43.594 45.777 -2.183 1
1 490 . 13 1 1 A 55 55 GLY HA3 H 55 4.150 3.952 0.198 1
1 491 . 13 1 1 A 55 55 GLY HA2 H 55 3.591 3.935 -0.344 1
1 492 . 13 1 1 A 55 55 GLY C C 55 170.694 173.936 -3.242 1
1 493 . 13 1 1 A 56 56 GLN H H 56 7.211 8.057 -0.846 1
1 494 . 13 1 1 A 56 56 GLN N N 56 115.700 115.724 -0.024 1
1 495 . 13 1 1 A 56 56 GLN CA C 56 53.898 55.212 -1.314 1
1 496 . 13 1 1 A 56 56 GLN CB C 56 30.456 32.645 -2.189 1
1 497 . 13 1 1 A 56 56 GLN C C 56 172.141 173.253 -1.112 1
1 498 . 13 1 1 A 56 56 GLN HA H 56 4.311 4.710 -0.399 1
1 504 . 13 1 1 A 57 57 TYR H H 57 9.254 8.991 0.263 1
1 505 . 13 1 1 A 57 57 TYR N N 57 119.400 124.035 -4.635 1
1 506 . 13 1 1 A 57 57 TYR CA C 57 53.356 56.144 -2.788 1
1 507 . 13 1 1 A 57 57 TYR CB C 57 40.466 38.024 2.442 1
1 508 . 13 1 1 A 57 57 TYR C C 57 173.320 174.203 -0.883 1
1 509 . 13 1 1 A 57 57 TYR HA H 57 4.128 6.792 -2.664 1
1 512 . 13 1 1 A 58 58 LEU H H 58 9.126 8.782 0.344 1
1 513 . 13 1 1 A 58 58 LEU N N 58 123.600 128.733 -5.133 1
1 514 . 13 1 1 A 58 58 LEU CA C 58 53.256 54.281 -1.025 1
1 515 . 13 1 1 A 58 58 LEU CB C 58 40.466 42.337 -1.871 1
1 516 . 13 1 1 A 58 58 LEU C C 58 172.320 174.801 -2.481 1
1 517 . 13 1 1 A 58 58 LEU HA H 58 4.128 5.513 -1.385 1
1 524 . 13 1 1 A 59 59 ALA H H 59 8.656 9.071 -0.415 1
1 525 . 13 1 1 A 59 59 ALA N N 59 126.947 130.275 -3.328 1
1 526 . 13 1 1 A 59 59 ALA CA C 59 48.450 50.208 -1.758 1
1 527 . 13 1 1 A 59 59 ALA CB C 59 21.261 21.200 0.061 1
1 528 . 13 1 1 A 59 59 ALA C C 59 172.722 176.433 -3.711 1
1 529 . 13 1 1 A 59 59 ALA HA H 59 5.124 4.974 0.150 1
1 533 . 13 1 1 A 60 60 MET H H 60 7.521 8.714 -1.193 1
1 534 . 13 1 1 A 60 60 MET N N 60 116.602 122.705 -6.103 1
1 535 . 13 1 1 A 60 60 MET CA C 60 52.251 54.905 -2.654 1
1 536 . 13 1 1 A 60 60 MET CB C 60 35.046 33.572 1.474 1
1 537 . 13 1 1 A 60 60 MET C C 60 173.753 175.084 -1.331 1
1 538 . 13 1 1 A 60 60 MET HA H 60 5.527 4.933 0.594 1
1 543 . 13 1 1 A 61 61 ASP H H 61 9.159 9.066 0.093 1
1 544 . 13 1 1 A 61 61 ASP N N 61 128.445 125.638 2.807 1
1 545 . 13 1 1 A 61 61 ASP CA C 61 51.480 52.527 -1.047 1
1 546 . 13 1 1 A 61 61 ASP CB C 61 39.346 41.605 -2.259 1
1 547 . 13 1 1 A 61 61 ASP C C 61 175.800 176.349 -0.549 1
1 548 . 13 1 1 A 61 61 ASP HA H 61 5.046 5.028 0.018 1
1 551 . 13 1 1 A 62 62 THR H H 62 7.972 8.732 -0.760 1
1 552 . 13 1 1 A 62 62 THR N N 62 107.806 118.357 -10.551 1
1 553 . 13 1 1 A 62 62 THR CA C 62 62.626 63.523 -0.897 1
1 554 . 13 1 1 A 62 62 THR CB C 62 66.955 66.811 0.144 1
1 555 . 13 1 1 A 62 62 THR C C 62 172.355 174.802 -2.447 1
1 556 . 13 1 1 A 62 62 THR HA H 62 4.134 4.213 -0.079 1
1 561 . 13 1 1 A 63 63 ASP H H 63 8.333 8.638 -0.305 1
1 562 . 13 1 1 A 63 63 ASP N N 63 119.831 120.923 -1.092 1
1 563 . 13 1 1 A 63 63 ASP CA C 63 51.865 56.102 -4.237 1
1 564 . 13 1 1 A 63 63 ASP CB C 63 39.182 40.774 -1.592 1
1 565 . 13 1 1 A 63 63 ASP C C 63 174.438 177.564 -3.126 1
1 566 . 13 1 1 A 63 63 ASP HA H 63 4.964 4.618 0.346 1
1 569 . 13 1 1 A 64 64 GLY H H 64 8.264 8.294 -0.030 1
1 570 . 13 1 1 A 64 64 GLY N N 64 109.142 107.641 1.501 1
1 571 . 13 1 1 A 64 64 GLY CA C 64 42.923 46.164 -3.241 1
1 572 . 13 1 1 A 64 64 GLY C C 64 171.248 173.951 -2.703 1
1 573 . 13 1 1 A 64 64 GLY HA3 H 64 3.652 4.045 -0.393 1
1 574 . 13 1 1 A 64 64 GLY HA2 H 64 3.397 3.916 -0.519 1
1 575 . 13 1 1 A 65 65 LEU H H 65 8.636 7.349 1.287 1
1 576 . 13 1 1 A 65 65 LEU N N 65 123.137 118.948 4.189 1
1 577 . 13 1 1 A 65 65 LEU CA C 65 52.224 53.247 -1.023 1
1 578 . 13 1 1 A 65 65 LEU CB C 65 40.557 46.881 -6.324 1
1 579 . 13 1 1 A 65 65 LEU C C 65 174.507 175.734 -1.227 1
1 580 . 13 1 1 A 65 65 LEU HA H 65 4.529 5.002 -0.473 1
1 590 . 13 1 1 A 66 66 LEU H H 66 7.431 8.635 -1.204 1
1 591 . 13 1 1 A 66 66 LEU N N 66 124.493 117.207 7.286 1
1 592 . 13 1 1 A 66 66 LEU CA C 66 51.635 53.406 -1.771 1
1 593 . 13 1 1 A 66 66 LEU CB C 66 40.474 45.808 -5.334 1
1 594 . 13 1 1 A 66 66 LEU C C 66 174.070 174.831 -0.761 1
1 595 . 13 1 1 A 66 66 LEU HA H 66 5.714 5.405 0.309 1
1 605 . 13 1 1 A 67 67 TYR H H 67 9.237 9.333 -0.096 1
1 606 . 13 1 1 A 67 67 TYR N N 67 120.360 119.790 0.570 1
1 607 . 13 1 1 A 67 67 TYR CA C 67 54.076 55.933 -1.857 1
1 608 . 13 1 1 A 67 67 TYR CB C 67 38.903 42.317 -3.414 1
1 609 . 13 1 1 A 67 67 TYR C C 67 169.640 175.945 -6.305 1
1 610 . 13 1 1 A 67 67 TYR HA H 67 5.023 5.557 -0.534 1
1 612 . 13 1 1 A 68 68 GLY H H 68 8.928 8.682 0.246 1
1 613 . 13 1 1 A 68 68 GLY N N 68 105.646 109.225 -3.579 1
1 614 . 13 1 1 A 68 68 GLY CA C 68 41.569 45.846 -4.277 1
1 615 . 13 1 1 A 68 68 GLY C C 68 170.551 173.040 -2.489 1
1 616 . 13 1 1 A 68 68 GLY HA2 H 68 4.676 4.341 0.335 1
1 617 . 13 1 1 A 69 69 SER H H 69 9.608 9.012 0.596 1
1 618 . 13 1 1 A 69 69 SER N N 69 120.100 118.171 1.929 1
1 619 . 13 1 1 A 69 69 SER CA C 69 53.737 59.477 -5.740 1
1 620 . 13 1 1 A 69 69 SER CB C 69 63.042 64.647 -1.605 1
1 621 . 13 1 1 A 69 69 SER C C 69 174.219 175.915 -1.696 1
1 622 . 13 1 1 A 69 69 SER HA H 69 4.966 4.794 0.172 1
1 625 . 13 1 1 A 70 70 GLN H H 70 9.343 8.112 1.231 1
1 626 . 13 1 1 A 70 70 GLN N N 70 127.339 120.137 7.202 1
1 627 . 13 1 1 A 70 70 GLN CA C 70 56.139 57.516 -1.377 1
1 628 . 13 1 1 A 70 70 GLN CB C 70 27.092 29.994 -2.902 1
1 629 . 13 1 1 A 70 70 GLN C C 70 173.241 174.747 -1.506 1
1 630 . 13 1 1 A 70 70 GLN HA H 70 4.286 4.281 0.005 1
1 638 . 13 1 1 A 71 71 THR H H 71 7.532 8.054 -0.522 1
1 639 . 13 1 1 A 71 71 THR N N 71 108.100 111.517 -3.417 1
1 640 . 13 1 1 A 71 71 THR CA C 71 55.203 59.489 -4.286 1
1 641 . 13 1 1 A 71 71 THR HA H 71 4.780 5.046 -0.266 1
1 643 . 13 1 1 A 72 72 PRO CA C 72 60.050 62.071 -2.021 1
1 644 . 13 1 1 A 72 72 PRO CB C 72 26.678 30.866 -4.188 1
1 645 . 13 1 1 A 72 72 PRO C C 72 172.920 175.872 -2.952 1
1 646 . 13 1 1 A 72 72 PRO HA H 72 4.173 4.821 -0.648 1
1 649 . 13 1 1 A 73 73 ASN H H 73 7.321 8.477 -1.156 1
1 650 . 13 1 1 A 73 73 ASN N N 73 119.200 120.682 -1.482 1
1 651 . 13 1 1 A 73 73 ASN CA C 73 49.994 51.727 -1.733 1
1 652 . 13 1 1 A 74 74 GLU H H 74 9.030 8.704 0.326 1
1 653 . 13 1 1 A 74 74 GLU CA C 74 57.131 55.297 1.834 1
1 654 . 13 1 1 A 74 74 GLU CB C 74 27.005 29.854 -2.849 1
1 655 . 13 1 1 A 74 74 GLU C C 74 176.352 176.010 0.342 1
1 656 . 13 1 1 A 74 74 GLU HA H 74 4.130 4.747 -0.617 1
1 661 . 13 1 1 A 75 75 GLU H H 75 8.574 8.794 -0.220 1
1 662 . 13 1 1 A 75 75 GLU N N 75 119.200 123.920 -4.720 1
1 663 . 13 1 1 A 75 75 GLU CA C 75 56.343 57.036 -0.693 1
1 664 . 13 1 1 A 75 75 GLU CB C 75 26.028 32.218 -6.190 1
1 665 . 13 1 1 A 75 75 GLU C C 75 173.866 177.330 -3.464 1
1 666 . 13 1 1 A 75 75 GLU HA H 75 4.206 4.525 -0.319 1
1 671 . 13 1 1 A 76 76 CYS H H 76 7.727 7.589 0.138 1
1 672 . 13 1 1 A 76 76 CYS N N 76 113.800 116.314 -2.514 1
1 673 . 13 1 1 A 76 76 CYS CA C 76 55.635 59.152 -3.517 1
1 674 . 13 1 1 A 76 76 CYS CB C 76 26.036 26.890 -0.854 1
1 675 . 13 1 1 A 76 76 CYS C C 76 170.849 174.233 -3.384 1
1 676 . 13 1 1 A 76 76 CYS HA H 76 5.426 3.917 1.509 1
1 679 . 13 1 1 A 77 77 LEU H H 77 6.241 7.102 -0.861 1
1 680 . 13 1 1 A 77 77 LEU N N 77 118.069 123.778 -5.709 1
1 681 . 13 1 1 A 77 77 LEU CA C 77 51.793 55.204 -3.411 1
1 682 . 13 1 1 A 77 77 LEU CB C 77 42.123 41.960 0.163 1
1 683 . 13 1 1 A 77 77 LEU C C 77 173.882 175.891 -2.009 1
1 684 . 13 1 1 A 77 77 LEU HA H 77 4.555 4.055 0.500 1
1 694 . 13 1 1 A 78 78 PHE H H 78 9.067 8.773 0.294 1
1 695 . 13 1 1 A 78 78 PHE N N 78 122.377 122.900 -0.523 1
1 696 . 13 1 1 A 78 78 PHE CA C 78 54.917 56.324 -1.407 1
1 697 . 13 1 1 A 78 78 PHE CB C 78 40.597 43.990 -3.393 1
1 698 . 13 1 1 A 78 78 PHE C C 78 171.853 174.589 -2.736 1
1 699 . 13 1 1 A 78 78 PHE HA H 78 5.169 5.136 0.033 1
1 702 . 13 1 1 A 79 79 LEU H H 79 9.958 8.862 1.096 1
1 703 . 13 1 1 A 79 79 LEU N N 79 122.126 122.993 -0.867 1
1 704 . 13 1 1 A 79 79 LEU CA C 79 51.232 54.155 -2.923 1
1 705 . 13 1 1 A 79 79 LEU CB C 79 38.511 44.711 -6.200 1
1 706 . 13 1 1 A 79 79 LEU C C 79 173.055 175.348 -2.293 1
1 707 . 13 1 1 A 79 79 LEU HA H 79 4.686 5.138 -0.452 1
1 713 . 13 1 1 A 80 80 GLU H H 80 8.347 9.686 -1.339 1
1 714 . 13 1 1 A 80 80 GLU N N 80 126.300 127.824 -1.524 1
1 715 . 13 1 1 A 80 80 GLU CA C 80 52.558 55.307 -2.749 1
1 716 . 13 1 1 A 80 80 GLU CB C 80 30.892 31.536 -0.644 1
1 717 . 13 1 1 A 80 80 GLU C C 80 173.355 175.130 -1.775 1
1 718 . 13 1 1 A 80 80 GLU HA H 80 4.832 4.972 -0.140 1
1 721 . 13 1 1 A 81 81 ARG H H 81 8.840 8.781 0.059 1
1 722 . 13 1 1 A 81 81 ARG N N 81 129.522 128.159 1.363 1
1 723 . 13 1 1 A 81 81 ARG CA C 81 52.288 54.678 -2.390 1
1 724 . 13 1 1 A 81 81 ARG CB C 81 38.588 32.607 5.981 1
1 725 . 13 1 1 A 81 81 ARG C C 81 172.258 174.416 -2.158 1
1 726 . 13 1 1 A 81 81 ARG HA H 81 4.659 4.815 -0.156 1
1 732 . 13 1 1 A 82 82 LEU H H 82 8.347 8.891 -0.544 1
1 733 . 13 1 1 A 82 82 LEU N N 82 125.700 128.527 -2.827 1
1 734 . 13 1 1 A 82 82 LEU CA C 82 52.631 53.977 -1.346 1
1 735 . 13 1 1 A 82 82 LEU CB C 82 40.304 42.377 -2.073 1
1 736 . 13 1 1 A 82 82 LEU C C 82 174.567 176.027 -1.460 1
1 737 . 13 1 1 A 82 82 LEU HA H 82 4.875 4.846 0.029 1
1 744 . 13 1 1 A 83 83 GLU H H 83 9.064 8.377 0.687 1
1 745 . 13 1 1 A 83 83 GLU N N 83 125.600 125.596 0.004 1
1 746 . 13 1 1 A 83 83 GLU CA C 83 51.723 56.242 -4.519 1
1 747 . 13 1 1 A 83 83 GLU CB C 83 43.703 30.953 12.750 1
1 748 . 13 1 1 A 83 83 GLU C C 83 174.885 176.232 -1.347 1
1 749 . 13 1 1 A 83 83 GLU HA H 83 4.974 4.543 0.431 1
1 752 . 13 1 1 A 84 84 GLU H H 84 8.806 8.572 0.234 1
1 753 . 13 1 1 A 84 84 GLU N N 84 120.300 124.221 -3.921 1
1 754 . 13 1 1 A 84 84 GLU CA C 84 55.553 55.874 -0.321 1
1 755 . 13 1 1 A 84 84 GLU CB C 84 27.117 29.091 -1.974 1
1 756 . 13 1 1 A 84 84 GLU C C 84 174.261 176.046 -1.785 1
1 757 . 13 1 1 A 84 84 GLU HA H 84 4.112 4.530 -0.418 1
1 761 . 13 1 1 A 85 85 ASN H H 85 8.429 8.675 -0.246 1
1 762 . 13 1 1 A 85 85 ASN N N 85 114.800 116.384 -1.584 1
1 763 . 13 1 1 A 85 85 ASN CA C 85 51.788 54.484 -2.696 1
1 764 . 13 1 1 A 85 85 ASN CB C 85 35.301 36.380 -1.079 1
1 765 . 13 1 1 A 85 85 ASN C C 85 172.203 174.731 -2.528 1
1 766 . 13 1 1 A 85 85 ASN HA H 85 4.343 4.292 0.051 1
1 769 . 13 1 1 A 86 86 HIS H H 86 8.081 8.079 0.002 1
1 770 . 13 1 1 A 86 86 HIS N N 86 108.737 115.656 -6.919 1
1 771 . 13 1 1 A 86 86 HIS CA C 86 55.255 57.083 -1.828 1
1 772 . 13 1 1 A 86 86 HIS CB C 86 24.858 31.630 -6.772 1
1 773 . 13 1 1 A 86 86 HIS C C 86 171.039 174.509 -3.470 1
1 774 . 13 1 1 A 86 86 HIS HA H 86 4.260 4.433 -0.173 1
1 777 . 13 1 1 A 87 87 TYR H H 87 7.592 7.667 -0.075 1
1 778 . 13 1 1 A 87 87 TYR N N 87 117.738 115.297 2.441 1
1 779 . 13 1 1 A 87 87 TYR CA C 87 56.163 56.494 -0.331 1
1 780 . 13 1 1 A 87 87 TYR CB C 87 38.643 43.010 -4.367 1
1 781 . 13 1 1 A 87 87 TYR C C 87 171.983 174.286 -2.303 1
1 782 . 13 1 1 A 87 87 TYR HA H 87 4.836 5.145 -0.309 1
1 784 . 13 1 1 A 88 88 ASN H H 88 9.840 9.077 0.763 1
1 785 . 13 1 1 A 88 88 ASN N N 88 118.891 119.568 -0.677 1
1 786 . 13 1 1 A 88 88 ASN CA C 88 50.063 51.734 -1.671 1
1 787 . 13 1 1 A 88 88 ASN CB C 88 40.242 41.106 -0.864 1
1 788 . 13 1 1 A 88 88 ASN C C 88 172.471 174.300 -1.829 1
1 789 . 13 1 1 A 88 88 ASN HA H 88 5.837 5.673 0.164 1
1 795 . 13 1 1 A 89 89 THR H H 89 8.380 8.577 -0.197 1
1 796 . 13 1 1 A 89 89 THR N N 89 108.521 115.792 -7.271 1
1 797 . 13 1 1 A 89 89 THR CA C 89 57.357 60.262 -2.905 1
1 798 . 13 1 1 A 89 89 THR CB C 89 70.868 72.186 -1.318 1
1 799 . 13 1 1 A 89 89 THR C C 89 170.548 172.453 -1.905 1
1 800 . 13 1 1 A 89 89 THR HA H 89 5.127 5.250 -0.123 1
1 805 . 13 1 1 A 90 90 TYR H H 90 10.247 8.996 1.251 1
1 806 . 13 1 1 A 90 90 TYR N N 90 119.000 122.211 -3.211 1
1 807 . 13 1 1 A 90 90 TYR CA C 90 55.106 56.153 -1.047 1
1 808 . 13 1 1 A 90 90 TYR CB C 90 39.047 42.669 -3.622 1
1 809 . 13 1 1 A 90 90 TYR C C 90 172.442 174.737 -2.295 1
1 810 . 13 1 1 A 90 90 TYR HA H 90 5.472 5.258 0.214 1
1 812 . 13 1 1 A 91 91 ILE H H 91 8.781 9.558 -0.777 1
1 813 . 13 1 1 A 91 91 ILE N N 91 122.546 124.487 -1.941 1
1 814 . 13 1 1 A 91 91 ILE CA C 91 56.346 60.296 -3.950 1
1 815 . 13 1 1 A 91 91 ILE CB C 91 36.627 39.990 -3.363 1
1 816 . 13 1 1 A 91 91 ILE C C 91 172.924 174.954 -2.030 1
1 817 . 13 1 1 A 91 91 ILE HA H 91 4.673 4.708 -0.035 1
1 826 . 13 1 1 A 92 92 SER H H 92 8.191 8.637 -0.446 1
1 827 . 13 1 1 A 92 92 SER N N 92 120.200 120.995 -0.795 1
1 828 . 13 1 1 A 92 92 SER CA C 92 55.781 57.630 -1.849 1
1 829 . 13 1 1 A 92 92 SER CB C 92 62.382 63.060 -0.678 1
1 830 . 13 1 1 A 92 92 SER C C 92 172.863 174.911 -2.048 1
1 831 . 13 1 1 A 92 92 SER HA H 92 4.016 5.077 -1.061 1
1 833 . 13 1 1 A 93 93 LYS H H 93 7.993 8.883 -0.890 1
1 834 . 13 1 1 A 93 93 LYS N N 93 130.618 126.728 3.890 1
1 835 . 13 1 1 A 93 93 LYS CA C 93 57.942 58.850 -0.908 1
1 836 . 13 1 1 A 93 93 LYS CB C 93 30.889 32.661 -1.772 1
1 837 . 13 1 1 A 93 93 LYS C C 93 176.938 178.115 -1.177 1
1 838 . 13 1 1 A 93 93 LYS HA H 93 3.779 4.079 -0.300 1
1 844 . 13 1 1 A 94 94 LYS H H 94 8.616 7.989 0.627 1
1 845 . 13 1 1 A 94 94 LYS N N 94 120.044 119.346 0.698 1
1 846 . 13 1 1 A 94 94 LYS CA C 94 55.868 58.892 -3.024 1
1 847 . 13 1 1 A 94 94 LYS CB C 94 30.329 32.634 -2.305 1
1 848 . 13 1 1 A 94 94 LYS C C 94 174.491 177.882 -3.391 1
1 849 . 13 1 1 A 94 94 LYS HA H 94 3.851 4.021 -0.170 1
1 856 . 13 1 1 A 95 95 HIS H H 95 7.249 8.076 -0.827 1
1 857 . 13 1 1 A 95 95 HIS N N 95 114.486 115.960 -1.474 1
1 858 . 13 1 1 A 95 95 HIS CA C 95 51.180 54.715 -3.535 1
1 859 . 13 1 1 A 95 95 HIS CB C 95 26.844 28.620 -1.776 1
1 860 . 13 1 1 A 95 95 HIS C C 95 173.734 175.697 -1.963 1
1 861 . 13 1 1 A 95 95 HIS HA H 95 4.604 4.649 -0.045 1
1 864 . 13 1 1 A 96 96 ALA H H 96 7.104 7.809 -0.705 1
1 865 . 13 1 1 A 96 96 ALA N N 96 125.204 123.861 1.343 1
1 866 . 13 1 1 A 96 96 ALA CA C 96 53.758 55.378 -1.620 1
1 867 . 13 1 1 A 96 96 ALA CB C 96 16.578 18.544 -1.966 1
1 868 . 13 1 1 A 96 96 ALA C C 96 178.508 179.592 -1.084 1
1 869 . 13 1 1 A 96 96 ALA HA H 96 4.131 3.828 0.303 1
1 873 . 13 1 1 A 97 97 GLU H H 97 8.857 8.504 0.353 1
1 874 . 13 1 1 A 97 97 GLU N N 97 118.007 115.959 2.048 1
1 875 . 13 1 1 A 97 97 GLU CA C 97 56.153 59.074 -2.921 1
1 876 . 13 1 1 A 97 97 GLU CB C 97 26.241 28.951 -2.710 1
1 877 . 13 1 1 A 97 97 GLU C C 97 174.813 177.561 -2.748 1
1 878 . 13 1 1 A 97 97 GLU HA H 97 4.063 4.038 0.025 1
1 882 . 13 1 1 A 98 98 LYS H H 98 7.116 7.420 -0.304 1
1 883 . 13 1 1 A 98 98 LYS N N 98 116.241 117.540 -1.299 1
1 884 . 13 1 1 A 98 98 LYS CA C 98 52.852 56.065 -3.213 1
1 885 . 13 1 1 A 98 98 LYS CB C 98 29.959 32.057 -2.098 1
1 886 . 13 1 1 A 98 98 LYS C C 98 173.361 175.744 -2.383 1
1 887 . 13 1 1 A 98 98 LYS HA H 98 4.280 4.321 -0.041 1
1 893 . 13 1 1 A 99 99 ASN H H 99 7.842 7.952 -0.110 1
1 894 . 13 1 1 A 99 99 ASN N N 99 113.000 114.197 -1.197 1
1 895 . 13 1 1 A 99 99 ASN CA C 99 52.240 54.718 -2.478 1
1 896 . 13 1 1 A 99 99 ASN CB C 99 35.289 36.942 -1.653 1
1 897 . 13 1 1 A 99 99 ASN C C 99 170.506 174.480 -3.974 1
1 898 . 13 1 1 A 99 99 ASN HA H 99 3.772 4.315 -0.543 1
1 904 . 13 1 1 A 100 100 TRP H H 100 6.369 7.350 -0.981 1
1 905 . 13 1 1 A 100 100 TRP N N 100 116.000 119.882 -3.882 1
1 906 . 13 1 1 A 100 100 TRP CA C 100 53.179 57.797 -4.618 1
1 907 . 13 1 1 A 100 100 TRP CB C 100 28.228 30.216 -1.988 1
1 908 . 13 1 1 A 100 100 TRP C C 100 171.701 176.229 -4.528 1
1 909 . 13 1 1 A 100 100 TRP HA H 100 4.816 4.819 -0.003 1
1 912 . 13 1 1 A 101 101 PHE H H 101 8.026 9.077 -1.051 1
1 913 . 13 1 1 A 101 101 PHE N N 101 124.185 122.358 1.827 1
1 914 . 13 1 1 A 101 101 PHE CA C 101 55.472 56.895 -1.423 1
1 915 . 13 1 1 A 101 101 PHE CB C 101 39.220 41.636 -2.416 1
1 916 . 13 1 1 A 101 101 PHE C C 101 175.044 175.243 -0.199 1
1 917 . 13 1 1 A 101 101 PHE HA H 101 5.373 5.094 0.279 1
1 920 . 13 1 1 A 102 102 VAL H H 102 8.499 8.578 -0.079 1
1 921 . 13 1 1 A 102 102 VAL N N 102 120.282 122.847 -2.565 1
1 922 . 13 1 1 A 102 102 VAL CA C 102 60.975 61.372 -0.397 1
1 923 . 13 1 1 A 102 102 VAL CB C 102 30.243 32.239 -1.996 1
1 924 . 13 1 1 A 102 102 VAL C C 102 174.220 175.194 -0.974 1
1 925 . 13 1 1 A 102 102 VAL HA H 102 3.939 4.604 -0.665 1
1 930 . 13 1 1 A 103 103 GLY H H 103 8.996 8.655 0.341 1
1 931 . 13 1 1 A 103 103 GLY N N 103 114.668 115.620 -0.952 1
1 932 . 13 1 1 A 103 103 GLY CA C 103 43.802 44.471 -0.669 1
1 933 . 13 1 1 A 103 103 GLY C C 103 169.388 172.659 -3.271 1
1 934 . 13 1 1 A 103 103 GLY HA2 H 103 5.275 4.538 0.737 1
1 935 . 13 1 1 A 103 103 GLY HA3 H 103 3.180 4.976 -1.796 1
1 936 . 13 1 1 A 104 104 LEU H H 104 8.118 8.359 -0.241 1
1 937 . 13 1 1 A 104 104 LEU N N 104 119.100 119.594 -0.494 1
1 938 . 13 1 1 A 104 104 LEU CA C 104 51.207 52.645 -1.438 1
1 939 . 13 1 1 A 104 104 LEU CB C 104 43.579 46.023 -2.444 1
1 940 . 13 1 1 A 104 104 LEU C C 104 174.252 174.659 -0.407 1
1 941 . 13 1 1 A 104 104 LEU HA H 104 4.959 5.171 -0.212 1
1 950 . 13 1 1 A 105 105 LYS H H 105 8.847 8.521 0.326 1
1 951 . 13 1 1 A 105 105 LYS N N 105 118.900 122.398 -3.498 1
1 952 . 13 1 1 A 105 105 LYS CA C 105 54.035 55.442 -1.407 1
1 953 . 13 1 1 A 105 105 LYS C C 105 176.404 176.960 -0.556 1
1 954 . 13 1 1 A 105 105 LYS HA H 105 4.215 4.332 -0.117 1
1 960 . 13 1 1 A 106 106 LYS H H 106 8.980 8.119 0.861 1
1 961 . 13 1 1 A 106 106 LYS N N 106 122.172 125.491 -3.319 1
1 962 . 13 1 1 A 106 106 LYS CA C 106 57.672 58.401 -0.729 1
1 963 . 13 1 1 A 106 106 LYS CB C 106 29.780 31.896 -2.116 1
1 964 . 13 1 1 A 106 106 LYS C C 106 174.499 178.555 -4.056 1
1 965 . 13 1 1 A 106 106 LYS HA H 106 3.624 3.984 -0.360 1
1 970 . 13 1 1 A 107 107 ASN H H 107 7.352 7.692 -0.340 1
1 971 . 13 1 1 A 107 107 ASN N N 107 112.743 118.420 -5.677 1
1 972 . 13 1 1 A 107 107 ASN CA C 107 49.523 55.419 -5.896 1
1 973 . 13 1 1 A 107 107 ASN CB C 107 35.121 38.133 -3.012 1
1 974 . 13 1 1 A 107 107 ASN C C 107 174.511 177.023 -2.512 1
1 975 . 13 1 1 A 107 107 ASN HA H 107 4.678 4.625 0.053 1
1 978 . 13 1 1 A 108 108 GLY H H 108 7.656 7.929 -0.273 1
1 979 . 13 1 1 A 108 108 GLY N N 108 109.900 107.565 2.335 1
1 980 . 13 1 1 A 108 108 GLY CA C 108 42.207 46.009 -3.802 1
1 981 . 13 1 1 A 108 108 GLY C C 108 169.305 173.946 -4.641 1
1 982 . 13 1 1 A 108 108 GLY HA3 H 108 3.358 4.027 -0.669 1
1 983 . 13 1 1 A 108 108 GLY HA2 H 108 2.111 3.987 -1.876 1
1 984 . 13 1 1 A 109 109 SER H H 109 7.280 7.822 -0.542 1
1 985 . 13 1 1 A 109 109 SER N N 109 112.357 112.243 0.114 1
1 986 . 13 1 1 A 109 109 SER CA C 109 55.139 57.090 -1.951 1
1 987 . 13 1 1 A 109 109 SER CB C 109 62.749 64.813 -2.064 1
1 988 . 13 1 1 A 109 109 SER C C 109 171.244 172.175 -0.931 1
1 989 . 13 1 1 A 109 109 SER HA H 109 4.755 4.517 0.238 1
1 992 . 13 1 1 A 110 110 CYS H H 110 9.070 8.488 0.582 1
1 993 . 13 1 1 A 110 110 CYS N N 110 119.883 122.025 -2.142 1
1 994 . 13 1 1 A 110 110 CYS CA C 110 57.858 59.168 -1.310 1
1 995 . 13 1 1 A 110 110 CYS CB C 110 37.322 28.364 8.958 1
1 996 . 13 1 1 A 110 110 CYS C C 110 172.131 174.401 -2.270 1
1 997 . 13 1 1 A 110 110 CYS HA H 110 4.296 4.617 -0.321 1
1 1000 . 13 1 1 A 111 111 LYS H H 111 8.095 8.697 -0.602 1
1 1001 . 13 1 1 A 111 111 LYS N N 111 128.642 125.700 2.942 1
1 1002 . 13 1 1 A 111 111 LYS CA C 111 52.117 54.347 -2.230 1
1 1003 . 13 1 1 A 111 111 LYS CB C 111 30.980 35.402 -4.422 1
1 1004 . 13 1 1 A 111 111 LYS C C 111 172.265 175.593 -3.328 1
1 1005 . 13 1 1 A 111 111 LYS HA H 111 4.380 4.814 -0.434 1
1 1010 . 13 1 1 A 112 112 ARG H H 112 8.566 8.822 -0.256 1
1 1011 . 13 1 1 A 112 112 ARG N N 112 124.700 121.821 2.879 1
1 1012 . 13 1 1 A 112 112 ARG CA C 112 54.295 54.402 -0.107 1
1 1013 . 13 1 1 A 112 112 ARG CB C 112 28.927 31.374 -2.447 1
1 1014 . 13 1 1 A 112 112 ARG C C 112 175.240 178.193 -2.953 1
1 1015 . 13 1 1 A 112 112 ARG HA H 112 4.252 4.572 -0.320 1
1 1021 . 13 1 1 A 113 113 GLY H H 113 9.408 9.415 -0.007 1
1 1022 . 13 1 1 A 113 113 GLY N N 113 106.636 111.259 -4.623 1
1 1023 . 13 1 1 A 113 113 GLY CA C 113 44.552 47.600 -3.048 1
1 1024 . 13 1 1 A 113 113 GLY C C 113 169.610 174.734 -5.124 1
1 1025 . 13 1 1 A 113 113 GLY HA2 H 113 1.510 3.532 -2.022 1
1 1026 . 13 1 1 A 114 114 PRO CA C 114 62.529 64.751 -2.222 1
1 1027 . 13 1 1 A 114 114 PRO C C 114 174.543 177.735 -3.192 1
1 1028 . 13 1 1 A 114 114 PRO HA H 114 4.321 4.094 0.227 1
1 1033 . 13 1 1 A 115 115 ARG H H 115 8.067 7.594 0.473 1
1 1034 . 13 1 1 A 115 115 ARG N N 115 114.500 116.931 -2.431 1
1 1035 . 13 1 1 A 115 115 ARG CA C 115 52.011 55.908 -3.897 1
1 1036 . 13 1 1 A 115 115 ARG CB C 115 27.143 31.136 -3.993 1
1 1037 . 13 1 1 A 115 115 ARG C C 115 174.680 175.311 -0.631 1
1 1038 . 13 1 1 A 115 115 ARG HA H 115 4.508 4.306 0.202 1
1 1043 . 13 1 1 A 116 116 THR H H 116 7.643 7.181 0.462 1
1 1044 . 13 1 1 A 116 116 THR N N 116 111.716 108.847 2.869 1
1 1045 . 13 1 1 A 116 116 THR CA C 116 58.712 61.121 -2.409 1
1 1046 . 13 1 1 A 116 116 THR CB C 116 70.086 69.988 0.098 1
1 1047 . 13 1 1 A 116 116 THR C C 116 172.573 174.011 -1.438 1
1 1048 . 13 1 1 A 116 116 THR HA H 116 5.198 4.456 0.742 1
1 1053 . 13 1 1 A 117 117 HIS H H 117 7.091 8.417 -1.326 1
1 1054 . 13 1 1 A 117 117 HIS N N 117 112.914 118.794 -5.880 1
1 1055 . 13 1 1 A 117 117 HIS CA C 117 53.291 55.070 -1.779 1
1 1056 . 13 1 1 A 117 117 HIS CB C 117 29.133 31.650 -2.517 1
1 1057 . 13 1 1 A 117 117 HIS C C 117 170.344 171.455 -1.111 1
1 1058 . 13 1 1 A 117 117 HIS HA H 117 4.868 4.536 0.332 1
1 1061 . 13 1 1 A 118 118 TYR H H 118 9.020 8.800 0.220 1
1 1062 . 13 1 1 A 118 118 TYR N N 118 123.051 120.704 2.347 1
1 1063 . 13 1 1 A 118 118 TYR CA C 118 58.801 56.493 2.308 1
1 1064 . 13 1 1 A 118 118 TYR CB C 118 29.959 37.749 -7.790 1
1 1065 . 13 1 1 A 118 118 TYR C C 118 174.446 175.070 -0.624 1
1 1066 . 13 1 1 A 118 118 TYR HA H 118 3.897 4.568 -0.671 1
1 1069 . 13 1 1 A 119 119 GLY H H 119 7.999 8.832 -0.833 1
1 1070 . 13 1 1 A 119 119 GLY N N 119 116.885 112.898 3.987 1
1 1071 . 13 1 1 A 119 119 GLY CA C 119 42.599 45.992 -3.393 1
1 1072 . 13 1 1 A 119 119 GLY C C 119 172.439 173.559 -1.120 1
1 1073 . 13 1 1 A 119 119 GLY HA3 H 119 4.385 4.042 0.343 1
1 1074 . 13 1 1 A 119 119 GLY HA2 H 119 3.296 3.770 -0.474 1
1 1075 . 13 1 1 A 120 120 GLN H H 120 7.003 7.459 -0.456 1
1 1076 . 13 1 1 A 120 120 GLN N N 120 118.266 117.357 0.909 1
1 1077 . 13 1 1 A 120 120 GLN CA C 120 52.617 53.674 -1.057 1
1 1078 . 13 1 1 A 120 120 GLN CB C 120 27.324 32.856 -5.532 1
1 1079 . 13 1 1 A 120 120 GLN C C 120 174.995 175.635 -0.640 1
1 1080 . 13 1 1 A 120 120 GLN HA H 120 4.262 4.630 -0.368 1
1 1083 . 13 1 1 A 121 121 LYS H H 121 8.477 8.492 -0.015 1
1 1084 . 13 1 1 A 121 121 LYS N N 121 121.222 123.568 -2.346 1
1 1085 . 13 1 1 A 121 121 LYS CA C 121 56.243 56.569 -0.326 1
1 1086 . 13 1 1 A 121 121 LYS CB C 121 29.598 31.800 -2.202 1
1 1087 . 13 1 1 A 121 121 LYS C C 121 172.702 176.895 -4.193 1
1 1088 . 13 1 1 A 121 121 LYS HA H 121 3.809 4.203 -0.394 1
1 1093 . 13 1 1 A 122 122 ALA H H 122 7.526 7.666 -0.140 1
1 1094 . 13 1 1 A 122 122 ALA N N 122 116.019 121.806 -5.787 1
1 1095 . 13 1 1 A 122 122 ALA CA C 122 52.338 53.987 -1.649 1
1 1096 . 13 1 1 A 122 122 ALA CB C 122 18.675 18.116 0.559 1
1 1097 . 13 1 1 A 122 122 ALA C C 122 172.756 178.374 -5.618 1
1 1098 . 13 1 1 A 122 122 ALA HA H 122 3.947 3.951 -0.004 1
1 1102 . 13 1 1 A 123 123 ILE H H 123 5.794 7.615 -1.821 1
1 1103 . 13 1 1 A 123 123 ILE N N 123 101.200 117.387 -16.187 1
1 1104 . 13 1 1 A 123 123 ILE CA C 123 57.297 61.596 -4.299 1
1 1105 . 13 1 1 A 123 123 ILE CB C 123 35.425 38.493 -3.068 1
1 1106 . 13 1 1 A 123 123 ILE C C 123 172.790 175.894 -3.104 1
1 1107 . 13 1 1 A 123 123 ILE HA H 123 5.184 4.411 0.773 1
1 1116 . 13 1 1 A 124 124 LEU H H 124 6.716 7.114 -0.398 1
1 1117 . 13 1 1 A 124 124 LEU N N 124 121.554 123.847 -2.293 1
1 1118 . 13 1 1 A 124 124 LEU CA C 124 51.686 53.474 -1.788 1
1 1119 . 13 1 1 A 124 124 LEU CB C 124 39.622 42.138 -2.516 1
1 1120 . 13 1 1 A 124 124 LEU C C 124 173.411 174.672 -1.261 1
1 1121 . 13 1 1 A 124 124 LEU HA H 124 4.597 4.562 0.035 1
1 1130 . 13 1 1 A 125 125 PHE H H 125 9.226 9.107 0.119 1
1 1131 . 13 1 1 A 125 125 PHE N N 125 121.900 126.378 -4.478 1
1 1132 . 13 1 1 A 125 125 PHE CA C 125 54.604 57.267 -2.663 1
1 1133 . 13 1 1 A 125 125 PHE CB C 125 41.692 41.349 0.343 1
1 1134 . 13 1 1 A 125 125 PHE C C 125 172.768 175.092 -2.324 1
1 1135 . 13 1 1 A 125 125 PHE HA H 125 5.612 5.069 0.543 1
1 1138 . 13 1 1 A 126 126 LEU H H 126 9.932 8.991 0.941 1
1 1139 . 13 1 1 A 126 126 LEU N N 126 125.427 123.991 1.436 1
1 1140 . 13 1 1 A 126 126 LEU CA C 126 48.875 51.602 -2.727 1
1 1141 . 13 1 1 A 127 127 PRO CA C 127 58.907 62.139 -3.232 1
1 1142 . 13 1 1 A 127 127 PRO CB C 127 28.730 31.810 -3.080 1
1 1143 . 13 1 1 A 127 127 PRO C C 127 174.541 176.029 -1.488 1
1 1144 . 13 1 1 A 127 127 PRO HA H 127 5.587 5.321 0.266 1
1 1147 . 13 1 1 A 128 128 LEU H H 128 9.674 8.351 1.323 1
1 1148 . 13 1 1 A 128 128 LEU N N 128 129.196 124.758 4.438 1
1 1149 . 13 1 1 A 128 128 LEU CA C 128 49.523 51.883 -2.360 1
1 1150 . 13 1 1 A 128 128 LEU C C 128 175.960 175.271 0.689 1
1 1151 . 13 1 1 A 129 129 PRO CA C 129 60.043 62.389 -2.346 1
1 1152 . 13 1 1 A 129 129 PRO CB C 129 29.800 32.300 -2.500 1
1 1153 . 13 1 1 A 129 129 PRO C C 129 174.414 176.605 -2.191 1
1 1154 . 13 1 1 A 129 129 PRO HA H 129 4.710 4.982 -0.272 1
1 1160 . 13 1 1 A 130 130 VAL H H 130 7.992 8.561 -0.569 1
1 1161 . 13 1 1 A 130 130 VAL N N 130 118.275 121.857 -3.582 1
1 1162 . 13 1 1 A 130 130 VAL CA C 130 61.494 62.771 -1.277 1
1 1163 . 13 1 1 A 130 130 VAL CB C 130 29.649 32.173 -2.524 1
1 1164 . 13 1 1 A 130 130 VAL C C 130 174.097 176.015 -1.918 1
1 1165 . 13 1 1 A 130 130 VAL HA H 130 3.794 4.055 -0.261 1
1 1173 . 13 1 1 A 131 131 SER H H 131 7.844 8.527 -0.683 1
1 1174 . 13 1 1 A 131 131 SER N N 131 115.853 122.884 -7.031 1
1 1175 . 13 1 1 A 131 131 SER CA C 131 55.233 58.580 -3.347 1
1 1176 . 13 1 1 A 131 131 SER CB C 131 61.375 63.977 -2.602 1
1 1177 . 13 1 1 A 131 131 SER C C 131 173.574 173.484 0.090 1
1 1178 . 13 1 1 A 131 131 SER HA H 131 4.218 4.808 -0.590 1
1 1181 . 13 1 1 A 132 132 SER H H 132 8.196 9.081 -0.885 1
1 1182 . 13 1 1 A 132 132 SER N N 132 118.100 121.291 -3.191 1
1 1183 . 13 1 1 A 132 132 SER CA C 132 56.021 56.669 -0.648 1
1 1184 . 13 1 1 A 132 132 SER CB C 132 61.848 64.938 -3.090 1
1 1185 . 13 1 1 A 132 132 SER C C 132 170.997 172.118 -1.121 1
1 1186 . 13 1 1 A 132 132 SER HA H 132 4.484 5.045 -0.561 1
1 12 . 14 1 1 A 2 2 LYS H H 2 7.955 8.832 -0.877 1
1 13 . 14 1 1 A 2 2 LYS N N 2 120.000 121.211 -1.211 1
1 14 . 14 1 1 A 2 2 LYS CA C 2 51.913 54.594 -2.681 1
1 15 . 14 1 1 A 2 2 LYS C C 2 174.300 174.931 -0.631 1
1 16 . 14 1 1 A 2 2 LYS HA H 2 4.270 5.353 -1.083 1
1 18 . 14 1 1 A 3 3 LYS H H 3 7.960 8.541 -0.581 1
1 19 . 14 1 1 A 3 3 LYS N N 3 119.640 120.902 -1.262 1
1 20 . 14 1 1 A 3 3 LYS CA C 3 51.900 53.309 -1.409 1
1 21 . 14 1 1 A 3 3 LYS HA H 3 4.600 4.758 -0.158 1
1 24 . 14 1 1 A 4 4 PRO CA C 4 60.687 63.299 -2.612 1
1 25 . 14 1 1 A 4 4 PRO C C 4 172.359 176.234 -3.875 1
1 26 . 14 1 1 A 4 4 PRO CB C 4 30.627 31.864 -1.237 1
1 27 . 14 1 1 A 4 4 PRO HA H 4 4.716 4.436 0.280 1
1 29 . 14 1 1 A 5 5 LYS H H 5 9.357 8.511 0.846 1
1 30 . 14 1 1 A 5 5 LYS N N 5 119.100 122.111 -3.011 1
1 31 . 14 1 1 A 5 5 LYS CA C 5 51.445 56.091 -4.646 1
1 32 . 14 1 1 A 5 5 LYS CB C 5 34.945 33.547 1.398 1
1 33 . 14 1 1 A 5 5 LYS C C 5 171.776 175.838 -4.062 1
1 34 . 14 1 1 A 5 5 LYS HA H 5 5.062 4.580 0.482 1
1 37 . 14 1 1 A 6 6 LEU H H 6 8.944 8.947 -0.003 1
1 38 . 14 1 1 A 6 6 LEU N N 6 117.400 127.773 -10.373 1
1 39 . 14 1 1 A 6 6 LEU CA C 6 50.259 53.639 -3.380 1
1 40 . 14 1 1 A 6 6 LEU CB C 6 41.472 44.758 -3.286 1
1 41 . 14 1 1 A 6 6 LEU C C 6 174.676 175.558 -0.882 1
1 42 . 14 1 1 A 6 6 LEU HA H 6 4.984 5.016 -0.032 1
1 51 . 14 1 1 A 7 7 LEU H H 7 10.297 8.921 1.376 1
1 52 . 14 1 1 A 7 7 LEU N N 7 125.000 127.662 -2.662 1
1 53 . 14 1 1 A 7 7 LEU CA C 7 53.596 53.784 -0.188 1
1 54 . 14 1 1 A 7 7 LEU C C 7 172.290 175.395 -3.105 1
1 55 . 14 1 1 A 7 7 LEU HA H 7 5.083 5.026 0.057 1
1 65 . 14 1 1 A 8 8 TYR H H 8 8.483 8.975 -0.492 1
1 66 . 14 1 1 A 8 8 TYR N N 8 125.000 128.923 -3.923 1
1 67 . 14 1 1 A 8 8 TYR CA C 8 54.761 56.251 -1.490 1
1 68 . 14 1 1 A 8 8 TYR CB C 8 37.988 39.679 -1.691 1
1 69 . 14 1 1 A 8 8 TYR C C 8 171.270 174.295 -3.025 1
1 70 . 14 1 1 A 8 8 TYR HA H 8 4.592 5.216 -0.624 1
1 73 . 14 1 1 A 9 9 CYS H H 9 9.235 9.017 0.218 1
1 74 . 14 1 1 A 9 9 CYS N N 9 130.104 128.229 1.875 1
1 75 . 14 1 1 A 9 9 CYS CA C 9 55.588 57.355 -1.767 1
1 76 . 14 1 1 A 9 9 CYS CB C 9 26.864 28.263 -1.399 1
1 77 . 14 1 1 A 9 9 CYS C C 9 172.619 173.098 -0.479 1
1 78 . 14 1 1 A 9 9 CYS HA H 9 4.163 4.771 -0.608 1
1 82 . 14 1 1 A 10 10 SER H H 10 8.173 8.720 -0.547 1
1 83 . 14 1 1 A 10 10 SER N N 10 122.600 122.425 0.175 1
1 84 . 14 1 1 A 10 10 SER CA C 10 57.853 57.186 0.667 1
1 85 . 14 1 1 A 10 10 SER CB C 10 61.820 66.273 -4.453 1
1 86 . 14 1 1 A 10 10 SER C C 10 172.210 172.055 0.155 1
1 87 . 14 1 1 A 10 10 SER HA H 10 3.920 4.964 -1.044 1
1 89 . 14 1 1 A 11 11 ASN H H 11 7.450 8.560 -1.110 1
1 90 . 14 1 1 A 11 11 ASN N N 11 119.550 121.913 -2.363 1
1 91 . 14 1 1 A 11 11 ASN CA C 11 52.430 53.167 -0.737 1
1 92 . 14 1 1 A 11 11 ASN HA H 11 4.360 4.822 -0.462 1
1 94 . 14 1 1 A 12 12 GLY C C 12 171.806 173.397 -1.591 1
1 95 . 14 1 1 A 12 12 GLY CA C 12 41.915 46.211 -4.296 1
1 96 . 14 1 1 A 12 12 GLY HA3 H 12 3.927 3.939 -0.012 1
1 97 . 14 1 1 A 12 12 GLY H H 12 7.096 8.490 -1.394 1
1 98 . 14 1 1 A 12 12 GLY N N 12 109.300 112.800 -3.500 1
1 99 . 14 1 1 A 13 13 GLY H H 13 7.096 8.325 -1.229 1
1 100 . 14 1 1 A 13 13 GLY N N 13 109.300 111.521 -2.221 1
1 101 . 14 1 1 A 13 13 GLY CA C 13 44.272 44.639 -0.367 1
1 102 . 14 1 1 A 13 13 GLY C C 13 170.445 172.096 -1.651 1
1 103 . 14 1 1 A 13 13 GLY HA2 H 13 3.598 3.811 -0.213 1
1 104 . 14 1 1 A 13 13 GLY HA3 H 13 3.204 3.948 -0.744 1
1 105 . 14 1 1 A 14 14 HIS H H 14 6.302 8.221 -1.919 1
1 106 . 14 1 1 A 14 14 HIS N N 14 113.600 118.115 -4.515 1
1 107 . 14 1 1 A 14 14 HIS CA C 14 54.319 54.375 -0.056 1
1 108 . 14 1 1 A 14 14 HIS CB C 14 31.792 33.327 -1.535 1
1 109 . 14 1 1 A 14 14 HIS C C 14 171.281 174.483 -3.202 1
1 110 . 14 1 1 A 14 14 HIS HA H 14 4.104 4.827 -0.723 1
1 113 . 14 1 1 A 15 15 PHE H H 15 9.298 8.733 0.565 1
1 114 . 14 1 1 A 15 15 PHE N N 15 120.700 119.585 1.115 1
1 115 . 14 1 1 A 15 15 PHE CA C 15 54.273 57.333 -3.060 1
1 116 . 14 1 1 A 15 15 PHE CB C 15 37.632 40.501 -2.869 1
1 117 . 14 1 1 A 15 15 PHE C C 15 173.938 175.549 -1.611 1
1 118 . 14 1 1 A 15 15 PHE HA H 15 5.390 5.071 0.319 1
1 121 . 14 1 1 A 16 16 LEU H H 16 8.480 8.318 0.162 1
1 122 . 14 1 1 A 16 16 LEU N N 16 124.700 125.613 -0.913 1
1 123 . 14 1 1 A 16 16 LEU CA C 16 54.440 54.735 -0.295 1
1 124 . 14 1 1 A 16 16 LEU C C 16 171.758 176.151 -4.393 1
1 125 . 14 1 1 A 16 16 LEU CB C 16 41.301 43.058 -1.757 1
1 126 . 14 1 1 A 16 16 LEU HA H 16 4.394 4.925 -0.531 1
1 129 . 14 1 1 A 17 17 ARG H H 17 9.339 9.438 -0.099 1
1 130 . 14 1 1 A 17 17 ARG N N 17 126.971 124.046 2.925 1
1 131 . 14 1 1 A 17 17 ARG CA C 17 53.301 54.368 -1.067 1
1 132 . 14 1 1 A 17 17 ARG CB C 17 32.620 33.983 -1.363 1
1 133 . 14 1 1 A 17 17 ARG C C 17 171.302 175.123 -3.821 1
1 134 . 14 1 1 A 17 17 ARG HA H 17 4.715 5.069 -0.354 1
1 141 . 14 1 1 A 18 18 ILE H H 18 6.989 8.109 -1.120 1
1 142 . 14 1 1 A 18 18 ILE N N 18 120.966 119.048 1.918 1
1 143 . 14 1 1 A 18 18 ILE CA C 18 57.903 59.992 -2.089 1
1 144 . 14 1 1 A 18 18 ILE C C 18 173.747 174.851 -1.104 1
1 145 . 14 1 1 A 18 18 ILE HA H 18 4.563 4.935 -0.372 1
1 150 . 14 1 1 A 19 19 LEU H H 19 8.940 8.968 -0.028 1
1 151 . 14 1 1 A 19 19 LEU N N 19 128.097 126.688 1.409 1
1 152 . 14 1 1 A 19 19 LEU CA C 19 51.419 50.841 0.578 1
1 153 . 14 1 1 A 20 20 PRO CA C 20 62.710 63.865 -1.155 1
1 154 . 14 1 1 A 20 20 PRO CB C 20 29.518 31.965 -2.447 1
1 155 . 14 1 1 A 20 20 PRO C C 20 173.966 177.207 -3.241 1
1 156 . 14 1 1 A 20 20 PRO HA H 20 4.319 4.525 -0.206 1
1 161 . 14 1 1 A 21 21 ASP H H 21 7.415 7.873 -0.458 1
1 162 . 14 1 1 A 21 21 ASP N N 21 114.000 118.791 -4.791 1
1 163 . 14 1 1 A 21 21 ASP CA C 21 51.361 54.447 -3.086 1
1 164 . 14 1 1 A 21 21 ASP CB C 21 37.419 41.434 -4.015 1
1 165 . 14 1 1 A 21 21 ASP C C 21 174.570 176.330 -1.760 1
1 166 . 14 1 1 A 21 21 ASP HA H 21 4.513 4.740 -0.227 1
1 169 . 14 1 1 A 22 22 GLY H H 22 8.404 8.286 0.118 1
1 170 . 14 1 1 A 22 22 GLY N N 22 109.100 107.445 1.655 1
1 171 . 14 1 1 A 22 22 GLY CA C 22 43.166 45.492 -2.326 1
1 172 . 14 1 1 A 22 22 GLY C C 22 172.565 174.246 -1.681 1
1 173 . 14 1 1 A 22 22 GLY HA3 H 22 4.632 4.271 0.361 1
1 174 . 14 1 1 A 22 22 GLY HA2 H 22 3.838 4.255 -0.417 1
1 175 . 14 1 1 A 23 23 THR H H 23 7.894 7.721 0.173 1
1 176 . 14 1 1 A 23 23 THR N N 23 116.800 114.456 2.344 1
1 177 . 14 1 1 A 23 23 THR CA C 23 61.304 61.293 0.011 1
1 178 . 14 1 1 A 23 23 THR CB C 23 67.455 71.668 -4.213 1
1 179 . 14 1 1 A 23 23 THR C C 23 170.170 172.669 -2.499 1
1 180 . 14 1 1 A 23 23 THR HA H 23 4.489 4.918 -0.429 1
1 185 . 14 1 1 A 24 24 VAL H H 24 7.792 9.061 -1.269 1
1 186 . 14 1 1 A 24 24 VAL N N 24 123.100 126.400 -3.300 1
1 187 . 14 1 1 A 24 24 VAL CA C 24 58.203 60.242 -2.039 1
1 188 . 14 1 1 A 24 24 VAL CB C 24 31.847 34.005 -2.158 1
1 189 . 14 1 1 A 24 24 VAL C C 24 171.629 174.302 -2.673 1
1 190 . 14 1 1 A 24 24 VAL HA H 24 5.084 5.074 0.010 1
1 195 . 14 1 1 A 25 25 ASP H H 25 8.906 8.838 0.068 1
1 196 . 14 1 1 A 25 25 ASP N N 25 131.200 126.320 4.880 1
1 197 . 14 1 1 A 25 25 ASP CA C 25 50.847 52.319 -1.472 1
1 198 . 14 1 1 A 25 25 ASP CB C 25 38.730 44.695 -5.965 1
1 199 . 14 1 1 A 25 25 ASP C C 25 170.281 175.064 -4.783 1
1 200 . 14 1 1 A 25 25 ASP HA H 25 4.313 5.358 -1.045 1
1 203 . 14 1 1 A 26 26 GLY H H 26 7.891 8.522 -0.631 1
1 204 . 14 1 1 A 26 26 GLY N N 26 102.500 107.147 -4.647 1
1 205 . 14 1 1 A 26 26 GLY CA C 26 42.057 45.238 -3.181 1
1 206 . 14 1 1 A 26 26 GLY C C 26 169.975 173.023 -3.048 1
1 207 . 14 1 1 A 26 26 GLY HA3 H 26 5.529 4.098 1.431 1
1 208 . 14 1 1 A 26 26 GLY HA2 H 26 3.015 4.073 -1.058 1
1 209 . 14 1 1 A 27 27 THR H H 27 8.529 9.071 -0.542 1
1 210 . 14 1 1 A 27 27 THR N N 27 112.700 118.580 -5.880 1
1 211 . 14 1 1 A 27 27 THR CA C 27 56.740 61.038 -4.298 1
1 212 . 14 1 1 A 27 27 THR CB C 27 67.326 72.516 -5.190 1
1 213 . 14 1 1 A 27 27 THR C C 27 170.554 173.131 -2.577 1
1 214 . 14 1 1 A 27 27 THR HA H 27 5.189 4.475 0.714 1
1 219 . 14 1 1 A 28 28 ARG H H 28 8.993 8.467 0.526 1
1 220 . 14 1 1 A 28 28 ARG N N 28 127.500 125.235 2.265 1
1 221 . 14 1 1 A 28 28 ARG CA C 28 54.938 55.934 -0.996 1
1 222 . 14 1 1 A 28 28 ARG CB C 28 37.260 30.990 6.270 1
1 223 . 14 1 1 A 28 28 ARG C C 28 173.450 175.033 -1.583 1
1 224 . 14 1 1 A 28 28 ARG HA H 28 4.691 4.703 -0.012 1
1 227 . 14 1 1 A 29 29 ASP H H 29 8.323 8.813 -0.490 1
1 228 . 14 1 1 A 29 29 ASP N N 29 121.000 125.214 -4.214 1
1 229 . 14 1 1 A 29 29 ASP CA C 29 50.779 54.199 -3.420 1
1 230 . 14 1 1 A 29 29 ASP C C 29 172.275 175.315 -3.040 1
1 231 . 14 1 1 A 29 29 ASP HA H 29 4.661 5.155 -0.494 1
1 234 . 14 1 1 A 30 30 ARG H H 30 8.342 8.721 -0.379 1
1 235 . 14 1 1 A 30 30 ARG N N 30 126.100 122.746 3.354 1
1 236 . 14 1 1 A 30 30 ARG CA C 30 54.924 55.130 -0.206 1
1 237 . 14 1 1 A 30 30 ARG CB C 30 28.367 30.501 -2.134 1
1 238 . 14 1 1 A 30 30 ARG C C 30 173.454 176.572 -3.118 1
1 239 . 14 1 1 A 30 30 ARG HA H 30 3.592 4.715 -1.123 1
1 243 . 14 1 1 A 31 31 SER H H 31 8.379 7.906 0.473 1
1 244 . 14 1 1 A 31 31 SER N N 31 113.600 114.077 -0.477 1
1 245 . 14 1 1 A 31 31 SER CA C 31 55.918 58.531 -2.613 1
1 246 . 14 1 1 A 31 31 SER CB C 31 61.807 64.044 -2.237 1
1 247 . 14 1 1 A 31 31 SER C C 31 171.758 173.379 -1.621 1
1 248 . 14 1 1 A 31 31 SER HA H 31 4.397 4.647 -0.250 1
1 251 . 14 1 1 A 32 32 ASP H H 32 7.105 7.660 -0.555 1
1 252 . 14 1 1 A 32 32 ASP N N 32 125.000 122.264 2.736 1
1 253 . 14 1 1 A 32 32 ASP CA C 32 53.116 51.986 1.130 1
1 254 . 14 1 1 A 32 32 ASP CB C 32 41.585 43.521 -1.936 1
1 255 . 14 1 1 A 32 32 ASP C C 32 174.497 175.712 -1.215 1
1 256 . 14 1 1 A 32 32 ASP HA H 32 4.276 4.951 -0.675 1
1 259 . 14 1 1 A 33 33 GLN H H 33 8.775 8.280 0.495 1
1 260 . 14 1 1 A 33 33 GLN N N 33 124.700 121.475 3.225 1
1 261 . 14 1 1 A 33 33 GLN CA C 33 55.127 54.821 0.306 1
1 262 . 14 1 1 A 33 33 GLN CB C 33 26.601 27.917 -1.316 1
1 263 . 14 1 1 A 33 33 GLN C C 33 174.900 175.903 -1.003 1
1 264 . 14 1 1 A 33 33 GLN HA H 33 4.061 4.519 -0.458 1
1 271 . 14 1 1 A 34 34 HIS H H 34 9.681 7.972 1.709 1
1 272 . 14 1 1 A 34 34 HIS N N 34 116.700 118.902 -2.202 1
1 273 . 14 1 1 A 34 34 HIS CA C 34 55.739 57.589 -1.850 1
1 274 . 14 1 1 A 34 34 HIS CB C 34 26.065 31.298 -5.233 1
1 275 . 14 1 1 A 34 34 HIS C C 34 172.307 176.286 -3.979 1
1 276 . 14 1 1 A 34 34 HIS HA H 34 4.885 4.597 0.288 1
1 279 . 14 1 1 A 35 35 ILE H H 35 6.711 7.404 -0.693 1
1 280 . 14 1 1 A 35 35 ILE N N 35 108.600 109.247 -0.647 1
1 281 . 14 1 1 A 35 35 ILE CA C 35 58.395 60.877 -2.482 1
1 282 . 14 1 1 A 35 35 ILE CB C 35 35.989 37.449 -1.460 1
1 283 . 14 1 1 A 35 35 ILE C C 35 172.249 175.915 -3.666 1
1 284 . 14 1 1 A 35 35 ILE HA H 35 5.114 4.365 0.749 1
1 293 . 14 1 1 A 36 36 GLN H H 36 7.148 7.932 -0.784 1
1 294 . 14 1 1 A 36 36 GLN N N 36 120.018 120.827 -0.809 1
1 295 . 14 1 1 A 36 36 GLN CA C 36 55.111 55.056 0.055 1
1 296 . 14 1 1 A 36 36 GLN CB C 36 25.190 29.834 -4.644 1
1 297 . 14 1 1 A 36 36 GLN C C 36 172.952 174.780 -1.828 1
1 298 . 14 1 1 A 36 36 GLN HA H 36 4.261 4.849 -0.588 1
1 305 . 14 1 1 A 37 37 LEU H H 37 9.110 8.750 0.360 1
1 306 . 14 1 1 A 37 37 LEU N N 37 127.600 123.488 4.112 1
1 307 . 14 1 1 A 37 37 LEU CA C 37 51.329 53.171 -1.842 1
1 308 . 14 1 1 A 37 37 LEU CB C 37 42.165 44.571 -2.406 1
1 309 . 14 1 1 A 37 37 LEU C C 37 172.877 175.625 -2.748 1
1 310 . 14 1 1 A 37 37 LEU HA H 37 5.315 5.272 0.043 1
1 319 . 14 1 1 A 38 38 GLN H H 38 9.556 8.872 0.684 1
1 320 . 14 1 1 A 38 38 GLN N N 38 120.583 121.460 -0.877 1
1 321 . 14 1 1 A 38 38 GLN CA C 38 51.810 55.214 -3.404 1
1 322 . 14 1 1 A 38 38 GLN CB C 38 29.259 29.159 0.100 1
1 323 . 14 1 1 A 38 38 GLN C C 38 172.676 174.405 -1.729 1
1 324 . 14 1 1 A 38 38 GLN HA H 38 4.623 4.675 -0.052 1
1 328 . 14 1 1 A 39 39 LEU H H 39 8.926 8.884 0.042 1
1 329 . 14 1 1 A 39 39 LEU N N 39 131.700 127.818 3.882 1
1 330 . 14 1 1 A 39 39 LEU CA C 39 53.062 54.080 -1.018 1
1 331 . 14 1 1 A 39 39 LEU C C 39 174.601 174.975 -0.374 1
1 332 . 14 1 1 A 39 39 LEU HA H 39 5.506 4.898 0.608 1
1 341 . 14 1 1 A 40 40 SER H H 40 8.569 8.816 -0.247 1
1 342 . 14 1 1 A 40 40 SER N N 40 115.900 124.573 -8.673 1
1 343 . 14 1 1 A 40 40 SER CA C 40 54.925 57.429 -2.504 1
1 344 . 14 1 1 A 40 40 SER CB C 40 46.694 66.294 -19.600 1
1 345 . 14 1 1 A 40 40 SER C C 40 170.046 172.906 -2.860 1
1 346 . 14 1 1 A 40 40 SER HA H 40 4.676 5.219 -0.543 1
1 349 . 14 1 1 A 41 41 ALA H H 41 8.357 8.573 -0.216 1
1 350 . 14 1 1 A 41 41 ALA N N 41 125.900 124.725 1.175 1
1 351 . 14 1 1 A 41 41 ALA CA C 41 49.309 50.703 -1.394 1
1 352 . 14 1 1 A 41 41 ALA CB C 41 27.376 19.920 7.456 1
1 353 . 14 1 1 A 41 41 ALA C C 41 175.352 177.106 -1.754 1
1 354 . 14 1 1 A 41 41 ALA HA H 41 5.016 4.746 0.270 1
1 358 . 14 1 1 A 42 42 GLU H H 42 8.485 8.691 -0.206 1
1 359 . 14 1 1 A 42 42 GLU N N 42 125.400 126.428 -1.028 1
1 360 . 14 1 1 A 42 42 GLU CA C 42 54.611 57.737 -3.126 1
1 361 . 14 1 1 A 42 42 GLU CB C 42 28.181 30.741 -2.560 1
1 362 . 14 1 1 A 42 42 GLU C C 42 174.014 175.465 -1.451 1
1 363 . 14 1 1 A 42 42 GLU HA H 42 4.444 4.324 0.120 1
1 368 . 14 1 1 A 43 43 SER H H 43 8.020 7.967 0.053 1
1 369 . 14 1 1 A 43 43 SER N N 43 113.900 114.129 -0.229 1
1 370 . 14 1 1 A 43 43 SER CA C 43 55.014 57.642 -2.628 1
1 371 . 14 1 1 A 43 43 SER CB C 43 61.687 65.693 -4.006 1
1 372 . 14 1 1 A 43 43 SER C C 43 171.119 173.817 -2.698 1
1 373 . 14 1 1 A 43 43 SER HA H 43 4.516 4.753 -0.237 1
1 376 . 14 1 1 A 44 44 VAL H H 44 8.113 8.521 -0.408 1
1 377 . 14 1 1 A 44 44 VAL N N 44 121.100 124.901 -3.801 1
1 378 . 14 1 1 A 44 44 VAL CA C 44 62.838 63.544 -0.706 1
1 379 . 14 1 1 A 44 44 VAL CB C 44 28.991 31.381 -2.390 1
1 380 . 14 1 1 A 44 44 VAL C C 44 175.533 176.735 -1.202 1
1 381 . 14 1 1 A 44 44 VAL HA H 44 3.868 3.849 0.019 1
1 389 . 14 1 1 A 45 45 GLY H H 45 8.807 8.960 -0.153 1
1 390 . 14 1 1 A 45 45 GLY N N 45 115.545 116.940 -1.395 1
1 391 . 14 1 1 A 45 45 GLY CA C 45 43.553 45.110 -1.557 1
1 392 . 14 1 1 A 45 45 GLY C C 45 170.948 174.342 -3.394 1
1 393 . 14 1 1 A 45 45 GLY HA3 H 45 4.296 4.024 0.272 1
1 394 . 14 1 1 A 45 45 GLY HA2 H 45 3.995 4.018 -0.023 1
1 395 . 14 1 1 A 46 46 GLU H H 46 7.985 7.715 0.270 1
1 396 . 14 1 1 A 46 46 GLU N N 46 121.200 119.567 1.633 1
1 397 . 14 1 1 A 46 46 GLU CA C 46 52.751 55.748 -2.997 1
1 398 . 14 1 1 A 46 46 GLU CB C 46 29.432 30.952 -1.520 1
1 399 . 14 1 1 A 46 46 GLU C C 46 173.583 176.109 -2.526 1
1 400 . 14 1 1 A 46 46 GLU HA H 46 5.442 4.624 0.818 1
1 405 . 14 1 1 A 47 47 VAL H H 47 9.560 9.070 0.490 1
1 406 . 14 1 1 A 47 47 VAL N N 47 116.400 117.492 -1.092 1
1 407 . 14 1 1 A 47 47 VAL CA C 47 56.846 60.218 -3.372 1
1 408 . 14 1 1 A 47 47 VAL CB C 47 33.714 33.927 -0.213 1
1 409 . 14 1 1 A 47 47 VAL C C 47 172.960 173.662 -0.702 1
1 410 . 14 1 1 A 47 47 VAL HA H 47 5.505 4.970 0.535 1
1 418 . 14 1 1 A 48 48 TYR H H 48 8.415 9.076 -0.661 1
1 419 . 14 1 1 A 48 48 TYR N N 48 117.400 126.152 -8.752 1
1 420 . 14 1 1 A 48 48 TYR CA C 48 54.331 55.669 -1.338 1
1 421 . 14 1 1 A 48 48 TYR CB C 48 39.296 41.559 -2.263 1
1 422 . 14 1 1 A 48 48 TYR C C 48 173.423 173.760 -0.337 1
1 423 . 14 1 1 A 48 48 TYR HA H 48 5.290 5.232 0.058 1
1 426 . 14 1 1 A 49 49 ILE H H 49 10.532 8.490 2.042 1
1 427 . 14 1 1 A 49 49 ILE N N 49 123.100 128.233 -5.133 1
1 428 . 14 1 1 A 49 49 ILE CA C 49 59.573 60.191 -0.618 1
1 429 . 14 1 1 A 49 49 ILE CB C 49 40.504 37.667 2.837 1
1 430 . 14 1 1 A 49 49 ILE C C 49 170.853 174.555 -3.702 1
1 431 . 14 1 1 A 49 49 ILE HA H 49 4.341 4.545 -0.204 1
1 438 . 14 1 1 A 50 50 LYS H H 50 8.511 8.631 -0.120 1
1 439 . 14 1 1 A 50 50 LYS N N 50 125.800 129.718 -3.918 1
1 440 . 14 1 1 A 50 50 LYS CA C 50 51.179 54.254 -3.075 1
1 441 . 14 1 1 A 50 50 LYS CB C 50 34.816 36.150 -1.334 1
1 442 . 14 1 1 A 50 50 LYS C C 50 173.759 175.465 -1.706 1
1 443 . 14 1 1 A 50 50 LYS HA H 50 4.991 4.955 0.036 1
1 451 . 14 1 1 A 51 51 SER H H 51 8.920 8.870 0.050 1
1 452 . 14 1 1 A 51 51 SER N N 51 117.579 120.631 -3.052 1
1 453 . 14 1 1 A 51 51 SER CA C 51 55.043 57.553 -2.510 1
1 454 . 14 1 1 A 51 51 SER CB C 51 61.065 63.566 -2.501 1
1 455 . 14 1 1 A 51 51 SER C C 51 175.084 174.108 0.976 1
1 456 . 14 1 1 A 51 51 SER HA H 51 4.666 4.632 0.034 1
1 459 . 14 1 1 A 52 52 THR H H 52 8.342 8.145 0.197 1
1 460 . 14 1 1 A 52 52 THR N N 52 123.200 122.471 0.729 1
1 461 . 14 1 1 A 52 52 THR CA C 52 62.792 64.734 -1.942 1
1 462 . 14 1 1 A 52 52 THR CB C 52 65.611 68.961 -3.350 1
1 463 . 14 1 1 A 52 52 THR C C 52 173.566 176.673 -3.107 1
1 464 . 14 1 1 A 52 52 THR HA H 52 3.996 4.091 -0.095 1
1 469 . 14 1 1 A 53 53 GLU H H 53 8.312 7.988 0.324 1
1 470 . 14 1 1 A 53 53 GLU N N 53 122.000 120.573 1.427 1
1 471 . 14 1 1 A 53 53 GLU CA C 53 55.889 58.334 -2.445 1
1 472 . 14 1 1 A 53 53 GLU CB C 53 28.359 30.456 -2.097 1
1 473 . 14 1 1 A 53 53 GLU C C 53 175.327 177.885 -2.558 1
1 474 . 14 1 1 A 53 53 GLU HA H 53 4.311 4.192 0.119 1
1 477 . 14 1 1 A 54 54 THR H H 54 7.724 7.930 -0.206 1
1 478 . 14 1 1 A 54 54 THR N N 54 103.100 111.010 -7.910 1
1 479 . 14 1 1 A 54 54 THR CA C 54 58.555 62.006 -3.451 1
1 480 . 14 1 1 A 54 54 THR CB C 54 69.030 69.379 -0.349 1
1 481 . 14 1 1 A 54 54 THR C C 54 173.942 175.524 -1.582 1
1 482 . 14 1 1 A 54 54 THR HA H 54 4.681 4.701 -0.020 1
1 487 . 14 1 1 A 55 55 GLY H H 55 7.643 8.224 -0.581 1
1 488 . 14 1 1 A 55 55 GLY N N 55 110.700 110.678 0.022 1
1 489 . 14 1 1 A 55 55 GLY CA C 55 43.594 45.703 -2.109 1
1 490 . 14 1 1 A 55 55 GLY HA3 H 55 4.150 3.989 0.161 1
1 491 . 14 1 1 A 55 55 GLY HA2 H 55 3.591 3.976 -0.385 1
1 492 . 14 1 1 A 55 55 GLY C C 55 170.694 174.262 -3.568 1
1 493 . 14 1 1 A 56 56 GLN H H 56 7.211 7.606 -0.395 1
1 494 . 14 1 1 A 56 56 GLN N N 56 115.700 115.713 -0.013 1
1 495 . 14 1 1 A 56 56 GLN CA C 56 53.898 55.605 -1.707 1
1 496 . 14 1 1 A 56 56 GLN CB C 56 30.456 32.236 -1.780 1
1 497 . 14 1 1 A 56 56 GLN C C 56 172.141 173.156 -1.015 1
1 498 . 14 1 1 A 56 56 GLN HA H 56 4.311 4.563 -0.252 1
1 504 . 14 1 1 A 57 57 TYR H H 57 9.254 8.956 0.298 1
1 505 . 14 1 1 A 57 57 TYR N N 57 119.400 124.619 -5.219 1
1 506 . 14 1 1 A 57 57 TYR CA C 57 53.356 55.948 -2.592 1
1 507 . 14 1 1 A 57 57 TYR CB C 57 40.466 37.540 2.926 1
1 508 . 14 1 1 A 57 57 TYR C C 57 173.320 174.064 -0.744 1
1 509 . 14 1 1 A 57 57 TYR HA H 57 4.128 5.781 -1.653 1
1 512 . 14 1 1 A 58 58 LEU H H 58 9.126 8.438 0.688 1
1 513 . 14 1 1 A 58 58 LEU N N 58 123.600 128.229 -4.629 1
1 514 . 14 1 1 A 58 58 LEU CA C 58 53.256 55.717 -2.461 1
1 515 . 14 1 1 A 58 58 LEU CB C 58 40.466 42.044 -1.578 1
1 516 . 14 1 1 A 58 58 LEU C C 58 172.320 174.845 -2.525 1
1 517 . 14 1 1 A 58 58 LEU HA H 58 4.128 4.240 -0.112 1
1 524 . 14 1 1 A 59 59 ALA H H 59 8.656 8.023 0.633 1
1 525 . 14 1 1 A 59 59 ALA N N 59 126.947 128.479 -1.532 1
1 526 . 14 1 1 A 59 59 ALA CA C 59 48.450 50.589 -2.139 1
1 527 . 14 1 1 A 59 59 ALA CB C 59 21.261 20.529 0.732 1
1 528 . 14 1 1 A 59 59 ALA C C 59 172.722 175.463 -2.741 1
1 529 . 14 1 1 A 59 59 ALA HA H 59 5.124 4.753 0.371 1
1 533 . 14 1 1 A 60 60 MET H H 60 7.521 8.607 -1.086 1
1 534 . 14 1 1 A 60 60 MET N N 60 116.602 122.768 -6.166 1
1 535 . 14 1 1 A 60 60 MET CA C 60 52.251 53.900 -1.649 1
1 536 . 14 1 1 A 60 60 MET CB C 60 35.046 32.634 2.412 1
1 537 . 14 1 1 A 60 60 MET C C 60 173.753 174.892 -1.139 1
1 538 . 14 1 1 A 60 60 MET HA H 60 5.527 4.960 0.567 1
1 543 . 14 1 1 A 61 61 ASP H H 61 9.159 8.642 0.517 1
1 544 . 14 1 1 A 61 61 ASP N N 61 128.445 125.230 3.215 1
1 545 . 14 1 1 A 61 61 ASP CA C 61 51.480 52.789 -1.309 1
1 546 . 14 1 1 A 61 61 ASP CB C 61 39.346 42.676 -3.330 1
1 547 . 14 1 1 A 61 61 ASP C C 61 175.800 175.863 -0.063 1
1 548 . 14 1 1 A 61 61 ASP HA H 61 5.046 5.050 -0.004 1
1 551 . 14 1 1 A 62 62 THR H H 62 7.972 9.049 -1.077 1
1 552 . 14 1 1 A 62 62 THR N N 62 107.806 117.820 -10.014 1
1 553 . 14 1 1 A 62 62 THR CA C 62 62.626 65.960 -3.334 1
1 554 . 14 1 1 A 62 62 THR CB C 62 66.955 67.217 -0.262 1
1 555 . 14 1 1 A 62 62 THR C C 62 172.355 173.587 -1.232 1
1 556 . 14 1 1 A 62 62 THR HA H 62 4.134 3.966 0.168 1
1 561 . 14 1 1 A 63 63 ASP H H 63 8.333 8.568 -0.235 1
1 562 . 14 1 1 A 63 63 ASP N N 63 119.831 119.069 0.762 1
1 563 . 14 1 1 A 63 63 ASP CA C 63 51.865 53.584 -1.719 1
1 564 . 14 1 1 A 63 63 ASP CB C 63 39.182 42.232 -3.050 1
1 565 . 14 1 1 A 63 63 ASP C C 63 174.438 177.617 -3.179 1
1 566 . 14 1 1 A 63 63 ASP HA H 63 4.964 4.818 0.146 1
1 569 . 14 1 1 A 64 64 GLY H H 64 8.264 8.077 0.187 1
1 570 . 14 1 1 A 64 64 GLY N N 64 109.142 108.327 0.815 1
1 571 . 14 1 1 A 64 64 GLY CA C 64 42.923 46.390 -3.467 1
1 572 . 14 1 1 A 64 64 GLY C C 64 171.248 173.930 -2.682 1
1 573 . 14 1 1 A 64 64 GLY HA3 H 64 3.652 4.263 -0.611 1
1 574 . 14 1 1 A 64 64 GLY HA2 H 64 3.397 4.180 -0.783 1
1 575 . 14 1 1 A 65 65 LEU H H 65 8.636 7.797 0.839 1
1 576 . 14 1 1 A 65 65 LEU N N 65 123.137 118.935 4.202 1
1 577 . 14 1 1 A 65 65 LEU CA C 65 52.224 53.299 -1.075 1
1 578 . 14 1 1 A 65 65 LEU CB C 65 40.557 44.294 -3.737 1
1 579 . 14 1 1 A 65 65 LEU C C 65 174.507 175.685 -1.178 1
1 580 . 14 1 1 A 65 65 LEU HA H 65 4.529 5.000 -0.471 1
1 590 . 14 1 1 A 66 66 LEU H H 66 7.431 9.041 -1.610 1
1 591 . 14 1 1 A 66 66 LEU N N 66 124.493 123.035 1.458 1
1 592 . 14 1 1 A 66 66 LEU CA C 66 51.635 53.298 -1.663 1
1 593 . 14 1 1 A 66 66 LEU CB C 66 40.474 43.144 -2.670 1
1 594 . 14 1 1 A 66 66 LEU C C 66 174.070 175.717 -1.647 1
1 595 . 14 1 1 A 66 66 LEU HA H 66 5.714 5.077 0.637 1
1 605 . 14 1 1 A 67 67 TYR H H 67 9.237 8.915 0.322 1
1 606 . 14 1 1 A 67 67 TYR N N 67 120.360 122.783 -2.423 1
1 607 . 14 1 1 A 67 67 TYR CA C 67 54.076 55.103 -1.027 1
1 608 . 14 1 1 A 67 67 TYR CB C 67 38.903 42.191 -3.288 1
1 609 . 14 1 1 A 67 67 TYR C C 67 169.640 173.905 -4.265 1
1 610 . 14 1 1 A 67 67 TYR HA H 67 5.023 5.845 -0.822 1
1 612 . 14 1 1 A 68 68 GLY H H 68 8.928 8.441 0.487 1
1 613 . 14 1 1 A 68 68 GLY N N 68 105.646 106.563 -0.917 1
1 614 . 14 1 1 A 68 68 GLY CA C 68 41.569 45.559 -3.990 1
1 615 . 14 1 1 A 68 68 GLY C C 68 170.551 173.431 -2.880 1
1 616 . 14 1 1 A 68 68 GLY HA2 H 68 4.676 4.139 0.537 1
1 617 . 14 1 1 A 69 69 SER H H 69 9.608 9.302 0.306 1
1 618 . 14 1 1 A 69 69 SER N N 69 120.100 115.520 4.580 1
1 619 . 14 1 1 A 69 69 SER CA C 69 53.737 59.591 -5.854 1
1 620 . 14 1 1 A 69 69 SER CB C 69 63.042 65.498 -2.456 1
1 621 . 14 1 1 A 69 69 SER C C 69 174.219 175.565 -1.346 1
1 622 . 14 1 1 A 69 69 SER HA H 69 4.966 4.969 -0.003 1
1 625 . 14 1 1 A 70 70 GLN H H 70 9.343 8.210 1.133 1
1 626 . 14 1 1 A 70 70 GLN N N 70 127.339 117.109 10.230 1
1 627 . 14 1 1 A 70 70 GLN CA C 70 56.139 57.792 -1.653 1
1 628 . 14 1 1 A 70 70 GLN CB C 70 27.092 28.847 -1.755 1
1 629 . 14 1 1 A 70 70 GLN C C 70 173.241 175.012 -1.771 1
1 630 . 14 1 1 A 70 70 GLN HA H 70 4.286 4.344 -0.058 1
1 638 . 14 1 1 A 71 71 THR H H 71 7.532 7.918 -0.386 1
1 639 . 14 1 1 A 71 71 THR N N 71 108.100 112.945 -4.845 1
1 640 . 14 1 1 A 71 71 THR CA C 71 55.203 59.279 -4.076 1
1 641 . 14 1 1 A 71 71 THR HA H 71 4.780 4.982 -0.202 1
1 643 . 14 1 1 A 72 72 PRO CA C 72 60.050 62.085 -2.035 1
1 644 . 14 1 1 A 72 72 PRO CB C 72 26.678 31.312 -4.634 1
1 645 . 14 1 1 A 72 72 PRO C C 72 172.920 175.904 -2.984 1
1 646 . 14 1 1 A 72 72 PRO HA H 72 4.173 4.906 -0.733 1
1 649 . 14 1 1 A 73 73 ASN H H 73 7.321 8.536 -1.215 1
1 650 . 14 1 1 A 73 73 ASN N N 73 119.200 120.409 -1.209 1
1 651 . 14 1 1 A 73 73 ASN CA C 73 49.994 51.857 -1.863 1
1 652 . 14 1 1 A 74 74 GLU H H 74 9.030 8.485 0.545 1
1 653 . 14 1 1 A 74 74 GLU CA C 74 57.131 55.487 1.644 1
1 654 . 14 1 1 A 74 74 GLU CB C 74 27.005 30.228 -3.223 1
1 655 . 14 1 1 A 74 74 GLU C C 74 176.352 176.516 -0.164 1
1 656 . 14 1 1 A 74 74 GLU HA H 74 4.130 4.679 -0.549 1
1 661 . 14 1 1 A 75 75 GLU H H 75 8.574 8.466 0.108 1
1 662 . 14 1 1 A 75 75 GLU N N 75 119.200 122.766 -3.566 1
1 663 . 14 1 1 A 75 75 GLU CA C 75 56.343 56.378 -0.035 1
1 664 . 14 1 1 A 75 75 GLU CB C 75 26.028 31.312 -5.284 1
1 665 . 14 1 1 A 75 75 GLU C C 75 173.866 176.965 -3.099 1
1 666 . 14 1 1 A 75 75 GLU HA H 75 4.206 4.536 -0.330 1
1 671 . 14 1 1 A 76 76 CYS H H 76 7.727 7.878 -0.151 1
1 672 . 14 1 1 A 76 76 CYS N N 76 113.800 117.393 -3.593 1
1 673 . 14 1 1 A 76 76 CYS CA C 76 55.635 60.387 -4.752 1
1 674 . 14 1 1 A 76 76 CYS CB C 76 26.036 26.860 -0.824 1
1 675 . 14 1 1 A 76 76 CYS C C 76 170.849 174.375 -3.526 1
1 676 . 14 1 1 A 76 76 CYS HA H 76 5.426 3.934 1.492 1
1 679 . 14 1 1 A 77 77 LEU H H 77 6.241 7.160 -0.919 1
1 680 . 14 1 1 A 77 77 LEU N N 77 118.069 120.208 -2.139 1
1 681 . 14 1 1 A 77 77 LEU CA C 77 51.793 53.701 -1.908 1
1 682 . 14 1 1 A 77 77 LEU CB C 77 42.123 42.963 -0.840 1
1 683 . 14 1 1 A 77 77 LEU C C 77 173.882 175.984 -2.102 1
1 684 . 14 1 1 A 77 77 LEU HA H 77 4.555 3.888 0.667 1
1 694 . 14 1 1 A 78 78 PHE H H 78 9.067 8.653 0.414 1
1 695 . 14 1 1 A 78 78 PHE N N 78 122.377 119.650 2.727 1
1 696 . 14 1 1 A 78 78 PHE CA C 78 54.917 56.280 -1.363 1
1 697 . 14 1 1 A 78 78 PHE CB C 78 40.597 43.298 -2.701 1
1 698 . 14 1 1 A 78 78 PHE C C 78 171.853 174.811 -2.958 1
1 699 . 14 1 1 A 78 78 PHE HA H 78 5.169 5.087 0.082 1
1 702 . 14 1 1 A 79 79 LEU H H 79 9.958 9.038 0.920 1
1 703 . 14 1 1 A 79 79 LEU N N 79 122.126 123.547 -1.421 1
1 704 . 14 1 1 A 79 79 LEU CA C 79 51.232 54.356 -3.124 1
1 705 . 14 1 1 A 79 79 LEU CB C 79 38.511 44.518 -6.007 1
1 706 . 14 1 1 A 79 79 LEU C C 79 173.055 175.620 -2.565 1
1 707 . 14 1 1 A 79 79 LEU HA H 79 4.686 4.939 -0.253 1
1 713 . 14 1 1 A 80 80 GLU H H 80 8.347 8.525 -0.178 1
1 714 . 14 1 1 A 80 80 GLU N N 80 126.300 127.744 -1.444 1
1 715 . 14 1 1 A 80 80 GLU CA C 80 52.558 55.331 -2.773 1
1 716 . 14 1 1 A 80 80 GLU CB C 80 30.892 31.696 -0.804 1
1 717 . 14 1 1 A 80 80 GLU C C 80 173.355 175.347 -1.992 1
1 718 . 14 1 1 A 80 80 GLU HA H 80 4.832 5.203 -0.371 1
1 721 . 14 1 1 A 81 81 ARG H H 81 8.840 8.843 -0.003 1
1 722 . 14 1 1 A 81 81 ARG N N 81 129.522 129.524 -0.002 1
1 723 . 14 1 1 A 81 81 ARG CA C 81 52.288 54.433 -2.145 1
1 724 . 14 1 1 A 81 81 ARG CB C 81 38.588 33.835 4.753 1
1 725 . 14 1 1 A 81 81 ARG C C 81 172.258 174.423 -2.165 1
1 726 . 14 1 1 A 81 81 ARG HA H 81 4.659 5.086 -0.427 1
1 732 . 14 1 1 A 82 82 LEU H H 82 8.347 8.883 -0.536 1
1 733 . 14 1 1 A 82 82 LEU N N 82 125.700 128.553 -2.853 1
1 734 . 14 1 1 A 82 82 LEU CA C 82 52.631 53.602 -0.971 1
1 735 . 14 1 1 A 82 82 LEU CB C 82 40.304 43.255 -2.951 1
1 736 . 14 1 1 A 82 82 LEU C C 82 174.567 175.649 -1.082 1
1 737 . 14 1 1 A 82 82 LEU HA H 82 4.875 5.065 -0.190 1
1 744 . 14 1 1 A 83 83 GLU H H 83 9.064 8.795 0.269 1
1 745 . 14 1 1 A 83 83 GLU N N 83 125.600 124.997 0.603 1
1 746 . 14 1 1 A 83 83 GLU CA C 83 51.723 56.077 -4.354 1
1 747 . 14 1 1 A 83 83 GLU CB C 83 43.703 31.697 12.006 1
1 748 . 14 1 1 A 83 83 GLU C C 83 174.885 177.288 -2.403 1
1 749 . 14 1 1 A 83 83 GLU HA H 83 4.974 4.668 0.306 1
1 752 . 14 1 1 A 84 84 GLU H H 84 8.806 9.252 -0.446 1
1 753 . 14 1 1 A 84 84 GLU N N 84 120.300 125.342 -5.042 1
1 754 . 14 1 1 A 84 84 GLU CA C 84 55.553 56.788 -1.235 1
1 755 . 14 1 1 A 84 84 GLU CB C 84 27.117 29.702 -2.585 1
1 756 . 14 1 1 A 84 84 GLU C C 84 174.261 176.461 -2.200 1
1 757 . 14 1 1 A 84 84 GLU HA H 84 4.112 4.387 -0.275 1
1 761 . 14 1 1 A 85 85 ASN H H 85 8.429 7.874 0.555 1
1 762 . 14 1 1 A 85 85 ASN N N 85 114.800 120.291 -5.491 1
1 763 . 14 1 1 A 85 85 ASN CA C 85 51.788 51.997 -0.209 1
1 764 . 14 1 1 A 85 85 ASN CB C 85 35.301 38.510 -3.209 1
1 765 . 14 1 1 A 85 85 ASN C C 85 172.203 174.772 -2.569 1
1 766 . 14 1 1 A 85 85 ASN HA H 85 4.343 4.872 -0.529 1
1 769 . 14 1 1 A 86 86 HIS H H 86 8.081 7.814 0.267 1
1 770 . 14 1 1 A 86 86 HIS N N 86 108.737 113.299 -4.562 1
1 771 . 14 1 1 A 86 86 HIS CA C 86 55.255 56.816 -1.561 1
1 772 . 14 1 1 A 86 86 HIS CB C 86 24.858 26.579 -1.721 1
1 773 . 14 1 1 A 86 86 HIS C C 86 171.039 173.344 -2.305 1
1 774 . 14 1 1 A 86 86 HIS HA H 86 4.260 4.085 0.175 1
1 777 . 14 1 1 A 87 87 TYR H H 87 7.592 7.554 0.038 1
1 778 . 14 1 1 A 87 87 TYR N N 87 117.738 118.272 -0.534 1
1 779 . 14 1 1 A 87 87 TYR CA C 87 56.163 57.332 -1.169 1
1 780 . 14 1 1 A 87 87 TYR CB C 87 38.643 42.330 -3.687 1
1 781 . 14 1 1 A 87 87 TYR C C 87 171.983 174.904 -2.921 1
1 782 . 14 1 1 A 87 87 TYR HA H 87 4.836 5.079 -0.243 1
1 784 . 14 1 1 A 88 88 ASN H H 88 9.840 9.482 0.358 1
1 785 . 14 1 1 A 88 88 ASN N N 88 118.891 119.843 -0.952 1
1 786 . 14 1 1 A 88 88 ASN CA C 88 50.063 51.651 -1.588 1
1 787 . 14 1 1 A 88 88 ASN CB C 88 40.242 41.169 -0.927 1
1 788 . 14 1 1 A 88 88 ASN C C 88 172.471 174.225 -1.754 1
1 789 . 14 1 1 A 88 88 ASN HA H 88 5.837 5.705 0.132 1
1 795 . 14 1 1 A 89 89 THR H H 89 8.380 8.876 -0.496 1
1 796 . 14 1 1 A 89 89 THR N N 89 108.521 115.318 -6.797 1
1 797 . 14 1 1 A 89 89 THR CA C 89 57.357 60.915 -3.558 1
1 798 . 14 1 1 A 89 89 THR CB C 89 70.868 71.955 -1.087 1
1 799 . 14 1 1 A 89 89 THR C C 89 170.548 172.979 -2.431 1
1 800 . 14 1 1 A 89 89 THR HA H 89 5.127 5.414 -0.287 1
1 805 . 14 1 1 A 90 90 TYR H H 90 10.247 9.146 1.101 1
1 806 . 14 1 1 A 90 90 TYR N N 90 119.000 124.000 -5.000 1
1 807 . 14 1 1 A 90 90 TYR CA C 90 55.106 56.270 -1.164 1
1 808 . 14 1 1 A 90 90 TYR CB C 90 39.047 41.292 -2.245 1
1 809 . 14 1 1 A 90 90 TYR C C 90 172.442 174.590 -2.148 1
1 810 . 14 1 1 A 90 90 TYR HA H 90 5.472 5.274 0.198 1
1 812 . 14 1 1 A 91 91 ILE H H 91 8.781 9.306 -0.525 1
1 813 . 14 1 1 A 91 91 ILE N N 91 122.546 124.755 -2.209 1
1 814 . 14 1 1 A 91 91 ILE CA C 91 56.346 59.693 -3.347 1
1 815 . 14 1 1 A 91 91 ILE CB C 91 36.627 40.082 -3.455 1
1 816 . 14 1 1 A 91 91 ILE C C 91 172.924 175.038 -2.114 1
1 817 . 14 1 1 A 91 91 ILE HA H 91 4.673 4.776 -0.103 1
1 826 . 14 1 1 A 92 92 SER H H 92 8.191 8.642 -0.451 1
1 827 . 14 1 1 A 92 92 SER N N 92 120.200 118.860 1.340 1
1 828 . 14 1 1 A 92 92 SER CA C 92 55.781 57.448 -1.667 1
1 829 . 14 1 1 A 92 92 SER CB C 92 62.382 63.661 -1.279 1
1 830 . 14 1 1 A 92 92 SER C C 92 172.863 174.700 -1.837 1
1 831 . 14 1 1 A 92 92 SER HA H 92 4.016 5.113 -1.097 1
1 833 . 14 1 1 A 93 93 LYS H H 93 7.993 8.430 -0.437 1
1 834 . 14 1 1 A 93 93 LYS N N 93 130.618 125.985 4.633 1
1 835 . 14 1 1 A 93 93 LYS CA C 93 57.942 58.517 -0.575 1
1 836 . 14 1 1 A 93 93 LYS CB C 93 30.889 32.320 -1.431 1
1 837 . 14 1 1 A 93 93 LYS C C 93 176.938 177.772 -0.834 1
1 838 . 14 1 1 A 93 93 LYS HA H 93 3.779 4.153 -0.374 1
1 844 . 14 1 1 A 94 94 LYS H H 94 8.616 7.879 0.737 1
1 845 . 14 1 1 A 94 94 LYS N N 94 120.044 119.635 0.409 1
1 846 . 14 1 1 A 94 94 LYS CA C 94 55.868 58.894 -3.026 1
1 847 . 14 1 1 A 94 94 LYS CB C 94 30.329 32.655 -2.326 1
1 848 . 14 1 1 A 94 94 LYS C C 94 174.491 177.861 -3.370 1
1 849 . 14 1 1 A 94 94 LYS HA H 94 3.851 4.073 -0.222 1
1 856 . 14 1 1 A 95 95 HIS H H 95 7.249 8.256 -1.007 1
1 857 . 14 1 1 A 95 95 HIS N N 95 114.486 116.117 -1.631 1
1 858 . 14 1 1 A 95 95 HIS CA C 95 51.180 54.614 -3.434 1
1 859 . 14 1 1 A 95 95 HIS CB C 95 26.844 28.209 -1.365 1
1 860 . 14 1 1 A 95 95 HIS C C 95 173.734 175.855 -2.121 1
1 861 . 14 1 1 A 95 95 HIS HA H 95 4.604 4.749 -0.145 1
1 864 . 14 1 1 A 96 96 ALA H H 96 7.104 7.819 -0.715 1
1 865 . 14 1 1 A 96 96 ALA N N 96 125.204 123.992 1.212 1
1 866 . 14 1 1 A 96 96 ALA CA C 96 53.758 55.523 -1.765 1
1 867 . 14 1 1 A 96 96 ALA CB C 96 16.578 18.520 -1.942 1
1 868 . 14 1 1 A 96 96 ALA C C 96 178.508 179.693 -1.185 1
1 869 . 14 1 1 A 96 96 ALA HA H 96 4.131 3.836 0.295 1
1 873 . 14 1 1 A 97 97 GLU H H 97 8.857 8.078 0.779 1
1 874 . 14 1 1 A 97 97 GLU N N 97 118.007 118.882 -0.875 1
1 875 . 14 1 1 A 97 97 GLU CA C 97 56.153 58.684 -2.531 1
1 876 . 14 1 1 A 97 97 GLU CB C 97 26.241 29.422 -3.181 1
1 877 . 14 1 1 A 97 97 GLU C C 97 174.813 177.696 -2.883 1
1 878 . 14 1 1 A 97 97 GLU HA H 97 4.063 4.105 -0.042 1
1 882 . 14 1 1 A 98 98 LYS H H 98 7.116 7.546 -0.430 1
1 883 . 14 1 1 A 98 98 LYS N N 98 116.241 117.195 -0.954 1
1 884 . 14 1 1 A 98 98 LYS CA C 98 52.852 56.232 -3.380 1
1 885 . 14 1 1 A 98 98 LYS CB C 98 29.959 32.568 -2.609 1
1 886 . 14 1 1 A 98 98 LYS C C 98 173.361 176.476 -3.115 1
1 887 . 14 1 1 A 98 98 LYS HA H 98 4.280 4.473 -0.193 1
1 893 . 14 1 1 A 99 99 ASN H H 99 7.842 8.290 -0.448 1
1 894 . 14 1 1 A 99 99 ASN N N 99 113.000 116.379 -3.379 1
1 895 . 14 1 1 A 99 99 ASN CA C 99 52.240 54.601 -2.361 1
1 896 . 14 1 1 A 99 99 ASN CB C 99 35.289 37.972 -2.683 1
1 897 . 14 1 1 A 99 99 ASN C C 99 170.506 174.544 -4.038 1
1 898 . 14 1 1 A 99 99 ASN HA H 99 3.772 4.288 -0.516 1
1 904 . 14 1 1 A 100 100 TRP H H 100 6.369 7.614 -1.245 1
1 905 . 14 1 1 A 100 100 TRP N N 100 116.000 120.565 -4.565 1
1 906 . 14 1 1 A 100 100 TRP CA C 100 53.179 57.610 -4.431 1
1 907 . 14 1 1 A 100 100 TRP CB C 100 28.228 30.382 -2.154 1
1 908 . 14 1 1 A 100 100 TRP C C 100 171.701 176.142 -4.441 1
1 909 . 14 1 1 A 100 100 TRP HA H 100 4.816 4.862 -0.046 1
1 912 . 14 1 1 A 101 101 PHE H H 101 8.026 8.982 -0.956 1
1 913 . 14 1 1 A 101 101 PHE N N 101 124.185 120.142 4.043 1
1 914 . 14 1 1 A 101 101 PHE CA C 101 55.472 56.570 -1.098 1
1 915 . 14 1 1 A 101 101 PHE CB C 101 39.220 42.258 -3.038 1
1 916 . 14 1 1 A 101 101 PHE C C 101 175.044 175.716 -0.672 1
1 917 . 14 1 1 A 101 101 PHE HA H 101 5.373 5.204 0.169 1
1 920 . 14 1 1 A 102 102 VAL H H 102 8.499 8.815 -0.316 1
1 921 . 14 1 1 A 102 102 VAL N N 102 120.282 123.219 -2.937 1
1 922 . 14 1 1 A 102 102 VAL CA C 102 60.975 61.998 -1.023 1
1 923 . 14 1 1 A 102 102 VAL CB C 102 30.243 30.996 -0.753 1
1 924 . 14 1 1 A 102 102 VAL C C 102 174.220 176.162 -1.942 1
1 925 . 14 1 1 A 102 102 VAL HA H 102 3.939 4.362 -0.423 1
1 930 . 14 1 1 A 103 103 GLY H H 103 8.996 8.699 0.297 1
1 931 . 14 1 1 A 103 103 GLY N N 103 114.668 115.229 -0.561 1
1 932 . 14 1 1 A 103 103 GLY CA C 103 43.802 44.154 -0.352 1
1 933 . 14 1 1 A 103 103 GLY C C 103 169.388 172.588 -3.200 1
1 934 . 14 1 1 A 103 103 GLY HA2 H 103 5.275 4.423 0.852 1
1 935 . 14 1 1 A 103 103 GLY HA3 H 103 3.180 4.531 -1.351 1
1 936 . 14 1 1 A 104 104 LEU H H 104 8.118 8.298 -0.180 1
1 937 . 14 1 1 A 104 104 LEU N N 104 119.100 119.365 -0.265 1
1 938 . 14 1 1 A 104 104 LEU CA C 104 51.207 52.314 -1.107 1
1 939 . 14 1 1 A 104 104 LEU CB C 104 43.579 46.272 -2.693 1
1 940 . 14 1 1 A 104 104 LEU C C 104 174.252 174.907 -0.655 1
1 941 . 14 1 1 A 104 104 LEU HA H 104 4.959 5.171 -0.212 1
1 950 . 14 1 1 A 105 105 LYS H H 105 8.847 8.607 0.240 1
1 951 . 14 1 1 A 105 105 LYS N N 105 118.900 120.454 -1.554 1
1 952 . 14 1 1 A 105 105 LYS CA C 105 54.035 55.019 -0.984 1
1 953 . 14 1 1 A 105 105 LYS C C 105 176.404 176.267 0.137 1
1 954 . 14 1 1 A 105 105 LYS HA H 105 4.215 4.630 -0.415 1
1 960 . 14 1 1 A 106 106 LYS H H 106 8.980 8.627 0.353 1
1 961 . 14 1 1 A 106 106 LYS N N 106 122.172 124.775 -2.603 1
1 962 . 14 1 1 A 106 106 LYS CA C 106 57.672 58.701 -1.029 1
1 963 . 14 1 1 A 106 106 LYS CB C 106 29.780 31.859 -2.079 1
1 964 . 14 1 1 A 106 106 LYS C C 106 174.499 178.593 -4.094 1
1 965 . 14 1 1 A 106 106 LYS HA H 106 3.624 4.036 -0.412 1
1 970 . 14 1 1 A 107 107 ASN H H 107 7.352 7.907 -0.555 1
1 971 . 14 1 1 A 107 107 ASN N N 107 112.743 118.431 -5.688 1
1 972 . 14 1 1 A 107 107 ASN CA C 107 49.523 55.205 -5.682 1
1 973 . 14 1 1 A 107 107 ASN CB C 107 35.121 38.224 -3.103 1
1 974 . 14 1 1 A 107 107 ASN C C 107 174.511 177.021 -2.510 1
1 975 . 14 1 1 A 107 107 ASN HA H 107 4.678 4.638 0.040 1
1 978 . 14 1 1 A 108 108 GLY H H 108 7.656 8.083 -0.427 1
1 979 . 14 1 1 A 108 108 GLY N N 108 109.900 107.237 2.663 1
1 980 . 14 1 1 A 108 108 GLY CA C 108 42.207 46.027 -3.820 1
1 981 . 14 1 1 A 108 108 GLY C C 108 169.305 173.667 -4.362 1
1 982 . 14 1 1 A 108 108 GLY HA3 H 108 3.358 4.005 -0.647 1
1 983 . 14 1 1 A 108 108 GLY HA2 H 108 2.111 3.999 -1.888 1
1 984 . 14 1 1 A 109 109 SER H H 109 7.280 7.868 -0.588 1
1 985 . 14 1 1 A 109 109 SER N N 109 112.357 112.471 -0.114 1
1 986 . 14 1 1 A 109 109 SER CA C 109 55.139 57.436 -2.297 1
1 987 . 14 1 1 A 109 109 SER CB C 109 62.749 64.871 -2.122 1
1 988 . 14 1 1 A 109 109 SER C C 109 171.244 172.215 -0.971 1
1 989 . 14 1 1 A 109 109 SER HA H 109 4.755 4.760 -0.005 1
1 992 . 14 1 1 A 110 110 CYS H H 110 9.070 8.373 0.697 1
1 993 . 14 1 1 A 110 110 CYS N N 110 119.883 123.082 -3.199 1
1 994 . 14 1 1 A 110 110 CYS CA C 110 57.858 57.591 0.267 1
1 995 . 14 1 1 A 110 110 CYS CB C 110 37.322 28.038 9.284 1
1 996 . 14 1 1 A 110 110 CYS C C 110 172.131 173.730 -1.599 1
1 997 . 14 1 1 A 110 110 CYS HA H 110 4.296 4.796 -0.500 1
1 1000 . 14 1 1 A 111 111 LYS H H 111 8.095 8.917 -0.822 1
1 1001 . 14 1 1 A 111 111 LYS N N 111 128.642 125.334 3.308 1
1 1002 . 14 1 1 A 111 111 LYS CA C 111 52.117 55.029 -2.912 1
1 1003 . 14 1 1 A 111 111 LYS CB C 111 30.980 34.495 -3.515 1
1 1004 . 14 1 1 A 111 111 LYS C C 111 172.265 175.184 -2.919 1
1 1005 . 14 1 1 A 111 111 LYS HA H 111 4.380 5.279 -0.899 1
1 1010 . 14 1 1 A 112 112 ARG H H 112 8.566 8.591 -0.025 1
1 1011 . 14 1 1 A 112 112 ARG N N 112 124.700 124.224 0.476 1
1 1012 . 14 1 1 A 112 112 ARG CA C 112 54.295 54.479 -0.184 1
1 1013 . 14 1 1 A 112 112 ARG CB C 112 28.927 31.494 -2.567 1
1 1014 . 14 1 1 A 112 112 ARG C C 112 175.240 176.004 -0.764 1
1 1015 . 14 1 1 A 112 112 ARG HA H 112 4.252 4.785 -0.533 1
1 1021 . 14 1 1 A 113 113 GLY H H 113 9.408 8.524 0.884 1
1 1022 . 14 1 1 A 113 113 GLY N N 113 106.636 112.797 -6.161 1
1 1023 . 14 1 1 A 113 113 GLY CA C 113 44.552 47.094 -2.542 1
1 1024 . 14 1 1 A 113 113 GLY C C 113 169.610 174.591 -4.981 1
1 1025 . 14 1 1 A 113 113 GLY HA2 H 113 1.510 3.781 -2.271 1
1 1026 . 14 1 1 A 114 114 PRO CA C 114 62.529 64.597 -2.068 1
1 1027 . 14 1 1 A 114 114 PRO C C 114 174.543 176.858 -2.315 1
1 1028 . 14 1 1 A 114 114 PRO HA H 114 4.321 4.267 0.054 1
1 1033 . 14 1 1 A 115 115 ARG H H 115 8.067 7.930 0.137 1
1 1034 . 14 1 1 A 115 115 ARG N N 115 114.500 116.847 -2.347 1
1 1035 . 14 1 1 A 115 115 ARG CA C 115 52.011 55.596 -3.585 1
1 1036 . 14 1 1 A 115 115 ARG CB C 115 27.143 31.465 -4.322 1
1 1037 . 14 1 1 A 115 115 ARG C C 115 174.680 175.368 -0.688 1
1 1038 . 14 1 1 A 115 115 ARG HA H 115 4.508 4.149 0.359 1
1 1043 . 14 1 1 A 116 116 THR H H 116 7.643 7.103 0.540 1
1 1044 . 14 1 1 A 116 116 THR N N 116 111.716 111.458 0.258 1
1 1045 . 14 1 1 A 116 116 THR CA C 116 58.712 61.653 -2.941 1
1 1046 . 14 1 1 A 116 116 THR CB C 116 70.086 69.523 0.563 1
1 1047 . 14 1 1 A 116 116 THR C C 116 172.573 173.817 -1.244 1
1 1048 . 14 1 1 A 116 116 THR HA H 116 5.198 4.158 1.040 1
1 1053 . 14 1 1 A 117 117 HIS H H 117 7.091 8.005 -0.914 1
1 1054 . 14 1 1 A 117 117 HIS N N 117 112.914 118.943 -6.029 1
1 1055 . 14 1 1 A 117 117 HIS CA C 117 53.291 54.439 -1.148 1
1 1056 . 14 1 1 A 117 117 HIS CB C 117 29.133 31.201 -2.068 1
1 1057 . 14 1 1 A 117 117 HIS C C 117 170.344 171.392 -1.048 1
1 1058 . 14 1 1 A 117 117 HIS HA H 117 4.868 4.064 0.804 1
1 1061 . 14 1 1 A 118 118 TYR H H 118 9.020 8.809 0.211 1
1 1062 . 14 1 1 A 118 118 TYR N N 118 123.051 120.243 2.808 1
1 1063 . 14 1 1 A 118 118 TYR CA C 118 58.801 56.534 2.267 1
1 1064 . 14 1 1 A 118 118 TYR CB C 118 29.959 37.926 -7.967 1
1 1065 . 14 1 1 A 118 118 TYR C C 118 174.446 175.131 -0.685 1
1 1066 . 14 1 1 A 118 118 TYR HA H 118 3.897 4.490 -0.593 1
1 1069 . 14 1 1 A 119 119 GLY H H 119 7.999 8.624 -0.625 1
1 1070 . 14 1 1 A 119 119 GLY N N 119 116.885 113.208 3.677 1
1 1071 . 14 1 1 A 119 119 GLY CA C 119 42.599 45.712 -3.113 1
1 1072 . 14 1 1 A 119 119 GLY C C 119 172.439 173.688 -1.249 1
1 1073 . 14 1 1 A 119 119 GLY HA3 H 119 4.385 3.906 0.479 1
1 1074 . 14 1 1 A 119 119 GLY HA2 H 119 3.296 3.627 -0.331 1
1 1075 . 14 1 1 A 120 120 GLN H H 120 7.003 7.291 -0.288 1
1 1076 . 14 1 1 A 120 120 GLN N N 120 118.266 117.573 0.693 1
1 1077 . 14 1 1 A 120 120 GLN CA C 120 52.617 53.682 -1.065 1
1 1078 . 14 1 1 A 120 120 GLN CB C 120 27.324 32.617 -5.293 1
1 1079 . 14 1 1 A 120 120 GLN C C 120 174.995 175.297 -0.302 1
1 1080 . 14 1 1 A 120 120 GLN HA H 120 4.262 4.559 -0.297 1
1 1083 . 14 1 1 A 121 121 LYS H H 121 8.477 8.374 0.103 1
1 1084 . 14 1 1 A 121 121 LYS N N 121 121.222 123.240 -2.018 1
1 1085 . 14 1 1 A 121 121 LYS CA C 121 56.243 56.671 -0.428 1
1 1086 . 14 1 1 A 121 121 LYS CB C 121 29.598 31.806 -2.208 1
1 1087 . 14 1 1 A 121 121 LYS C C 121 172.702 176.980 -4.278 1
1 1088 . 14 1 1 A 121 121 LYS HA H 121 3.809 4.044 -0.235 1
1 1093 . 14 1 1 A 122 122 ALA H H 122 7.526 7.335 0.191 1
1 1094 . 14 1 1 A 122 122 ALA N N 122 116.019 121.660 -5.641 1
1 1095 . 14 1 1 A 122 122 ALA CA C 122 52.338 52.405 -0.067 1
1 1096 . 14 1 1 A 122 122 ALA CB C 122 18.675 18.744 -0.069 1
1 1097 . 14 1 1 A 122 122 ALA C C 122 172.756 177.301 -4.545 1
1 1098 . 14 1 1 A 122 122 ALA HA H 122 3.947 3.981 -0.034 1
1 1102 . 14 1 1 A 123 123 ILE H H 123 5.794 6.941 -1.147 1
1 1103 . 14 1 1 A 123 123 ILE N N 123 101.200 115.408 -14.208 1
1 1104 . 14 1 1 A 123 123 ILE CA C 123 57.297 60.618 -3.321 1
1 1105 . 14 1 1 A 123 123 ILE CB C 123 35.425 37.566 -2.141 1
1 1106 . 14 1 1 A 123 123 ILE C C 123 172.790 174.669 -1.879 1
1 1107 . 14 1 1 A 123 123 ILE HA H 123 5.184 3.885 1.299 1
1 1116 . 14 1 1 A 124 124 LEU H H 124 6.716 6.887 -0.171 1
1 1117 . 14 1 1 A 124 124 LEU N N 124 121.554 122.789 -1.235 1
1 1118 . 14 1 1 A 124 124 LEU CA C 124 51.686 53.174 -1.488 1
1 1119 . 14 1 1 A 124 124 LEU CB C 124 39.622 41.510 -1.888 1
1 1120 . 14 1 1 A 124 124 LEU C C 124 173.411 174.979 -1.568 1
1 1121 . 14 1 1 A 124 124 LEU HA H 124 4.597 4.372 0.225 1
1 1130 . 14 1 1 A 125 125 PHE H H 125 9.226 9.135 0.091 1
1 1131 . 14 1 1 A 125 125 PHE N N 125 121.900 124.211 -2.311 1
1 1132 . 14 1 1 A 125 125 PHE CA C 125 54.604 57.063 -2.459 1
1 1133 . 14 1 1 A 125 125 PHE CB C 125 41.692 41.353 0.339 1
1 1134 . 14 1 1 A 125 125 PHE C C 125 172.768 174.937 -2.169 1
1 1135 . 14 1 1 A 125 125 PHE HA H 125 5.612 4.989 0.623 1
1 1138 . 14 1 1 A 126 126 LEU H H 126 9.932 9.009 0.923 1
1 1139 . 14 1 1 A 126 126 LEU N N 126 125.427 123.953 1.474 1
1 1140 . 14 1 1 A 126 126 LEU CA C 126 48.875 51.571 -2.696 1
1 1141 . 14 1 1 A 127 127 PRO CA C 127 58.907 62.205 -3.298 1
1 1142 . 14 1 1 A 127 127 PRO CB C 127 28.730 32.075 -3.345 1
1 1143 . 14 1 1 A 127 127 PRO C C 127 174.541 176.090 -1.549 1
1 1144 . 14 1 1 A 127 127 PRO HA H 127 5.587 5.130 0.457 1
1 1147 . 14 1 1 A 128 128 LEU H H 128 9.674 8.340 1.334 1
1 1148 . 14 1 1 A 128 128 LEU N N 128 129.196 124.300 4.896 1
1 1149 . 14 1 1 A 128 128 LEU CA C 128 49.523 51.951 -2.428 1
1 1150 . 14 1 1 A 128 128 LEU C C 128 175.960 175.470 0.490 1
1 1151 . 14 1 1 A 129 129 PRO CA C 129 60.043 62.357 -2.314 1
1 1152 . 14 1 1 A 129 129 PRO CB C 129 29.800 32.513 -2.713 1
1 1153 . 14 1 1 A 129 129 PRO C C 129 174.414 176.646 -2.232 1
1 1154 . 14 1 1 A 129 129 PRO HA H 129 4.710 4.810 -0.100 1
1 1160 . 14 1 1 A 130 130 VAL H H 130 7.992 7.947 0.045 1
1 1161 . 14 1 1 A 130 130 VAL N N 130 118.275 123.020 -4.745 1
1 1162 . 14 1 1 A 130 130 VAL CA C 130 61.494 62.246 -0.752 1
1 1163 . 14 1 1 A 130 130 VAL CB C 130 29.649 32.133 -2.484 1
1 1164 . 14 1 1 A 130 130 VAL C C 130 174.097 176.327 -2.230 1
1 1165 . 14 1 1 A 130 130 VAL HA H 130 3.794 4.111 -0.317 1
1 1173 . 14 1 1 A 131 131 SER H H 131 7.844 8.548 -0.704 1
1 1174 . 14 1 1 A 131 131 SER N N 131 115.853 122.277 -6.424 1
1 1175 . 14 1 1 A 131 131 SER CA C 131 55.233 58.840 -3.607 1
1 1176 . 14 1 1 A 131 131 SER CB C 131 61.375 63.231 -1.856 1
1 1177 . 14 1 1 A 131 131 SER C C 131 173.574 173.995 -0.421 1
1 1178 . 14 1 1 A 131 131 SER HA H 131 4.218 4.599 -0.381 1
1 1181 . 14 1 1 A 132 132 SER H H 132 8.196 9.029 -0.833 1
1 1182 . 14 1 1 A 132 132 SER N N 132 118.100 119.360 -1.260 1
1 1183 . 14 1 1 A 132 132 SER CA C 132 56.021 57.350 -1.329 1
1 1184 . 14 1 1 A 132 132 SER CB C 132 61.848 64.283 -2.435 1
1 1185 . 14 1 1 A 132 132 SER C C 132 170.997 173.194 -2.197 1
1 1186 . 14 1 1 A 132 132 SER HA H 132 4.484 5.150 -0.666 1
1 12 . 15 1 1 A 2 2 LYS H H 2 7.955 8.135 -0.180 1
1 13 . 15 1 1 A 2 2 LYS N N 2 120.000 120.265 -0.265 1
1 14 . 15 1 1 A 2 2 LYS CA C 2 51.913 56.664 -4.751 1
1 15 . 15 1 1 A 2 2 LYS C C 2 174.300 176.083 -1.783 1
1 16 . 15 1 1 A 2 2 LYS HA H 2 4.270 4.261 0.009 1
1 18 . 15 1 1 A 3 3 LYS H H 3 7.960 8.524 -0.564 1
1 19 . 15 1 1 A 3 3 LYS N N 3 119.640 124.076 -4.436 1
1 20 . 15 1 1 A 3 3 LYS CA C 3 51.900 57.682 -5.782 1
1 21 . 15 1 1 A 3 3 LYS HA H 3 4.600 4.468 0.132 1
1 24 . 15 1 1 A 4 4 PRO CA C 4 60.687 62.212 -1.525 1
1 25 . 15 1 1 A 4 4 PRO C C 4 172.359 176.286 -3.927 1
1 26 . 15 1 1 A 4 4 PRO CB C 4 30.627 32.540 -1.913 1
1 27 . 15 1 1 A 4 4 PRO HA H 4 4.716 4.668 0.048 1
1 29 . 15 1 1 A 5 5 LYS H H 5 9.357 9.312 0.045 1
1 30 . 15 1 1 A 5 5 LYS N N 5 119.100 121.313 -2.213 1
1 31 . 15 1 1 A 5 5 LYS CA C 5 51.445 55.004 -3.559 1
1 32 . 15 1 1 A 5 5 LYS CB C 5 34.945 34.815 0.130 1
1 33 . 15 1 1 A 5 5 LYS C C 5 171.776 175.181 -3.405 1
1 34 . 15 1 1 A 5 5 LYS HA H 5 5.062 4.833 0.229 1
1 37 . 15 1 1 A 6 6 LEU H H 6 8.944 9.011 -0.067 1
1 38 . 15 1 1 A 6 6 LEU N N 6 117.400 124.293 -6.893 1
1 39 . 15 1 1 A 6 6 LEU CA C 6 50.259 53.330 -3.071 1
1 40 . 15 1 1 A 6 6 LEU CB C 6 41.472 45.497 -4.025 1
1 41 . 15 1 1 A 6 6 LEU C C 6 174.676 174.909 -0.233 1
1 42 . 15 1 1 A 6 6 LEU HA H 6 4.984 5.199 -0.215 1
1 51 . 15 1 1 A 7 7 LEU H H 7 10.297 8.865 1.432 1
1 52 . 15 1 1 A 7 7 LEU N N 7 125.000 127.366 -2.366 1
1 53 . 15 1 1 A 7 7 LEU CA C 7 53.596 53.593 0.003 1
1 54 . 15 1 1 A 7 7 LEU C C 7 172.290 175.081 -2.791 1
1 55 . 15 1 1 A 7 7 LEU HA H 7 5.083 5.078 0.005 1
1 65 . 15 1 1 A 8 8 TYR H H 8 8.483 8.796 -0.313 1
1 66 . 15 1 1 A 8 8 TYR N N 8 125.000 128.504 -3.504 1
1 67 . 15 1 1 A 8 8 TYR CA C 8 54.761 55.771 -1.010 1
1 68 . 15 1 1 A 8 8 TYR CB C 8 37.988 40.307 -2.319 1
1 69 . 15 1 1 A 8 8 TYR C C 8 171.270 173.691 -2.421 1
1 70 . 15 1 1 A 8 8 TYR HA H 8 4.592 5.367 -0.775 1
1 73 . 15 1 1 A 9 9 CYS H H 9 9.235 9.097 0.138 1
1 74 . 15 1 1 A 9 9 CYS N N 9 130.104 128.413 1.691 1
1 75 . 15 1 1 A 9 9 CYS CA C 9 55.588 56.950 -1.362 1
1 76 . 15 1 1 A 9 9 CYS CB C 9 26.864 28.506 -1.642 1
1 77 . 15 1 1 A 9 9 CYS C C 9 172.619 173.117 -0.498 1
1 78 . 15 1 1 A 9 9 CYS HA H 9 4.163 5.020 -0.857 1
1 82 . 15 1 1 A 10 10 SER H H 10 8.173 8.875 -0.702 1
1 83 . 15 1 1 A 10 10 SER N N 10 122.600 123.413 -0.813 1
1 84 . 15 1 1 A 10 10 SER CA C 10 57.853 57.160 0.693 1
1 85 . 15 1 1 A 10 10 SER CB C 10 61.820 64.401 -2.581 1
1 86 . 15 1 1 A 10 10 SER C C 10 172.210 173.430 -1.220 1
1 87 . 15 1 1 A 10 10 SER HA H 10 3.920 4.754 -0.834 1
1 89 . 15 1 1 A 11 11 ASN H H 11 7.450 8.558 -1.108 1
1 90 . 15 1 1 A 11 11 ASN N N 11 119.550 124.344 -4.794 1
1 91 . 15 1 1 A 11 11 ASN CA C 11 52.430 51.716 0.714 1
1 92 . 15 1 1 A 11 11 ASN HA H 11 4.360 4.784 -0.424 1
1 94 . 15 1 1 A 12 12 GLY C C 12 171.806 175.212 -3.406 1
1 95 . 15 1 1 A 12 12 GLY CA C 12 41.915 47.087 -5.172 1
1 96 . 15 1 1 A 12 12 GLY HA3 H 12 3.927 3.737 0.190 1
1 97 . 15 1 1 A 12 12 GLY H H 12 7.096 8.617 -1.521 1
1 98 . 15 1 1 A 12 12 GLY N N 12 109.300 106.890 2.410 1
1 99 . 15 1 1 A 13 13 GLY H H 13 7.096 8.527 -1.431 1
1 100 . 15 1 1 A 13 13 GLY N N 13 109.300 113.572 -4.272 1
1 101 . 15 1 1 A 13 13 GLY CA C 13 44.272 46.194 -1.922 1
1 102 . 15 1 1 A 13 13 GLY C C 13 170.445 174.052 -3.607 1
1 103 . 15 1 1 A 13 13 GLY HA2 H 13 3.598 3.986 -0.388 1
1 104 . 15 1 1 A 13 13 GLY HA3 H 13 3.204 4.161 -0.957 1
1 105 . 15 1 1 A 14 14 HIS H H 14 6.302 7.724 -1.422 1
1 106 . 15 1 1 A 14 14 HIS N N 14 113.600 118.146 -4.546 1
1 107 . 15 1 1 A 14 14 HIS CA C 14 54.319 54.215 0.104 1
1 108 . 15 1 1 A 14 14 HIS CB C 14 31.792 34.087 -2.295 1
1 109 . 15 1 1 A 14 14 HIS C C 14 171.281 173.359 -2.078 1
1 110 . 15 1 1 A 14 14 HIS HA H 14 4.104 4.795 -0.691 1
1 113 . 15 1 1 A 15 15 PHE H H 15 9.298 8.737 0.561 1
1 114 . 15 1 1 A 15 15 PHE N N 15 120.700 117.895 2.805 1
1 115 . 15 1 1 A 15 15 PHE CA C 15 54.273 56.323 -2.050 1
1 116 . 15 1 1 A 15 15 PHE CB C 15 37.632 42.778 -5.146 1
1 117 . 15 1 1 A 15 15 PHE C C 15 173.938 174.442 -0.504 1
1 118 . 15 1 1 A 15 15 PHE HA H 15 5.390 5.108 0.282 1
1 121 . 15 1 1 A 16 16 LEU H H 16 8.480 8.534 -0.054 1
1 122 . 15 1 1 A 16 16 LEU N N 16 124.700 125.066 -0.366 1
1 123 . 15 1 1 A 16 16 LEU CA C 16 54.440 54.784 -0.344 1
1 124 . 15 1 1 A 16 16 LEU C C 16 171.758 175.419 -3.661 1
1 125 . 15 1 1 A 16 16 LEU CB C 16 41.301 43.379 -2.078 1
1 126 . 15 1 1 A 16 16 LEU HA H 16 4.394 5.397 -1.003 1
1 129 . 15 1 1 A 17 17 ARG H H 17 9.339 9.455 -0.116 1
1 130 . 15 1 1 A 17 17 ARG N N 17 126.971 128.037 -1.066 1
1 131 . 15 1 1 A 17 17 ARG CA C 17 53.301 54.202 -0.901 1
1 132 . 15 1 1 A 17 17 ARG CB C 17 32.620 34.254 -1.634 1
1 133 . 15 1 1 A 17 17 ARG C C 17 171.302 175.491 -4.189 1
1 134 . 15 1 1 A 17 17 ARG HA H 17 4.715 5.109 -0.394 1
1 141 . 15 1 1 A 18 18 ILE H H 18 6.989 8.616 -1.627 1
1 142 . 15 1 1 A 18 18 ILE N N 18 120.966 120.180 0.786 1
1 143 . 15 1 1 A 18 18 ILE CA C 18 57.903 59.531 -1.628 1
1 144 . 15 1 1 A 18 18 ILE C C 18 173.747 174.841 -1.094 1
1 145 . 15 1 1 A 18 18 ILE HA H 18 4.563 5.192 -0.629 1
1 150 . 15 1 1 A 19 19 LEU H H 19 8.940 8.314 0.626 1
1 151 . 15 1 1 A 19 19 LEU N N 19 128.097 124.743 3.354 1
1 152 . 15 1 1 A 19 19 LEU CA C 19 51.419 51.752 -0.333 1
1 153 . 15 1 1 A 20 20 PRO CA C 20 62.710 64.016 -1.306 1
1 154 . 15 1 1 A 20 20 PRO CB C 20 29.518 32.176 -2.658 1
1 155 . 15 1 1 A 20 20 PRO C C 20 173.966 177.123 -3.157 1
1 156 . 15 1 1 A 20 20 PRO HA H 20 4.319 4.600 -0.281 1
1 161 . 15 1 1 A 21 21 ASP H H 21 7.415 8.051 -0.636 1
1 162 . 15 1 1 A 21 21 ASP N N 21 114.000 117.785 -3.785 1
1 163 . 15 1 1 A 21 21 ASP CA C 21 51.361 53.944 -2.583 1
1 164 . 15 1 1 A 21 21 ASP CB C 21 37.419 41.294 -3.875 1
1 165 . 15 1 1 A 21 21 ASP C C 21 174.570 176.562 -1.992 1
1 166 . 15 1 1 A 21 21 ASP HA H 21 4.513 4.689 -0.176 1
1 169 . 15 1 1 A 22 22 GLY H H 22 8.404 8.200 0.204 1
1 170 . 15 1 1 A 22 22 GLY N N 22 109.100 107.125 1.975 1
1 171 . 15 1 1 A 22 22 GLY CA C 22 43.166 45.977 -2.811 1
1 172 . 15 1 1 A 22 22 GLY C C 22 172.565 174.318 -1.753 1
1 173 . 15 1 1 A 22 22 GLY HA3 H 22 4.632 4.050 0.582 1
1 174 . 15 1 1 A 22 22 GLY HA2 H 22 3.838 4.046 -0.208 1
1 175 . 15 1 1 A 23 23 THR H H 23 7.894 7.352 0.542 1
1 176 . 15 1 1 A 23 23 THR N N 23 116.800 115.116 1.684 1
1 177 . 15 1 1 A 23 23 THR CA C 23 61.304 61.420 -0.116 1
1 178 . 15 1 1 A 23 23 THR CB C 23 67.455 71.197 -3.742 1
1 179 . 15 1 1 A 23 23 THR C C 23 170.170 173.246 -3.076 1
1 180 . 15 1 1 A 23 23 THR HA H 23 4.489 4.828 -0.339 1
1 185 . 15 1 1 A 24 24 VAL H H 24 7.792 8.863 -1.071 1
1 186 . 15 1 1 A 24 24 VAL N N 24 123.100 123.805 -0.705 1
1 187 . 15 1 1 A 24 24 VAL CA C 24 58.203 60.157 -1.954 1
1 188 . 15 1 1 A 24 24 VAL CB C 24 31.847 34.335 -2.488 1
1 189 . 15 1 1 A 24 24 VAL C C 24 171.629 174.225 -2.596 1
1 190 . 15 1 1 A 24 24 VAL HA H 24 5.084 5.304 -0.220 1
1 195 . 15 1 1 A 25 25 ASP H H 25 8.906 8.706 0.200 1
1 196 . 15 1 1 A 25 25 ASP N N 25 131.200 125.897 5.303 1
1 197 . 15 1 1 A 25 25 ASP CA C 25 50.847 52.268 -1.421 1
1 198 . 15 1 1 A 25 25 ASP CB C 25 38.730 44.876 -6.146 1
1 199 . 15 1 1 A 25 25 ASP C C 25 170.281 175.248 -4.967 1
1 200 . 15 1 1 A 25 25 ASP HA H 25 4.313 5.413 -1.100 1
1 203 . 15 1 1 A 26 26 GLY H H 26 7.891 8.728 -0.837 1
1 204 . 15 1 1 A 26 26 GLY N N 26 102.500 106.855 -4.355 1
1 205 . 15 1 1 A 26 26 GLY CA C 26 42.057 44.859 -2.802 1
1 206 . 15 1 1 A 26 26 GLY C C 26 169.975 173.050 -3.075 1
1 207 . 15 1 1 A 26 26 GLY HA3 H 26 5.529 4.204 1.325 1
1 208 . 15 1 1 A 26 26 GLY HA2 H 26 3.015 4.153 -1.138 1
1 209 . 15 1 1 A 27 27 THR H H 27 8.529 9.432 -0.903 1
1 210 . 15 1 1 A 27 27 THR N N 27 112.700 118.603 -5.903 1
1 211 . 15 1 1 A 27 27 THR CA C 27 56.740 61.304 -4.564 1
1 212 . 15 1 1 A 27 27 THR CB C 27 67.326 72.632 -5.306 1
1 213 . 15 1 1 A 27 27 THR C C 27 170.554 172.620 -2.066 1
1 214 . 15 1 1 A 27 27 THR HA H 27 5.189 5.045 0.144 1
1 219 . 15 1 1 A 28 28 ARG H H 28 8.993 8.707 0.286 1
1 220 . 15 1 1 A 28 28 ARG N N 28 127.500 127.061 0.439 1
1 221 . 15 1 1 A 28 28 ARG CA C 28 54.938 55.710 -0.772 1
1 222 . 15 1 1 A 28 28 ARG CB C 28 37.260 31.070 6.190 1
1 223 . 15 1 1 A 28 28 ARG C C 28 173.450 174.818 -1.368 1
1 224 . 15 1 1 A 28 28 ARG HA H 28 4.691 4.727 -0.036 1
1 227 . 15 1 1 A 29 29 ASP H H 29 8.323 8.785 -0.462 1
1 228 . 15 1 1 A 29 29 ASP N N 29 121.000 127.304 -6.304 1
1 229 . 15 1 1 A 29 29 ASP CA C 29 50.779 53.339 -2.560 1
1 230 . 15 1 1 A 29 29 ASP C C 29 172.275 175.191 -2.916 1
1 231 . 15 1 1 A 29 29 ASP HA H 29 4.661 5.368 -0.707 1
1 234 . 15 1 1 A 30 30 ARG H H 30 8.342 8.586 -0.244 1
1 235 . 15 1 1 A 30 30 ARG N N 30 126.100 120.642 5.458 1
1 236 . 15 1 1 A 30 30 ARG CA C 30 54.924 55.309 -0.385 1
1 237 . 15 1 1 A 30 30 ARG CB C 30 28.367 30.620 -2.253 1
1 238 . 15 1 1 A 30 30 ARG C C 30 173.454 176.589 -3.135 1
1 239 . 15 1 1 A 30 30 ARG HA H 30 3.592 4.551 -0.959 1
1 243 . 15 1 1 A 31 31 SER H H 31 8.379 8.057 0.322 1
1 244 . 15 1 1 A 31 31 SER N N 31 113.600 112.436 1.164 1
1 245 . 15 1 1 A 31 31 SER CA C 31 55.918 58.016 -2.098 1
1 246 . 15 1 1 A 31 31 SER CB C 31 61.807 63.827 -2.020 1
1 247 . 15 1 1 A 31 31 SER C C 31 171.758 173.113 -1.355 1
1 248 . 15 1 1 A 31 31 SER HA H 31 4.397 4.519 -0.122 1
1 251 . 15 1 1 A 32 32 ASP H H 32 7.105 7.681 -0.576 1
1 252 . 15 1 1 A 32 32 ASP N N 32 125.000 122.099 2.901 1
1 253 . 15 1 1 A 32 32 ASP CA C 32 53.116 52.084 1.032 1
1 254 . 15 1 1 A 32 32 ASP CB C 32 41.585 43.780 -2.195 1
1 255 . 15 1 1 A 32 32 ASP C C 32 174.497 174.989 -0.492 1
1 256 . 15 1 1 A 32 32 ASP HA H 32 4.276 5.024 -0.748 1
1 259 . 15 1 1 A 33 33 GLN H H 33 8.775 8.607 0.168 1
1 260 . 15 1 1 A 33 33 GLN N N 33 124.700 121.046 3.654 1
1 261 . 15 1 1 A 33 33 GLN CA C 33 55.127 54.925 0.202 1
1 262 . 15 1 1 A 33 33 GLN CB C 33 26.601 28.268 -1.667 1
1 263 . 15 1 1 A 33 33 GLN C C 33 174.900 175.766 -0.866 1
1 264 . 15 1 1 A 33 33 GLN HA H 33 4.061 4.716 -0.655 1
1 271 . 15 1 1 A 34 34 HIS H H 34 9.681 8.141 1.540 1
1 272 . 15 1 1 A 34 34 HIS N N 34 116.700 118.023 -1.323 1
1 273 . 15 1 1 A 34 34 HIS CA C 34 55.739 56.211 -0.472 1
1 274 . 15 1 1 A 34 34 HIS CB C 34 26.065 31.700 -5.635 1
1 275 . 15 1 1 A 34 34 HIS C C 34 172.307 175.738 -3.431 1
1 276 . 15 1 1 A 34 34 HIS HA H 34 4.885 5.630 -0.745 1
1 279 . 15 1 1 A 35 35 ILE H H 35 6.711 7.597 -0.886 1
1 280 . 15 1 1 A 35 35 ILE N N 35 108.600 110.529 -1.929 1
1 281 . 15 1 1 A 35 35 ILE CA C 35 58.395 60.815 -2.420 1
1 282 . 15 1 1 A 35 35 ILE CB C 35 35.989 37.409 -1.420 1
1 283 . 15 1 1 A 35 35 ILE C C 35 172.249 175.886 -3.637 1
1 284 . 15 1 1 A 35 35 ILE HA H 35 5.114 4.336 0.778 1
1 293 . 15 1 1 A 36 36 GLN H H 36 7.148 7.800 -0.652 1
1 294 . 15 1 1 A 36 36 GLN N N 36 120.018 120.801 -0.783 1
1 295 . 15 1 1 A 36 36 GLN CA C 36 55.111 54.951 0.160 1
1 296 . 15 1 1 A 36 36 GLN CB C 36 25.190 29.936 -4.746 1
1 297 . 15 1 1 A 36 36 GLN C C 36 172.952 174.968 -2.016 1
1 298 . 15 1 1 A 36 36 GLN HA H 36 4.261 4.791 -0.530 1
1 305 . 15 1 1 A 37 37 LEU H H 37 9.110 8.738 0.372 1
1 306 . 15 1 1 A 37 37 LEU N N 37 127.600 123.162 4.438 1
1 307 . 15 1 1 A 37 37 LEU CA C 37 51.329 52.839 -1.510 1
1 308 . 15 1 1 A 37 37 LEU CB C 37 42.165 44.179 -2.014 1
1 309 . 15 1 1 A 37 37 LEU C C 37 172.877 174.727 -1.850 1
1 310 . 15 1 1 A 37 37 LEU HA H 37 5.315 5.098 0.217 1
1 319 . 15 1 1 A 38 38 GLN H H 38 9.556 9.281 0.275 1
1 320 . 15 1 1 A 38 38 GLN N N 38 120.583 121.278 -0.695 1
1 321 . 15 1 1 A 38 38 GLN CA C 38 51.810 54.903 -3.093 1
1 322 . 15 1 1 A 38 38 GLN CB C 38 29.259 29.769 -0.510 1
1 323 . 15 1 1 A 38 38 GLN C C 38 172.676 174.427 -1.751 1
1 324 . 15 1 1 A 38 38 GLN HA H 38 4.623 4.540 0.083 1
1 328 . 15 1 1 A 39 39 LEU H H 39 8.926 9.030 -0.104 1
1 329 . 15 1 1 A 39 39 LEU N N 39 131.700 130.430 1.270 1
1 330 . 15 1 1 A 39 39 LEU CA C 39 53.062 53.755 -0.693 1
1 331 . 15 1 1 A 39 39 LEU C C 39 174.601 174.503 0.098 1
1 332 . 15 1 1 A 39 39 LEU HA H 39 5.506 5.071 0.435 1
1 341 . 15 1 1 A 40 40 SER H H 40 8.569 8.629 -0.060 1
1 342 . 15 1 1 A 40 40 SER N N 40 115.900 122.462 -6.562 1
1 343 . 15 1 1 A 40 40 SER CA C 40 54.925 56.148 -1.223 1
1 344 . 15 1 1 A 40 40 SER CB C 40 46.694 66.120 -19.426 1
1 345 . 15 1 1 A 40 40 SER C C 40 170.046 173.198 -3.152 1
1 346 . 15 1 1 A 40 40 SER HA H 40 4.676 5.228 -0.552 1
1 349 . 15 1 1 A 41 41 ALA H H 41 8.357 8.722 -0.365 1
1 350 . 15 1 1 A 41 41 ALA N N 41 125.900 125.840 0.060 1
1 351 . 15 1 1 A 41 41 ALA CA C 41 49.309 50.709 -1.400 1
1 352 . 15 1 1 A 41 41 ALA CB C 41 27.376 19.847 7.529 1
1 353 . 15 1 1 A 41 41 ALA C C 41 175.352 177.594 -2.242 1
1 354 . 15 1 1 A 41 41 ALA HA H 41 5.016 5.061 -0.045 1
1 358 . 15 1 1 A 42 42 GLU H H 42 8.485 8.750 -0.265 1
1 359 . 15 1 1 A 42 42 GLU N N 42 125.400 120.851 4.549 1
1 360 . 15 1 1 A 42 42 GLU CA C 42 54.611 55.914 -1.303 1
1 361 . 15 1 1 A 42 42 GLU CB C 42 28.181 30.745 -2.564 1
1 362 . 15 1 1 A 42 42 GLU C C 42 174.014 175.830 -1.816 1
1 363 . 15 1 1 A 42 42 GLU HA H 42 4.444 4.585 -0.141 1
1 368 . 15 1 1 A 43 43 SER H H 43 8.020 7.767 0.253 1
1 369 . 15 1 1 A 43 43 SER N N 43 113.900 115.930 -2.030 1
1 370 . 15 1 1 A 43 43 SER CA C 43 55.014 57.240 -2.226 1
1 371 . 15 1 1 A 43 43 SER CB C 43 61.687 65.817 -4.130 1
1 372 . 15 1 1 A 43 43 SER C C 43 171.119 173.072 -1.953 1
1 373 . 15 1 1 A 43 43 SER HA H 43 4.516 4.769 -0.253 1
1 376 . 15 1 1 A 44 44 VAL H H 44 8.113 8.446 -0.333 1
1 377 . 15 1 1 A 44 44 VAL N N 44 121.100 123.094 -1.994 1
1 378 . 15 1 1 A 44 44 VAL CA C 44 62.838 63.816 -0.978 1
1 379 . 15 1 1 A 44 44 VAL CB C 44 28.991 31.303 -2.312 1
1 380 . 15 1 1 A 44 44 VAL C C 44 175.533 176.799 -1.266 1
1 381 . 15 1 1 A 44 44 VAL HA H 44 3.868 3.861 0.007 1
1 389 . 15 1 1 A 45 45 GLY H H 45 8.807 8.734 0.073 1
1 390 . 15 1 1 A 45 45 GLY N N 45 115.545 116.198 -0.653 1
1 391 . 15 1 1 A 45 45 GLY CA C 45 43.553 45.065 -1.512 1
1 392 . 15 1 1 A 45 45 GLY C C 45 170.948 173.898 -2.950 1
1 393 . 15 1 1 A 45 45 GLY HA3 H 45 4.296 3.995 0.301 1
1 394 . 15 1 1 A 45 45 GLY HA2 H 45 3.995 3.995 0.000 1
1 395 . 15 1 1 A 46 46 GLU H H 46 7.985 7.918 0.067 1
1 396 . 15 1 1 A 46 46 GLU N N 46 121.200 118.266 2.934 1
1 397 . 15 1 1 A 46 46 GLU CA C 46 52.751 55.472 -2.721 1
1 398 . 15 1 1 A 46 46 GLU CB C 46 29.432 31.782 -2.350 1
1 399 . 15 1 1 A 46 46 GLU C C 46 173.583 175.763 -2.180 1
1 400 . 15 1 1 A 46 46 GLU HA H 46 5.442 4.893 0.549 1
1 405 . 15 1 1 A 47 47 VAL H H 47 9.560 9.272 0.288 1
1 406 . 15 1 1 A 47 47 VAL N N 47 116.400 118.038 -1.638 1
1 407 . 15 1 1 A 47 47 VAL CA C 47 56.846 59.933 -3.087 1
1 408 . 15 1 1 A 47 47 VAL CB C 47 33.714 34.596 -0.882 1
1 409 . 15 1 1 A 47 47 VAL C C 47 172.960 173.804 -0.844 1
1 410 . 15 1 1 A 47 47 VAL HA H 47 5.505 5.347 0.158 1
1 418 . 15 1 1 A 48 48 TYR H H 48 8.415 9.237 -0.822 1
1 419 . 15 1 1 A 48 48 TYR N N 48 117.400 125.653 -8.253 1
1 420 . 15 1 1 A 48 48 TYR CA C 48 54.331 55.833 -1.502 1
1 421 . 15 1 1 A 48 48 TYR CB C 48 39.296 41.732 -2.436 1
1 422 . 15 1 1 A 48 48 TYR C C 48 173.423 173.661 -0.238 1
1 423 . 15 1 1 A 48 48 TYR HA H 48 5.290 5.299 -0.009 1
1 426 . 15 1 1 A 49 49 ILE H H 49 10.532 8.575 1.957 1
1 427 . 15 1 1 A 49 49 ILE N N 49 123.100 128.256 -5.156 1
1 428 . 15 1 1 A 49 49 ILE CA C 49 59.573 59.819 -0.246 1
1 429 . 15 1 1 A 49 49 ILE CB C 49 40.504 38.639 1.865 1
1 430 . 15 1 1 A 49 49 ILE C C 49 170.853 175.267 -4.414 1
1 431 . 15 1 1 A 49 49 ILE HA H 49 4.341 4.533 -0.192 1
1 438 . 15 1 1 A 50 50 LYS H H 50 8.511 8.837 -0.326 1
1 439 . 15 1 1 A 50 50 LYS N N 50 125.800 127.144 -1.344 1
1 440 . 15 1 1 A 50 50 LYS CA C 50 51.179 54.185 -3.006 1
1 441 . 15 1 1 A 50 50 LYS CB C 50 34.816 35.384 -0.568 1
1 442 . 15 1 1 A 50 50 LYS C C 50 173.759 175.690 -1.931 1
1 443 . 15 1 1 A 50 50 LYS HA H 50 4.991 4.625 0.366 1
1 451 . 15 1 1 A 51 51 SER H H 51 8.920 8.705 0.215 1
1 452 . 15 1 1 A 51 51 SER N N 51 117.579 119.680 -2.101 1
1 453 . 15 1 1 A 51 51 SER CA C 51 55.043 59.094 -4.051 1
1 454 . 15 1 1 A 51 51 SER CB C 51 61.065 63.318 -2.253 1
1 455 . 15 1 1 A 51 51 SER C C 51 175.084 174.084 1.000 1
1 456 . 15 1 1 A 51 51 SER HA H 51 4.666 4.389 0.277 1
1 459 . 15 1 1 A 52 52 THR H H 52 8.342 8.227 0.115 1
1 460 . 15 1 1 A 52 52 THR N N 52 123.200 119.496 3.704 1
1 461 . 15 1 1 A 52 52 THR CA C 52 62.792 64.730 -1.938 1
1 462 . 15 1 1 A 52 52 THR CB C 52 65.611 68.947 -3.336 1
1 463 . 15 1 1 A 52 52 THR C C 52 173.566 175.672 -2.106 1
1 464 . 15 1 1 A 52 52 THR HA H 52 3.996 3.979 0.017 1
1 469 . 15 1 1 A 53 53 GLU H H 53 8.312 8.197 0.115 1
1 470 . 15 1 1 A 53 53 GLU N N 53 122.000 120.692 1.308 1
1 471 . 15 1 1 A 53 53 GLU CA C 53 55.889 58.035 -2.146 1
1 472 . 15 1 1 A 53 53 GLU CB C 53 28.359 30.696 -2.337 1
1 473 . 15 1 1 A 53 53 GLU C C 53 175.327 178.125 -2.798 1
1 474 . 15 1 1 A 53 53 GLU HA H 53 4.311 4.392 -0.081 1
1 477 . 15 1 1 A 54 54 THR H H 54 7.724 7.652 0.072 1
1 478 . 15 1 1 A 54 54 THR N N 54 103.100 108.625 -5.525 1
1 479 . 15 1 1 A 54 54 THR CA C 54 58.555 61.244 -2.689 1
1 480 . 15 1 1 A 54 54 THR CB C 54 69.030 69.019 0.011 1
1 481 . 15 1 1 A 54 54 THR C C 54 173.942 175.616 -1.674 1
1 482 . 15 1 1 A 54 54 THR HA H 54 4.681 4.658 0.023 1
1 487 . 15 1 1 A 55 55 GLY H H 55 7.643 8.102 -0.459 1
1 488 . 15 1 1 A 55 55 GLY N N 55 110.700 110.872 -0.172 1
1 489 . 15 1 1 A 55 55 GLY CA C 55 43.594 45.749 -2.155 1
1 490 . 15 1 1 A 55 55 GLY HA3 H 55 4.150 3.912 0.238 1
1 491 . 15 1 1 A 55 55 GLY HA2 H 55 3.591 3.862 -0.271 1
1 492 . 15 1 1 A 55 55 GLY C C 55 170.694 174.182 -3.488 1
1 493 . 15 1 1 A 56 56 GLN H H 56 7.211 7.630 -0.419 1
1 494 . 15 1 1 A 56 56 GLN N N 56 115.700 117.186 -1.486 1
1 495 . 15 1 1 A 56 56 GLN CA C 56 53.898 55.617 -1.719 1
1 496 . 15 1 1 A 56 56 GLN CB C 56 30.456 32.204 -1.748 1
1 497 . 15 1 1 A 56 56 GLN C C 56 172.141 172.792 -0.651 1
1 498 . 15 1 1 A 56 56 GLN HA H 56 4.311 4.546 -0.235 1
1 504 . 15 1 1 A 57 57 TYR H H 57 9.254 8.961 0.293 1
1 505 . 15 1 1 A 57 57 TYR N N 57 119.400 126.425 -7.025 1
1 506 . 15 1 1 A 57 57 TYR CA C 57 53.356 56.629 -3.273 1
1 507 . 15 1 1 A 57 57 TYR CB C 57 40.466 37.596 2.870 1
1 508 . 15 1 1 A 57 57 TYR C C 57 173.320 174.725 -1.405 1
1 509 . 15 1 1 A 57 57 TYR HA H 57 4.128 4.917 -0.789 1
1 512 . 15 1 1 A 58 58 LEU H H 58 9.126 8.773 0.353 1
1 513 . 15 1 1 A 58 58 LEU N N 58 123.600 127.556 -3.956 1
1 514 . 15 1 1 A 58 58 LEU CA C 58 53.256 55.516 -2.260 1
1 515 . 15 1 1 A 58 58 LEU CB C 58 40.466 43.002 -2.536 1
1 516 . 15 1 1 A 58 58 LEU C C 58 172.320 175.212 -2.892 1
1 517 . 15 1 1 A 58 58 LEU HA H 58 4.128 4.494 -0.366 1
1 524 . 15 1 1 A 59 59 ALA H H 59 8.656 8.656 0.000 1
1 525 . 15 1 1 A 59 59 ALA N N 59 126.947 128.146 -1.199 1
1 526 . 15 1 1 A 59 59 ALA CA C 59 48.450 50.459 -2.009 1
1 527 . 15 1 1 A 59 59 ALA CB C 59 21.261 21.860 -0.599 1
1 528 . 15 1 1 A 59 59 ALA C C 59 172.722 175.532 -2.810 1
1 529 . 15 1 1 A 59 59 ALA HA H 59 5.124 5.059 0.065 1
1 533 . 15 1 1 A 60 60 MET H H 60 7.521 8.534 -1.013 1
1 534 . 15 1 1 A 60 60 MET N N 60 116.602 122.294 -5.692 1
1 535 . 15 1 1 A 60 60 MET CA C 60 52.251 54.454 -2.203 1
1 536 . 15 1 1 A 60 60 MET CB C 60 35.046 32.685 2.361 1
1 537 . 15 1 1 A 60 60 MET C C 60 173.753 175.505 -1.752 1
1 538 . 15 1 1 A 60 60 MET HA H 60 5.527 4.852 0.675 1
1 543 . 15 1 1 A 61 61 ASP H H 61 9.159 8.684 0.475 1
1 544 . 15 1 1 A 61 61 ASP N N 61 128.445 123.659 4.786 1
1 545 . 15 1 1 A 61 61 ASP CA C 61 51.480 52.592 -1.112 1
1 546 . 15 1 1 A 61 61 ASP CB C 61 39.346 42.204 -2.858 1
1 547 . 15 1 1 A 61 61 ASP C C 61 175.800 175.875 -0.075 1
1 548 . 15 1 1 A 61 61 ASP HA H 61 5.046 5.163 -0.117 1
1 551 . 15 1 1 A 62 62 THR H H 62 7.972 9.124 -1.152 1
1 552 . 15 1 1 A 62 62 THR N N 62 107.806 119.322 -11.516 1
1 553 . 15 1 1 A 62 62 THR CA C 62 62.626 65.855 -3.229 1
1 554 . 15 1 1 A 62 62 THR CB C 62 66.955 67.410 -0.455 1
1 555 . 15 1 1 A 62 62 THR C C 62 172.355 173.575 -1.220 1
1 556 . 15 1 1 A 62 62 THR HA H 62 4.134 4.111 0.023 1
1 561 . 15 1 1 A 63 63 ASP H H 63 8.333 8.510 -0.177 1
1 562 . 15 1 1 A 63 63 ASP N N 63 119.831 118.954 0.877 1
1 563 . 15 1 1 A 63 63 ASP CA C 63 51.865 53.741 -1.876 1
1 564 . 15 1 1 A 63 63 ASP CB C 63 39.182 42.514 -3.332 1
1 565 . 15 1 1 A 63 63 ASP C C 63 174.438 177.612 -3.174 1
1 566 . 15 1 1 A 63 63 ASP HA H 63 4.964 5.054 -0.090 1
1 569 . 15 1 1 A 64 64 GLY H H 64 8.264 8.120 0.144 1
1 570 . 15 1 1 A 64 64 GLY N N 64 109.142 108.376 0.766 1
1 571 . 15 1 1 A 64 64 GLY CA C 64 42.923 45.626 -2.703 1
1 572 . 15 1 1 A 64 64 GLY C C 64 171.248 174.230 -2.982 1
1 573 . 15 1 1 A 64 64 GLY HA3 H 64 3.652 4.059 -0.407 1
1 574 . 15 1 1 A 64 64 GLY HA2 H 64 3.397 3.950 -0.553 1
1 575 . 15 1 1 A 65 65 LEU H H 65 8.636 7.725 0.911 1
1 576 . 15 1 1 A 65 65 LEU N N 65 123.137 120.130 3.007 1
1 577 . 15 1 1 A 65 65 LEU CA C 65 52.224 54.594 -2.370 1
1 578 . 15 1 1 A 65 65 LEU CB C 65 40.557 45.606 -5.049 1
1 579 . 15 1 1 A 65 65 LEU C C 65 174.507 174.635 -0.128 1
1 580 . 15 1 1 A 65 65 LEU HA H 65 4.529 4.805 -0.276 1
1 590 . 15 1 1 A 66 66 LEU H H 66 7.431 8.921 -1.490 1
1 591 . 15 1 1 A 66 66 LEU N N 66 124.493 122.878 1.615 1
1 592 . 15 1 1 A 66 66 LEU CA C 66 51.635 53.220 -1.585 1
1 593 . 15 1 1 A 66 66 LEU CB C 66 40.474 45.049 -4.575 1
1 594 . 15 1 1 A 66 66 LEU C C 66 174.070 175.744 -1.674 1
1 595 . 15 1 1 A 66 66 LEU HA H 66 5.714 5.449 0.265 1
1 605 . 15 1 1 A 67 67 TYR H H 67 9.237 8.546 0.691 1
1 606 . 15 1 1 A 67 67 TYR N N 67 120.360 117.683 2.677 1
1 607 . 15 1 1 A 67 67 TYR CA C 67 54.076 55.357 -1.281 1
1 608 . 15 1 1 A 67 67 TYR CB C 67 38.903 41.866 -2.963 1
1 609 . 15 1 1 A 67 67 TYR C C 67 169.640 174.021 -4.381 1
1 610 . 15 1 1 A 67 67 TYR HA H 67 5.023 5.830 -0.807 1
1 612 . 15 1 1 A 68 68 GLY H H 68 8.928 8.592 0.336 1
1 613 . 15 1 1 A 68 68 GLY N N 68 105.646 106.773 -1.127 1
1 614 . 15 1 1 A 68 68 GLY CA C 68 41.569 45.555 -3.986 1
1 615 . 15 1 1 A 68 68 GLY C C 68 170.551 173.644 -3.093 1
1 616 . 15 1 1 A 68 68 GLY HA2 H 68 4.676 4.293 0.383 1
1 617 . 15 1 1 A 69 69 SER H H 69 9.608 9.277 0.331 1
1 618 . 15 1 1 A 69 69 SER N N 69 120.100 119.963 0.137 1
1 619 . 15 1 1 A 69 69 SER CA C 69 53.737 59.456 -5.719 1
1 620 . 15 1 1 A 69 69 SER CB C 69 63.042 65.998 -2.956 1
1 621 . 15 1 1 A 69 69 SER C C 69 174.219 174.963 -0.744 1
1 622 . 15 1 1 A 69 69 SER HA H 69 4.966 4.922 0.044 1
1 625 . 15 1 1 A 70 70 GLN H H 70 9.343 8.174 1.169 1
1 626 . 15 1 1 A 70 70 GLN N N 70 127.339 119.792 7.547 1
1 627 . 15 1 1 A 70 70 GLN CA C 70 56.139 57.929 -1.790 1
1 628 . 15 1 1 A 70 70 GLN CB C 70 27.092 30.153 -3.061 1
1 629 . 15 1 1 A 70 70 GLN C C 70 173.241 175.113 -1.872 1
1 630 . 15 1 1 A 70 70 GLN HA H 70 4.286 4.095 0.191 1
1 638 . 15 1 1 A 71 71 THR H H 71 7.532 7.759 -0.227 1
1 639 . 15 1 1 A 71 71 THR N N 71 108.100 111.951 -3.851 1
1 640 . 15 1 1 A 71 71 THR CA C 71 55.203 59.008 -3.805 1
1 641 . 15 1 1 A 71 71 THR HA H 71 4.780 4.913 -0.133 1
1 643 . 15 1 1 A 72 72 PRO CA C 72 60.050 62.185 -2.135 1
1 644 . 15 1 1 A 72 72 PRO CB C 72 26.678 31.056 -4.378 1
1 645 . 15 1 1 A 72 72 PRO C C 72 172.920 176.258 -3.338 1
1 646 . 15 1 1 A 72 72 PRO HA H 72 4.173 5.116 -0.943 1
1 649 . 15 1 1 A 73 73 ASN H H 73 7.321 8.854 -1.533 1
1 650 . 15 1 1 A 73 73 ASN N N 73 119.200 121.594 -2.394 1
1 651 . 15 1 1 A 73 73 ASN CA C 73 49.994 52.209 -2.215 1
1 652 . 15 1 1 A 74 74 GLU H H 74 9.030 8.724 0.306 1
1 653 . 15 1 1 A 74 74 GLU CA C 74 57.131 55.302 1.829 1
1 654 . 15 1 1 A 74 74 GLU CB C 74 27.005 29.409 -2.404 1
1 655 . 15 1 1 A 74 74 GLU C C 74 176.352 176.128 0.224 1
1 656 . 15 1 1 A 74 74 GLU HA H 74 4.130 4.678 -0.548 1
1 661 . 15 1 1 A 75 75 GLU H H 75 8.574 8.572 0.002 1
1 662 . 15 1 1 A 75 75 GLU N N 75 119.200 124.091 -4.891 1
1 663 . 15 1 1 A 75 75 GLU CA C 75 56.343 56.450 -0.107 1
1 664 . 15 1 1 A 75 75 GLU CB C 75 26.028 31.447 -5.419 1
1 665 . 15 1 1 A 75 75 GLU C C 75 173.866 176.624 -2.758 1
1 666 . 15 1 1 A 75 75 GLU HA H 75 4.206 4.526 -0.320 1
1 671 . 15 1 1 A 76 76 CYS H H 76 7.727 7.831 -0.104 1
1 672 . 15 1 1 A 76 76 CYS N N 76 113.800 118.381 -4.581 1
1 673 . 15 1 1 A 76 76 CYS CA C 76 55.635 61.783 -6.148 1
1 674 . 15 1 1 A 76 76 CYS CB C 76 26.036 27.562 -1.526 1
1 675 . 15 1 1 A 76 76 CYS C C 76 170.849 174.244 -3.395 1
1 676 . 15 1 1 A 76 76 CYS HA H 76 5.426 4.074 1.352 1
1 679 . 15 1 1 A 77 77 LEU H H 77 6.241 7.393 -1.152 1
1 680 . 15 1 1 A 77 77 LEU N N 77 118.069 116.830 1.239 1
1 681 . 15 1 1 A 77 77 LEU CA C 77 51.793 53.345 -1.552 1
1 682 . 15 1 1 A 77 77 LEU CB C 77 42.123 43.289 -1.166 1
1 683 . 15 1 1 A 77 77 LEU C C 77 173.882 175.761 -1.879 1
1 684 . 15 1 1 A 77 77 LEU HA H 77 4.555 4.290 0.265 1
1 694 . 15 1 1 A 78 78 PHE H H 78 9.067 8.692 0.375 1
1 695 . 15 1 1 A 78 78 PHE N N 78 122.377 119.407 2.970 1
1 696 . 15 1 1 A 78 78 PHE CA C 78 54.917 56.342 -1.425 1
1 697 . 15 1 1 A 78 78 PHE CB C 78 40.597 44.006 -3.409 1
1 698 . 15 1 1 A 78 78 PHE C C 78 171.853 174.714 -2.861 1
1 699 . 15 1 1 A 78 78 PHE HA H 78 5.169 5.100 0.069 1
1 702 . 15 1 1 A 79 79 LEU H H 79 9.958 8.810 1.148 1
1 703 . 15 1 1 A 79 79 LEU N N 79 122.126 123.234 -1.108 1
1 704 . 15 1 1 A 79 79 LEU CA C 79 51.232 54.336 -3.104 1
1 705 . 15 1 1 A 79 79 LEU CB C 79 38.511 44.449 -5.938 1
1 706 . 15 1 1 A 79 79 LEU C C 79 173.055 175.543 -2.488 1
1 707 . 15 1 1 A 79 79 LEU HA H 79 4.686 4.973 -0.287 1
1 713 . 15 1 1 A 80 80 GLU H H 80 8.347 9.375 -1.028 1
1 714 . 15 1 1 A 80 80 GLU N N 80 126.300 128.105 -1.805 1
1 715 . 15 1 1 A 80 80 GLU CA C 80 52.558 54.923 -2.365 1
1 716 . 15 1 1 A 80 80 GLU CB C 80 30.892 31.617 -0.725 1
1 717 . 15 1 1 A 80 80 GLU C C 80 173.355 175.093 -1.738 1
1 718 . 15 1 1 A 80 80 GLU HA H 80 4.832 4.766 0.066 1
1 721 . 15 1 1 A 81 81 ARG H H 81 8.840 8.731 0.109 1
1 722 . 15 1 1 A 81 81 ARG N N 81 129.522 128.693 0.829 1
1 723 . 15 1 1 A 81 81 ARG CA C 81 52.288 54.779 -2.491 1
1 724 . 15 1 1 A 81 81 ARG CB C 81 38.588 33.075 5.513 1
1 725 . 15 1 1 A 81 81 ARG C C 81 172.258 174.462 -2.204 1
1 726 . 15 1 1 A 81 81 ARG HA H 81 4.659 4.871 -0.212 1
1 732 . 15 1 1 A 82 82 LEU H H 82 8.347 8.749 -0.402 1
1 733 . 15 1 1 A 82 82 LEU N N 82 125.700 124.196 1.504 1
1 734 . 15 1 1 A 82 82 LEU CA C 82 52.631 53.649 -1.018 1
1 735 . 15 1 1 A 82 82 LEU CB C 82 40.304 43.003 -2.699 1
1 736 . 15 1 1 A 82 82 LEU C C 82 174.567 175.054 -0.487 1
1 737 . 15 1 1 A 82 82 LEU HA H 82 4.875 4.920 -0.045 1
1 744 . 15 1 1 A 83 83 GLU H H 83 9.064 8.590 0.474 1
1 745 . 15 1 1 A 83 83 GLU N N 83 125.600 125.406 0.194 1
1 746 . 15 1 1 A 83 83 GLU CA C 83 51.723 54.695 -2.972 1
1 747 . 15 1 1 A 83 83 GLU CB C 83 43.703 30.892 12.811 1
1 748 . 15 1 1 A 83 83 GLU C C 83 174.885 174.764 0.121 1
1 749 . 15 1 1 A 83 83 GLU HA H 83 4.974 4.733 0.241 1
1 752 . 15 1 1 A 84 84 GLU H H 84 8.806 8.350 0.456 1
1 753 . 15 1 1 A 84 84 GLU N N 84 120.300 126.199 -5.899 1
1 754 . 15 1 1 A 84 84 GLU CA C 84 55.553 55.272 0.281 1
1 755 . 15 1 1 A 84 84 GLU CB C 84 27.117 31.506 -4.389 1
1 756 . 15 1 1 A 84 84 GLU C C 84 174.261 175.115 -0.854 1
1 757 . 15 1 1 A 84 84 GLU HA H 84 4.112 4.450 -0.338 1
1 761 . 15 1 1 A 85 85 ASN H H 85 8.429 8.731 -0.302 1
1 762 . 15 1 1 A 85 85 ASN N N 85 114.800 121.295 -6.495 1
1 763 . 15 1 1 A 85 85 ASN CA C 85 51.788 53.344 -1.556 1
1 764 . 15 1 1 A 85 85 ASN CB C 85 35.301 39.600 -4.299 1
1 765 . 15 1 1 A 85 85 ASN C C 85 172.203 174.823 -2.620 1
1 766 . 15 1 1 A 85 85 ASN HA H 85 4.343 4.920 -0.577 1
1 769 . 15 1 1 A 86 86 HIS H H 86 8.081 7.618 0.463 1
1 770 . 15 1 1 A 86 86 HIS N N 86 108.737 115.550 -6.813 1
1 771 . 15 1 1 A 86 86 HIS CA C 86 55.255 55.836 -0.581 1
1 772 . 15 1 1 A 86 86 HIS CB C 86 24.858 31.290 -6.432 1
1 773 . 15 1 1 A 86 86 HIS C C 86 171.039 174.797 -3.758 1
1 774 . 15 1 1 A 86 86 HIS HA H 86 4.260 4.623 -0.363 1
1 777 . 15 1 1 A 87 87 TYR H H 87 7.592 7.796 -0.204 1
1 778 . 15 1 1 A 87 87 TYR N N 87 117.738 119.812 -2.074 1
1 779 . 15 1 1 A 87 87 TYR CA C 87 56.163 57.776 -1.613 1
1 780 . 15 1 1 A 87 87 TYR CB C 87 38.643 39.630 -0.987 1
1 781 . 15 1 1 A 87 87 TYR C C 87 171.983 174.733 -2.750 1
1 782 . 15 1 1 A 87 87 TYR HA H 87 4.836 4.446 0.390 1
1 784 . 15 1 1 A 88 88 ASN H H 88 9.840 8.823 1.017 1
1 785 . 15 1 1 A 88 88 ASN N N 88 118.891 121.869 -2.978 1
1 786 . 15 1 1 A 88 88 ASN CA C 88 50.063 52.301 -2.238 1
1 787 . 15 1 1 A 88 88 ASN CB C 88 40.242 40.838 -0.596 1
1 788 . 15 1 1 A 88 88 ASN C C 88 172.471 174.167 -1.696 1
1 789 . 15 1 1 A 88 88 ASN HA H 88 5.837 5.252 0.585 1
1 795 . 15 1 1 A 89 89 THR H H 89 8.380 8.456 -0.076 1
1 796 . 15 1 1 A 89 89 THR N N 89 108.521 118.742 -10.221 1
1 797 . 15 1 1 A 89 89 THR CA C 89 57.357 60.272 -2.915 1
1 798 . 15 1 1 A 89 89 THR CB C 89 70.868 72.686 -1.818 1
1 799 . 15 1 1 A 89 89 THR C C 89 170.548 172.297 -1.749 1
1 800 . 15 1 1 A 89 89 THR HA H 89 5.127 5.503 -0.376 1
1 805 . 15 1 1 A 90 90 TYR H H 90 10.247 8.991 1.256 1
1 806 . 15 1 1 A 90 90 TYR N N 90 119.000 121.831 -2.831 1
1 807 . 15 1 1 A 90 90 TYR CA C 90 55.106 55.972 -0.866 1
1 808 . 15 1 1 A 90 90 TYR CB C 90 39.047 42.649 -3.602 1
1 809 . 15 1 1 A 90 90 TYR C C 90 172.442 174.967 -2.525 1
1 810 . 15 1 1 A 90 90 TYR HA H 90 5.472 5.329 0.143 1
1 812 . 15 1 1 A 91 91 ILE H H 91 8.781 9.473 -0.692 1
1 813 . 15 1 1 A 91 91 ILE N N 91 122.546 122.873 -0.327 1
1 814 . 15 1 1 A 91 91 ILE CA C 91 56.346 59.610 -3.264 1
1 815 . 15 1 1 A 91 91 ILE CB C 91 36.627 41.101 -4.474 1
1 816 . 15 1 1 A 91 91 ILE C C 91 172.924 175.083 -2.159 1
1 817 . 15 1 1 A 91 91 ILE HA H 91 4.673 4.970 -0.297 1
1 826 . 15 1 1 A 92 92 SER H H 92 8.191 8.508 -0.317 1
1 827 . 15 1 1 A 92 92 SER N N 92 120.200 120.001 0.199 1
1 828 . 15 1 1 A 92 92 SER CA C 92 55.781 57.562 -1.781 1
1 829 . 15 1 1 A 92 92 SER CB C 92 62.382 63.334 -0.952 1
1 830 . 15 1 1 A 92 92 SER C C 92 172.863 174.889 -2.026 1
1 831 . 15 1 1 A 92 92 SER HA H 92 4.016 5.350 -1.334 1
1 833 . 15 1 1 A 93 93 LYS H H 93 7.993 8.956 -0.963 1
1 834 . 15 1 1 A 93 93 LYS N N 93 130.618 127.263 3.355 1
1 835 . 15 1 1 A 93 93 LYS CA C 93 57.942 58.851 -0.909 1
1 836 . 15 1 1 A 93 93 LYS CB C 93 30.889 32.380 -1.491 1
1 837 . 15 1 1 A 93 93 LYS C C 93 176.938 177.933 -0.995 1
1 838 . 15 1 1 A 93 93 LYS HA H 93 3.779 4.181 -0.402 1
1 844 . 15 1 1 A 94 94 LYS H H 94 8.616 7.855 0.761 1
1 845 . 15 1 1 A 94 94 LYS N N 94 120.044 119.726 0.318 1
1 846 . 15 1 1 A 94 94 LYS CA C 94 55.868 59.021 -3.153 1
1 847 . 15 1 1 A 94 94 LYS CB C 94 30.329 32.759 -2.430 1
1 848 . 15 1 1 A 94 94 LYS C C 94 174.491 177.734 -3.243 1
1 849 . 15 1 1 A 94 94 LYS HA H 94 3.851 4.069 -0.218 1
1 856 . 15 1 1 A 95 95 HIS H H 95 7.249 8.711 -1.462 1
1 857 . 15 1 1 A 95 95 HIS N N 95 114.486 116.280 -1.794 1
1 858 . 15 1 1 A 95 95 HIS CA C 95 51.180 54.536 -3.356 1
1 859 . 15 1 1 A 95 95 HIS CB C 95 26.844 28.222 -1.378 1
1 860 . 15 1 1 A 95 95 HIS C C 95 173.734 175.892 -2.158 1
1 861 . 15 1 1 A 95 95 HIS HA H 95 4.604 4.774 -0.170 1
1 864 . 15 1 1 A 96 96 ALA H H 96 7.104 7.854 -0.750 1
1 865 . 15 1 1 A 96 96 ALA N N 96 125.204 124.172 1.032 1
1 866 . 15 1 1 A 96 96 ALA CA C 96 53.758 55.275 -1.517 1
1 867 . 15 1 1 A 96 96 ALA CB C 96 16.578 18.642 -2.064 1
1 868 . 15 1 1 A 96 96 ALA C C 96 178.508 180.327 -1.819 1
1 869 . 15 1 1 A 96 96 ALA HA H 96 4.131 3.888 0.243 1
1 873 . 15 1 1 A 97 97 GLU H H 97 8.857 8.048 0.809 1
1 874 . 15 1 1 A 97 97 GLU N N 97 118.007 118.358 -0.351 1
1 875 . 15 1 1 A 97 97 GLU CA C 97 56.153 58.707 -2.554 1
1 876 . 15 1 1 A 97 97 GLU CB C 97 26.241 29.175 -2.934 1
1 877 . 15 1 1 A 97 97 GLU C C 97 174.813 178.331 -3.518 1
1 878 . 15 1 1 A 97 97 GLU HA H 97 4.063 4.069 -0.006 1
1 882 . 15 1 1 A 98 98 LYS H H 98 7.116 7.844 -0.728 1
1 883 . 15 1 1 A 98 98 LYS N N 98 116.241 119.066 -2.825 1
1 884 . 15 1 1 A 98 98 LYS CA C 98 52.852 56.242 -3.390 1
1 885 . 15 1 1 A 98 98 LYS CB C 98 29.959 32.888 -2.929 1
1 886 . 15 1 1 A 98 98 LYS C C 98 173.361 176.232 -2.871 1
1 887 . 15 1 1 A 98 98 LYS HA H 98 4.280 4.371 -0.091 1
1 893 . 15 1 1 A 99 99 ASN H H 99 7.842 8.187 -0.345 1
1 894 . 15 1 1 A 99 99 ASN N N 99 113.000 117.598 -4.598 1
1 895 . 15 1 1 A 99 99 ASN CA C 99 52.240 54.591 -2.351 1
1 896 . 15 1 1 A 99 99 ASN CB C 99 35.289 37.936 -2.647 1
1 897 . 15 1 1 A 99 99 ASN C C 99 170.506 174.413 -3.907 1
1 898 . 15 1 1 A 99 99 ASN HA H 99 3.772 4.308 -0.536 1
1 904 . 15 1 1 A 100 100 TRP H H 100 6.369 7.838 -1.469 1
1 905 . 15 1 1 A 100 100 TRP N N 100 116.000 120.651 -4.651 1
1 906 . 15 1 1 A 100 100 TRP CA C 100 53.179 57.985 -4.806 1
1 907 . 15 1 1 A 100 100 TRP CB C 100 28.228 30.552 -2.324 1
1 908 . 15 1 1 A 100 100 TRP C C 100 171.701 176.320 -4.619 1
1 909 . 15 1 1 A 100 100 TRP HA H 100 4.816 4.877 -0.061 1
1 912 . 15 1 1 A 101 101 PHE H H 101 8.026 8.945 -0.919 1
1 913 . 15 1 1 A 101 101 PHE N N 101 124.185 121.658 2.527 1
1 914 . 15 1 1 A 101 101 PHE CA C 101 55.472 57.373 -1.901 1
1 915 . 15 1 1 A 101 101 PHE CB C 101 39.220 41.456 -2.236 1
1 916 . 15 1 1 A 101 101 PHE C C 101 175.044 174.978 0.066 1
1 917 . 15 1 1 A 101 101 PHE HA H 101 5.373 5.240 0.133 1
1 920 . 15 1 1 A 102 102 VAL H H 102 8.499 9.188 -0.689 1
1 921 . 15 1 1 A 102 102 VAL N N 102 120.282 121.842 -1.560 1
1 922 . 15 1 1 A 102 102 VAL CA C 102 60.975 60.807 0.168 1
1 923 . 15 1 1 A 102 102 VAL CB C 102 30.243 33.142 -2.899 1
1 924 . 15 1 1 A 102 102 VAL C C 102 174.220 175.026 -0.806 1
1 925 . 15 1 1 A 102 102 VAL HA H 102 3.939 4.807 -0.868 1
1 930 . 15 1 1 A 103 103 GLY H H 103 8.996 8.873 0.123 1
1 931 . 15 1 1 A 103 103 GLY N N 103 114.668 115.097 -0.429 1
1 932 . 15 1 1 A 103 103 GLY CA C 103 43.802 44.767 -0.965 1
1 933 . 15 1 1 A 103 103 GLY C C 103 169.388 172.809 -3.421 1
1 934 . 15 1 1 A 103 103 GLY HA2 H 103 5.275 4.330 0.945 1
1 935 . 15 1 1 A 103 103 GLY HA3 H 103 3.180 4.795 -1.615 1
1 936 . 15 1 1 A 104 104 LEU H H 104 8.118 8.636 -0.518 1
1 937 . 15 1 1 A 104 104 LEU N N 104 119.100 122.262 -3.162 1
1 938 . 15 1 1 A 104 104 LEU CA C 104 51.207 52.915 -1.708 1
1 939 . 15 1 1 A 104 104 LEU CB C 104 43.579 44.282 -0.703 1
1 940 . 15 1 1 A 104 104 LEU C C 104 174.252 174.764 -0.512 1
1 941 . 15 1 1 A 104 104 LEU HA H 104 4.959 5.106 -0.147 1
1 950 . 15 1 1 A 105 105 LYS H H 105 8.847 8.637 0.210 1
1 951 . 15 1 1 A 105 105 LYS N N 105 118.900 123.235 -4.335 1
1 952 . 15 1 1 A 105 105 LYS CA C 105 54.035 55.337 -1.302 1
1 953 . 15 1 1 A 105 105 LYS C C 105 176.404 176.691 -0.287 1
1 954 . 15 1 1 A 105 105 LYS HA H 105 4.215 4.338 -0.123 1
1 960 . 15 1 1 A 106 106 LYS H H 106 8.980 8.442 0.538 1
1 961 . 15 1 1 A 106 106 LYS N N 106 122.172 124.597 -2.425 1
1 962 . 15 1 1 A 106 106 LYS CA C 106 57.672 58.812 -1.140 1
1 963 . 15 1 1 A 106 106 LYS CB C 106 29.780 31.932 -2.152 1
1 964 . 15 1 1 A 106 106 LYS C C 106 174.499 177.397 -2.898 1
1 965 . 15 1 1 A 106 106 LYS HA H 106 3.624 3.994 -0.370 1
1 970 . 15 1 1 A 107 107 ASN H H 107 7.352 8.752 -1.400 1
1 971 . 15 1 1 A 107 107 ASN N N 107 112.743 117.584 -4.841 1
1 972 . 15 1 1 A 107 107 ASN CA C 107 49.523 54.165 -4.642 1
1 973 . 15 1 1 A 107 107 ASN CB C 107 35.121 36.743 -1.622 1
1 974 . 15 1 1 A 107 107 ASN C C 107 174.511 175.282 -0.771 1
1 975 . 15 1 1 A 107 107 ASN HA H 107 4.678 4.124 0.554 1
1 978 . 15 1 1 A 108 108 GLY H H 108 7.656 7.608 0.048 1
1 979 . 15 1 1 A 108 108 GLY N N 108 109.900 109.040 0.860 1
1 980 . 15 1 1 A 108 108 GLY CA C 108 42.207 45.608 -3.401 1
1 981 . 15 1 1 A 108 108 GLY C C 108 169.305 173.883 -4.578 1
1 982 . 15 1 1 A 108 108 GLY HA3 H 108 3.358 3.935 -0.577 1
1 983 . 15 1 1 A 108 108 GLY HA2 H 108 2.111 3.888 -1.777 1
1 984 . 15 1 1 A 109 109 SER H H 109 7.280 7.958 -0.678 1
1 985 . 15 1 1 A 109 109 SER N N 109 112.357 110.323 2.034 1
1 986 . 15 1 1 A 109 109 SER CA C 109 55.139 57.219 -2.080 1
1 987 . 15 1 1 A 109 109 SER CB C 109 62.749 65.718 -2.969 1
1 988 . 15 1 1 A 109 109 SER C C 109 171.244 172.659 -1.415 1
1 989 . 15 1 1 A 109 109 SER HA H 109 4.755 4.935 -0.180 1
1 992 . 15 1 1 A 110 110 CYS H H 110 9.070 8.101 0.969 1
1 993 . 15 1 1 A 110 110 CYS N N 110 119.883 121.555 -1.672 1
1 994 . 15 1 1 A 110 110 CYS CA C 110 57.858 57.339 0.519 1
1 995 . 15 1 1 A 110 110 CYS CB C 110 37.322 28.468 8.854 1
1 996 . 15 1 1 A 110 110 CYS C C 110 172.131 174.020 -1.889 1
1 997 . 15 1 1 A 110 110 CYS HA H 110 4.296 4.949 -0.653 1
1 1000 . 15 1 1 A 111 111 LYS H H 111 8.095 9.033 -0.938 1
1 1001 . 15 1 1 A 111 111 LYS N N 111 128.642 122.537 6.105 1
1 1002 . 15 1 1 A 111 111 LYS CA C 111 52.117 54.853 -2.736 1
1 1003 . 15 1 1 A 111 111 LYS CB C 111 30.980 34.764 -3.784 1
1 1004 . 15 1 1 A 111 111 LYS C C 111 172.265 175.421 -3.156 1
1 1005 . 15 1 1 A 111 111 LYS HA H 111 4.380 5.133 -0.753 1
1 1010 . 15 1 1 A 112 112 ARG H H 112 8.566 8.865 -0.299 1
1 1011 . 15 1 1 A 112 112 ARG N N 112 124.700 124.774 -0.074 1
1 1012 . 15 1 1 A 112 112 ARG CA C 112 54.295 55.153 -0.858 1
1 1013 . 15 1 1 A 112 112 ARG CB C 112 28.927 31.336 -2.409 1
1 1014 . 15 1 1 A 112 112 ARG C C 112 175.240 175.301 -0.061 1
1 1015 . 15 1 1 A 112 112 ARG HA H 112 4.252 4.662 -0.410 1
1 1021 . 15 1 1 A 113 113 GLY H H 113 9.408 8.313 1.095 1
1 1022 . 15 1 1 A 113 113 GLY N N 113 106.636 111.355 -4.719 1
1 1023 . 15 1 1 A 113 113 GLY CA C 113 44.552 45.121 -0.569 1
1 1024 . 15 1 1 A 113 113 GLY C C 113 169.610 173.380 -3.770 1
1 1025 . 15 1 1 A 113 113 GLY HA2 H 113 1.510 3.696 -2.186 1
1 1026 . 15 1 1 A 114 114 PRO CA C 114 62.529 63.590 -1.061 1
1 1027 . 15 1 1 A 114 114 PRO C C 114 174.543 176.459 -1.916 1
1 1028 . 15 1 1 A 114 114 PRO HA H 114 4.321 4.036 0.285 1
1 1033 . 15 1 1 A 115 115 ARG H H 115 8.067 7.788 0.279 1
1 1034 . 15 1 1 A 115 115 ARG N N 115 114.500 117.490 -2.990 1
1 1035 . 15 1 1 A 115 115 ARG CA C 115 52.011 55.994 -3.983 1
1 1036 . 15 1 1 A 115 115 ARG CB C 115 27.143 31.289 -4.146 1
1 1037 . 15 1 1 A 115 115 ARG C C 115 174.680 175.687 -1.007 1
1 1038 . 15 1 1 A 115 115 ARG HA H 115 4.508 4.319 0.189 1
1 1043 . 15 1 1 A 116 116 THR H H 116 7.643 7.146 0.497 1
1 1044 . 15 1 1 A 116 116 THR N N 116 111.716 109.913 1.803 1
1 1045 . 15 1 1 A 116 116 THR CA C 116 58.712 60.219 -1.507 1
1 1046 . 15 1 1 A 116 116 THR CB C 116 70.086 70.684 -0.598 1
1 1047 . 15 1 1 A 116 116 THR C C 116 172.573 173.298 -0.725 1
1 1048 . 15 1 1 A 116 116 THR HA H 116 5.198 4.551 0.647 1
1 1053 . 15 1 1 A 117 117 HIS H H 117 7.091 8.343 -1.252 1
1 1054 . 15 1 1 A 117 117 HIS N N 117 112.914 118.165 -5.251 1
1 1055 . 15 1 1 A 117 117 HIS CA C 117 53.291 54.565 -1.274 1
1 1056 . 15 1 1 A 117 117 HIS CB C 117 29.133 31.256 -2.123 1
1 1057 . 15 1 1 A 117 117 HIS C C 117 170.344 171.334 -0.990 1
1 1058 . 15 1 1 A 117 117 HIS HA H 117 4.868 3.356 1.512 1
1 1061 . 15 1 1 A 118 118 TYR H H 118 9.020 8.679 0.341 1
1 1062 . 15 1 1 A 118 118 TYR N N 118 123.051 120.488 2.563 1
1 1063 . 15 1 1 A 118 118 TYR CA C 118 58.801 56.401 2.400 1
1 1064 . 15 1 1 A 118 118 TYR CB C 118 29.959 37.735 -7.776 1
1 1065 . 15 1 1 A 118 118 TYR C C 118 174.446 175.032 -0.586 1
1 1066 . 15 1 1 A 118 118 TYR HA H 118 3.897 4.516 -0.619 1
1 1069 . 15 1 1 A 119 119 GLY H H 119 7.999 8.534 -0.535 1
1 1070 . 15 1 1 A 119 119 GLY N N 119 116.885 112.885 4.000 1
1 1071 . 15 1 1 A 119 119 GLY CA C 119 42.599 45.581 -2.982 1
1 1072 . 15 1 1 A 119 119 GLY C C 119 172.439 173.411 -0.972 1
1 1073 . 15 1 1 A 119 119 GLY HA3 H 119 4.385 3.797 0.588 1
1 1074 . 15 1 1 A 119 119 GLY HA2 H 119 3.296 3.487 -0.191 1
1 1075 . 15 1 1 A 120 120 GLN H H 120 7.003 7.348 -0.345 1
1 1076 . 15 1 1 A 120 120 GLN N N 120 118.266 118.211 0.055 1
1 1077 . 15 1 1 A 120 120 GLN CA C 120 52.617 53.648 -1.031 1
1 1078 . 15 1 1 A 120 120 GLN CB C 120 27.324 32.243 -4.919 1
1 1079 . 15 1 1 A 120 120 GLN C C 120 174.995 175.698 -0.703 1
1 1080 . 15 1 1 A 120 120 GLN HA H 120 4.262 4.478 -0.216 1
1 1083 . 15 1 1 A 121 121 LYS H H 121 8.477 8.612 -0.135 1
1 1084 . 15 1 1 A 121 121 LYS N N 121 121.222 123.445 -2.223 1
1 1085 . 15 1 1 A 121 121 LYS CA C 121 56.243 57.272 -1.029 1
1 1086 . 15 1 1 A 121 121 LYS CB C 121 29.598 31.864 -2.266 1
1 1087 . 15 1 1 A 121 121 LYS C C 121 172.702 177.362 -4.660 1
1 1088 . 15 1 1 A 121 121 LYS HA H 121 3.809 4.111 -0.302 1
1 1093 . 15 1 1 A 122 122 ALA H H 122 7.526 7.576 -0.050 1
1 1094 . 15 1 1 A 122 122 ALA N N 122 116.019 121.734 -5.715 1
1 1095 . 15 1 1 A 122 122 ALA CA C 122 52.338 53.766 -1.428 1
1 1096 . 15 1 1 A 122 122 ALA CB C 122 18.675 18.126 0.549 1
1 1097 . 15 1 1 A 122 122 ALA C C 122 172.756 177.572 -4.816 1
1 1098 . 15 1 1 A 122 122 ALA HA H 122 3.947 4.009 -0.062 1
1 1102 . 15 1 1 A 123 123 ILE H H 123 5.794 6.873 -1.079 1
1 1103 . 15 1 1 A 123 123 ILE N N 123 101.200 114.056 -12.856 1
1 1104 . 15 1 1 A 123 123 ILE CA C 123 57.297 61.057 -3.760 1
1 1105 . 15 1 1 A 123 123 ILE CB C 123 35.425 37.729 -2.304 1
1 1106 . 15 1 1 A 123 123 ILE C C 123 172.790 175.313 -2.523 1
1 1107 . 15 1 1 A 123 123 ILE HA H 123 5.184 4.169 1.015 1
1 1116 . 15 1 1 A 124 124 LEU H H 124 6.716 7.235 -0.519 1
1 1117 . 15 1 1 A 124 124 LEU N N 124 121.554 122.793 -1.239 1
1 1118 . 15 1 1 A 124 124 LEU CA C 124 51.686 53.591 -1.905 1
1 1119 . 15 1 1 A 124 124 LEU CB C 124 39.622 41.069 -1.447 1
1 1120 . 15 1 1 A 124 124 LEU C C 124 173.411 175.041 -1.630 1
1 1121 . 15 1 1 A 124 124 LEU HA H 124 4.597 4.246 0.351 1
1 1130 . 15 1 1 A 125 125 PHE H H 125 9.226 9.162 0.064 1
1 1131 . 15 1 1 A 125 125 PHE N N 125 121.900 124.713 -2.813 1
1 1132 . 15 1 1 A 125 125 PHE CA C 125 54.604 56.937 -2.333 1
1 1133 . 15 1 1 A 125 125 PHE CB C 125 41.692 41.764 -0.072 1
1 1134 . 15 1 1 A 125 125 PHE C C 125 172.768 175.301 -2.533 1
1 1135 . 15 1 1 A 125 125 PHE HA H 125 5.612 5.123 0.489 1
1 1138 . 15 1 1 A 126 126 LEU H H 126 9.932 8.888 1.044 1
1 1139 . 15 1 1 A 126 126 LEU N N 126 125.427 121.927 3.500 1
1 1140 . 15 1 1 A 126 126 LEU CA C 126 48.875 51.443 -2.568 1
1 1141 . 15 1 1 A 127 127 PRO CA C 127 58.907 62.279 -3.372 1
1 1142 . 15 1 1 A 127 127 PRO CB C 127 28.730 31.657 -2.927 1
1 1143 . 15 1 1 A 127 127 PRO C C 127 174.541 176.078 -1.537 1
1 1144 . 15 1 1 A 127 127 PRO HA H 127 5.587 5.149 0.438 1
1 1147 . 15 1 1 A 128 128 LEU H H 128 9.674 8.379 1.295 1
1 1148 . 15 1 1 A 128 128 LEU N N 128 129.196 125.296 3.900 1
1 1149 . 15 1 1 A 128 128 LEU CA C 128 49.523 51.658 -2.135 1
1 1150 . 15 1 1 A 128 128 LEU C C 128 175.960 175.345 0.615 1
1 1151 . 15 1 1 A 129 129 PRO CA C 129 60.043 62.181 -2.138 1
1 1152 . 15 1 1 A 129 129 PRO CB C 129 29.800 32.375 -2.575 1
1 1153 . 15 1 1 A 129 129 PRO C C 129 174.414 176.588 -2.174 1
1 1154 . 15 1 1 A 129 129 PRO HA H 129 4.710 4.745 -0.035 1
1 1160 . 15 1 1 A 130 130 VAL H H 130 7.992 8.294 -0.302 1
1 1161 . 15 1 1 A 130 130 VAL N N 130 118.275 122.671 -4.396 1
1 1162 . 15 1 1 A 130 130 VAL CA C 130 61.494 62.830 -1.336 1
1 1163 . 15 1 1 A 130 130 VAL CB C 130 29.649 32.406 -2.757 1
1 1164 . 15 1 1 A 130 130 VAL C C 130 174.097 176.300 -2.203 1
1 1165 . 15 1 1 A 130 130 VAL HA H 130 3.794 4.089 -0.295 1
1 1173 . 15 1 1 A 131 131 SER H H 131 7.844 8.728 -0.884 1
1 1174 . 15 1 1 A 131 131 SER N N 131 115.853 122.757 -6.904 1
1 1175 . 15 1 1 A 131 131 SER CA C 131 55.233 57.871 -2.638 1
1 1176 . 15 1 1 A 131 131 SER CB C 131 61.375 64.659 -3.284 1
1 1177 . 15 1 1 A 131 131 SER C C 131 173.574 173.923 -0.349 1
1 1178 . 15 1 1 A 131 131 SER HA H 131 4.218 4.907 -0.689 1
1 1181 . 15 1 1 A 132 132 SER H H 132 8.196 8.828 -0.632 1
1 1182 . 15 1 1 A 132 132 SER N N 132 118.100 121.485 -3.385 1
1 1183 . 15 1 1 A 132 132 SER CA C 132 56.021 58.383 -2.362 1
1 1184 . 15 1 1 A 132 132 SER CB C 132 61.848 62.615 -0.767 1
1 1185 . 15 1 1 A 132 132 SER C C 132 170.997 172.787 -1.790 1
1 1186 . 15 1 1 A 132 132 SER HA H 132 4.484 4.826 -0.342 1
1 12 . 16 1 1 A 2 2 LYS H H 2 7.955 7.934 0.021 1
1 13 . 16 1 1 A 2 2 LYS N N 2 120.000 119.752 0.248 1
1 14 . 16 1 1 A 2 2 LYS CA C 2 51.913 56.950 -5.037 1
1 15 . 16 1 1 A 2 2 LYS C C 2 174.300 176.060 -1.760 1
1 16 . 16 1 1 A 2 2 LYS HA H 2 4.270 4.253 0.017 1
1 18 . 16 1 1 A 3 3 LYS H H 3 7.960 8.698 -0.738 1
1 19 . 16 1 1 A 3 3 LYS N N 3 119.640 123.769 -4.129 1
1 20 . 16 1 1 A 3 3 LYS CA C 3 51.900 57.717 -5.817 1
1 21 . 16 1 1 A 3 3 LYS HA H 3 4.600 4.488 0.112 1
1 24 . 16 1 1 A 4 4 PRO CA C 4 60.687 62.345 -1.658 1
1 25 . 16 1 1 A 4 4 PRO C C 4 172.359 176.919 -4.560 1
1 26 . 16 1 1 A 4 4 PRO CB C 4 30.627 32.561 -1.934 1
1 27 . 16 1 1 A 4 4 PRO HA H 4 4.716 4.997 -0.281 1
1 29 . 16 1 1 A 5 5 LYS H H 5 9.357 8.994 0.363 1
1 30 . 16 1 1 A 5 5 LYS N N 5 119.100 117.519 1.581 1
1 31 . 16 1 1 A 5 5 LYS CA C 5 51.445 55.204 -3.759 1
1 32 . 16 1 1 A 5 5 LYS CB C 5 34.945 34.129 0.816 1
1 33 . 16 1 1 A 5 5 LYS C C 5 171.776 175.160 -3.384 1
1 34 . 16 1 1 A 5 5 LYS HA H 5 5.062 4.639 0.423 1
1 37 . 16 1 1 A 6 6 LEU H H 6 8.944 8.916 0.028 1
1 38 . 16 1 1 A 6 6 LEU N N 6 117.400 122.910 -5.510 1
1 39 . 16 1 1 A 6 6 LEU CA C 6 50.259 53.517 -3.258 1
1 40 . 16 1 1 A 6 6 LEU CB C 6 41.472 45.194 -3.722 1
1 41 . 16 1 1 A 6 6 LEU C C 6 174.676 175.167 -0.491 1
1 42 . 16 1 1 A 6 6 LEU HA H 6 4.984 5.044 -0.060 1
1 51 . 16 1 1 A 7 7 LEU H H 7 10.297 8.730 1.567 1
1 52 . 16 1 1 A 7 7 LEU N N 7 125.000 126.677 -1.677 1
1 53 . 16 1 1 A 7 7 LEU CA C 7 53.596 53.615 -0.019 1
1 54 . 16 1 1 A 7 7 LEU C C 7 172.290 175.180 -2.890 1
1 55 . 16 1 1 A 7 7 LEU HA H 7 5.083 5.007 0.076 1
1 65 . 16 1 1 A 8 8 TYR H H 8 8.483 8.921 -0.438 1
1 66 . 16 1 1 A 8 8 TYR N N 8 125.000 128.635 -3.635 1
1 67 . 16 1 1 A 8 8 TYR CA C 8 54.761 56.708 -1.947 1
1 68 . 16 1 1 A 8 8 TYR CB C 8 37.988 40.678 -2.690 1
1 69 . 16 1 1 A 8 8 TYR C C 8 171.270 174.509 -3.239 1
1 70 . 16 1 1 A 8 8 TYR HA H 8 4.592 5.263 -0.671 1
1 73 . 16 1 1 A 9 9 CYS H H 9 9.235 8.633 0.602 1
1 74 . 16 1 1 A 9 9 CYS N N 9 130.104 128.547 1.557 1
1 75 . 16 1 1 A 9 9 CYS CA C 9 55.588 57.247 -1.659 1
1 76 . 16 1 1 A 9 9 CYS CB C 9 26.864 31.998 -5.134 1
1 77 . 16 1 1 A 9 9 CYS C C 9 172.619 173.563 -0.944 1
1 78 . 16 1 1 A 9 9 CYS HA H 9 4.163 5.525 -1.362 1
1 82 . 16 1 1 A 10 10 SER H H 10 8.173 8.749 -0.576 1
1 83 . 16 1 1 A 10 10 SER N N 10 122.600 118.991 3.609 1
1 84 . 16 1 1 A 10 10 SER CA C 10 57.853 58.036 -0.183 1
1 85 . 16 1 1 A 10 10 SER CB C 10 61.820 64.007 -2.187 1
1 86 . 16 1 1 A 10 10 SER C C 10 172.210 173.994 -1.784 1
1 87 . 16 1 1 A 10 10 SER HA H 10 3.920 4.596 -0.676 1
1 89 . 16 1 1 A 11 11 ASN H H 11 7.450 8.640 -1.190 1
1 90 . 16 1 1 A 11 11 ASN N N 11 119.550 122.916 -3.366 1
1 91 . 16 1 1 A 11 11 ASN CA C 11 52.430 52.506 -0.076 1
1 92 . 16 1 1 A 11 11 ASN HA H 11 4.360 4.565 -0.205 1
1 94 . 16 1 1 A 12 12 GLY C C 12 171.806 174.628 -2.822 1
1 95 . 16 1 1 A 12 12 GLY CA C 12 41.915 45.242 -3.327 1
1 96 . 16 1 1 A 12 12 GLY HA3 H 12 3.927 4.107 -0.180 1
1 97 . 16 1 1 A 12 12 GLY H H 12 7.096 8.762 -1.666 1
1 98 . 16 1 1 A 12 12 GLY N N 12 109.300 114.085 -4.785 1
1 99 . 16 1 1 A 13 13 GLY H H 13 7.096 8.157 -1.061 1
1 100 . 16 1 1 A 13 13 GLY N N 13 109.300 108.914 0.386 1
1 101 . 16 1 1 A 13 13 GLY CA C 13 44.272 46.814 -2.542 1
1 102 . 16 1 1 A 13 13 GLY C C 13 170.445 173.737 -3.292 1
1 103 . 16 1 1 A 13 13 GLY HA2 H 13 3.598 3.607 -0.009 1
1 104 . 16 1 1 A 13 13 GLY HA3 H 13 3.204 3.680 -0.476 1
1 105 . 16 1 1 A 14 14 HIS H H 14 6.302 7.654 -1.352 1
1 106 . 16 1 1 A 14 14 HIS N N 14 113.600 117.415 -3.815 1
1 107 . 16 1 1 A 14 14 HIS CA C 14 54.319 54.267 0.052 1
1 108 . 16 1 1 A 14 14 HIS CB C 14 31.792 34.695 -2.903 1
1 109 . 16 1 1 A 14 14 HIS C C 14 171.281 172.812 -1.531 1
1 110 . 16 1 1 A 14 14 HIS HA H 14 4.104 4.891 -0.787 1
1 113 . 16 1 1 A 15 15 PHE H H 15 9.298 8.855 0.443 1
1 114 . 16 1 1 A 15 15 PHE N N 15 120.700 118.038 2.662 1
1 115 . 16 1 1 A 15 15 PHE CA C 15 54.273 56.211 -1.938 1
1 116 . 16 1 1 A 15 15 PHE CB C 15 37.632 42.430 -4.798 1
1 117 . 16 1 1 A 15 15 PHE C C 15 173.938 174.794 -0.856 1
1 118 . 16 1 1 A 15 15 PHE HA H 15 5.390 4.988 0.402 1
1 121 . 16 1 1 A 16 16 LEU H H 16 8.480 8.967 -0.487 1
1 122 . 16 1 1 A 16 16 LEU N N 16 124.700 125.452 -0.752 1
1 123 . 16 1 1 A 16 16 LEU CA C 16 54.440 54.553 -0.113 1
1 124 . 16 1 1 A 16 16 LEU C C 16 171.758 176.151 -4.393 1
1 125 . 16 1 1 A 16 16 LEU CB C 16 41.301 42.623 -1.322 1
1 126 . 16 1 1 A 16 16 LEU HA H 16 4.394 4.873 -0.479 1
1 129 . 16 1 1 A 17 17 ARG H H 17 9.339 9.260 0.079 1
1 130 . 16 1 1 A 17 17 ARG N N 17 126.971 123.243 3.728 1
1 131 . 16 1 1 A 17 17 ARG CA C 17 53.301 54.240 -0.939 1
1 132 . 16 1 1 A 17 17 ARG CB C 17 32.620 33.891 -1.271 1
1 133 . 16 1 1 A 17 17 ARG C C 17 171.302 175.172 -3.870 1
1 134 . 16 1 1 A 17 17 ARG HA H 17 4.715 5.043 -0.328 1
1 141 . 16 1 1 A 18 18 ILE H H 18 6.989 8.462 -1.473 1
1 142 . 16 1 1 A 18 18 ILE N N 18 120.966 118.823 2.143 1
1 143 . 16 1 1 A 18 18 ILE CA C 18 57.903 60.120 -2.217 1
1 144 . 16 1 1 A 18 18 ILE C C 18 173.747 174.539 -0.792 1
1 145 . 16 1 1 A 18 18 ILE HA H 18 4.563 5.108 -0.545 1
1 150 . 16 1 1 A 19 19 LEU H H 19 8.940 8.809 0.131 1
1 151 . 16 1 1 A 19 19 LEU N N 19 128.097 126.753 1.344 1
1 152 . 16 1 1 A 19 19 LEU CA C 19 51.419 51.081 0.338 1
1 153 . 16 1 1 A 20 20 PRO CA C 20 62.710 64.019 -1.309 1
1 154 . 16 1 1 A 20 20 PRO CB C 20 29.518 31.771 -2.253 1
1 155 . 16 1 1 A 20 20 PRO C C 20 173.966 177.026 -3.060 1
1 156 . 16 1 1 A 20 20 PRO HA H 20 4.319 4.524 -0.205 1
1 161 . 16 1 1 A 21 21 ASP H H 21 7.415 8.094 -0.679 1
1 162 . 16 1 1 A 21 21 ASP N N 21 114.000 118.035 -4.035 1
1 163 . 16 1 1 A 21 21 ASP CA C 21 51.361 54.092 -2.731 1
1 164 . 16 1 1 A 21 21 ASP CB C 21 37.419 41.589 -4.170 1
1 165 . 16 1 1 A 21 21 ASP C C 21 174.570 176.478 -1.908 1
1 166 . 16 1 1 A 21 21 ASP HA H 21 4.513 4.676 -0.163 1
1 169 . 16 1 1 A 22 22 GLY H H 22 8.404 8.669 -0.265 1
1 170 . 16 1 1 A 22 22 GLY N N 22 109.100 106.368 2.732 1
1 171 . 16 1 1 A 22 22 GLY CA C 22 43.166 46.171 -3.005 1
1 172 . 16 1 1 A 22 22 GLY C C 22 172.565 174.235 -1.670 1
1 173 . 16 1 1 A 22 22 GLY HA3 H 22 4.632 4.125 0.507 1
1 174 . 16 1 1 A 22 22 GLY HA2 H 22 3.838 4.101 -0.263 1
1 175 . 16 1 1 A 23 23 THR H H 23 7.894 7.546 0.348 1
1 176 . 16 1 1 A 23 23 THR N N 23 116.800 113.850 2.950 1
1 177 . 16 1 1 A 23 23 THR CA C 23 61.304 61.277 0.027 1
1 178 . 16 1 1 A 23 23 THR CB C 23 67.455 72.403 -4.948 1
1 179 . 16 1 1 A 23 23 THR C C 23 170.170 172.546 -2.376 1
1 180 . 16 1 1 A 23 23 THR HA H 23 4.489 4.959 -0.470 1
1 185 . 16 1 1 A 24 24 VAL H H 24 7.792 9.060 -1.268 1
1 186 . 16 1 1 A 24 24 VAL N N 24 123.100 125.579 -2.479 1
1 187 . 16 1 1 A 24 24 VAL CA C 24 58.203 60.038 -1.835 1
1 188 . 16 1 1 A 24 24 VAL CB C 24 31.847 33.946 -2.099 1
1 189 . 16 1 1 A 24 24 VAL C C 24 171.629 174.160 -2.531 1
1 190 . 16 1 1 A 24 24 VAL HA H 24 5.084 5.384 -0.300 1
1 195 . 16 1 1 A 25 25 ASP H H 25 8.906 8.859 0.047 1
1 196 . 16 1 1 A 25 25 ASP N N 25 131.200 126.845 4.355 1
1 197 . 16 1 1 A 25 25 ASP CA C 25 50.847 52.234 -1.387 1
1 198 . 16 1 1 A 25 25 ASP CB C 25 38.730 44.805 -6.075 1
1 199 . 16 1 1 A 25 25 ASP C C 25 170.281 174.919 -4.638 1
1 200 . 16 1 1 A 25 25 ASP HA H 25 4.313 5.348 -1.035 1
1 203 . 16 1 1 A 26 26 GLY H H 26 7.891 8.357 -0.466 1
1 204 . 16 1 1 A 26 26 GLY N N 26 102.500 107.108 -4.608 1
1 205 . 16 1 1 A 26 26 GLY CA C 26 42.057 45.663 -3.606 1
1 206 . 16 1 1 A 26 26 GLY C C 26 169.975 173.070 -3.095 1
1 207 . 16 1 1 A 26 26 GLY HA3 H 26 5.529 4.070 1.459 1
1 208 . 16 1 1 A 26 26 GLY HA2 H 26 3.015 4.008 -0.993 1
1 209 . 16 1 1 A 27 27 THR H H 27 8.529 9.286 -0.757 1
1 210 . 16 1 1 A 27 27 THR N N 27 112.700 119.010 -6.310 1
1 211 . 16 1 1 A 27 27 THR CA C 27 56.740 61.223 -4.483 1
1 212 . 16 1 1 A 27 27 THR CB C 27 67.326 72.662 -5.336 1
1 213 . 16 1 1 A 27 27 THR C C 27 170.554 172.750 -2.196 1
1 214 . 16 1 1 A 27 27 THR HA H 27 5.189 5.032 0.157 1
1 219 . 16 1 1 A 28 28 ARG H H 28 8.993 8.740 0.253 1
1 220 . 16 1 1 A 28 28 ARG N N 28 127.500 127.107 0.393 1
1 221 . 16 1 1 A 28 28 ARG CA C 28 54.938 55.760 -0.822 1
1 222 . 16 1 1 A 28 28 ARG CB C 28 37.260 31.008 6.252 1
1 223 . 16 1 1 A 28 28 ARG C C 28 173.450 174.842 -1.392 1
1 224 . 16 1 1 A 28 28 ARG HA H 28 4.691 4.680 0.011 1
1 227 . 16 1 1 A 29 29 ASP H H 29 8.323 8.818 -0.495 1
1 228 . 16 1 1 A 29 29 ASP N N 29 121.000 127.278 -6.278 1
1 229 . 16 1 1 A 29 29 ASP CA C 29 50.779 53.292 -2.513 1
1 230 . 16 1 1 A 29 29 ASP C C 29 172.275 175.184 -2.909 1
1 231 . 16 1 1 A 29 29 ASP HA H 29 4.661 5.409 -0.748 1
1 234 . 16 1 1 A 30 30 ARG H H 30 8.342 8.688 -0.346 1
1 235 . 16 1 1 A 30 30 ARG N N 30 126.100 120.632 5.468 1
1 236 . 16 1 1 A 30 30 ARG CA C 30 54.924 55.279 -0.355 1
1 237 . 16 1 1 A 30 30 ARG CB C 30 28.367 30.815 -2.448 1
1 238 . 16 1 1 A 30 30 ARG C C 30 173.454 176.668 -3.214 1
1 239 . 16 1 1 A 30 30 ARG HA H 30 3.592 4.629 -1.037 1
1 243 . 16 1 1 A 31 31 SER H H 31 8.379 7.986 0.393 1
1 244 . 16 1 1 A 31 31 SER N N 31 113.600 114.335 -0.735 1
1 245 . 16 1 1 A 31 31 SER CA C 31 55.918 58.343 -2.425 1
1 246 . 16 1 1 A 31 31 SER CB C 31 61.807 63.881 -2.074 1
1 247 . 16 1 1 A 31 31 SER C C 31 171.758 173.332 -1.574 1
1 248 . 16 1 1 A 31 31 SER HA H 31 4.397 4.644 -0.247 1
1 251 . 16 1 1 A 32 32 ASP H H 32 7.105 7.877 -0.772 1
1 252 . 16 1 1 A 32 32 ASP N N 32 125.000 122.107 2.893 1
1 253 . 16 1 1 A 32 32 ASP CA C 32 53.116 52.005 1.111 1
1 254 . 16 1 1 A 32 32 ASP CB C 32 41.585 43.722 -2.137 1
1 255 . 16 1 1 A 32 32 ASP C C 32 174.497 174.867 -0.370 1
1 256 . 16 1 1 A 32 32 ASP HA H 32 4.276 4.957 -0.681 1
1 259 . 16 1 1 A 33 33 GLN H H 33 8.775 8.289 0.486 1
1 260 . 16 1 1 A 33 33 GLN N N 33 124.700 121.031 3.669 1
1 261 . 16 1 1 A 33 33 GLN CA C 33 55.127 54.787 0.340 1
1 262 . 16 1 1 A 33 33 GLN CB C 33 26.601 27.339 -0.738 1
1 263 . 16 1 1 A 33 33 GLN C C 33 174.900 175.825 -0.925 1
1 264 . 16 1 1 A 33 33 GLN HA H 33 4.061 4.657 -0.596 1
1 271 . 16 1 1 A 34 34 HIS H H 34 9.681 7.991 1.690 1
1 272 . 16 1 1 A 34 34 HIS N N 34 116.700 118.128 -1.428 1
1 273 . 16 1 1 A 34 34 HIS CA C 34 55.739 56.847 -1.108 1
1 274 . 16 1 1 A 34 34 HIS CB C 34 26.065 31.554 -5.489 1
1 275 . 16 1 1 A 34 34 HIS C C 34 172.307 176.433 -4.126 1
1 276 . 16 1 1 A 34 34 HIS HA H 34 4.885 4.758 0.127 1
1 279 . 16 1 1 A 35 35 ILE H H 35 6.711 7.416 -0.705 1
1 280 . 16 1 1 A 35 35 ILE N N 35 108.600 109.400 -0.800 1
1 281 . 16 1 1 A 35 35 ILE CA C 35 58.395 60.616 -2.221 1
1 282 . 16 1 1 A 35 35 ILE CB C 35 35.989 37.200 -1.211 1
1 283 . 16 1 1 A 35 35 ILE C C 35 172.249 176.014 -3.765 1
1 284 . 16 1 1 A 35 35 ILE HA H 35 5.114 4.303 0.811 1
1 293 . 16 1 1 A 36 36 GLN H H 36 7.148 7.895 -0.747 1
1 294 . 16 1 1 A 36 36 GLN N N 36 120.018 120.967 -0.949 1
1 295 . 16 1 1 A 36 36 GLN CA C 36 55.111 54.952 0.159 1
1 296 . 16 1 1 A 36 36 GLN CB C 36 25.190 29.960 -4.770 1
1 297 . 16 1 1 A 36 36 GLN C C 36 172.952 175.005 -2.053 1
1 298 . 16 1 1 A 36 36 GLN HA H 36 4.261 4.876 -0.615 1
1 305 . 16 1 1 A 37 37 LEU H H 37 9.110 8.870 0.240 1
1 306 . 16 1 1 A 37 37 LEU N N 37 127.600 123.201 4.399 1
1 307 . 16 1 1 A 37 37 LEU CA C 37 51.329 53.025 -1.696 1
1 308 . 16 1 1 A 37 37 LEU CB C 37 42.165 44.487 -2.322 1
1 309 . 16 1 1 A 37 37 LEU C C 37 172.877 175.067 -2.190 1
1 310 . 16 1 1 A 37 37 LEU HA H 37 5.315 5.111 0.204 1
1 319 . 16 1 1 A 38 38 GLN H H 38 9.556 9.243 0.313 1
1 320 . 16 1 1 A 38 38 GLN N N 38 120.583 122.006 -1.423 1
1 321 . 16 1 1 A 38 38 GLN CA C 38 51.810 55.100 -3.290 1
1 322 . 16 1 1 A 38 38 GLN CB C 38 29.259 29.640 -0.381 1
1 323 . 16 1 1 A 38 38 GLN C C 38 172.676 174.905 -2.229 1
1 324 . 16 1 1 A 38 38 GLN HA H 38 4.623 4.618 0.005 1
1 328 . 16 1 1 A 39 39 LEU H H 39 8.926 8.851 0.075 1
1 329 . 16 1 1 A 39 39 LEU N N 39 131.700 129.796 1.904 1
1 330 . 16 1 1 A 39 39 LEU CA C 39 53.062 54.184 -1.122 1
1 331 . 16 1 1 A 39 39 LEU C C 39 174.601 175.765 -1.164 1
1 332 . 16 1 1 A 39 39 LEU HA H 39 5.506 5.007 0.499 1
1 341 . 16 1 1 A 40 40 SER H H 40 8.569 9.147 -0.578 1
1 342 . 16 1 1 A 40 40 SER N N 40 115.900 125.063 -9.163 1
1 343 . 16 1 1 A 40 40 SER CA C 40 54.925 57.747 -2.822 1
1 344 . 16 1 1 A 40 40 SER CB C 40 46.694 64.887 -18.193 1
1 345 . 16 1 1 A 40 40 SER C C 40 170.046 173.834 -3.788 1
1 346 . 16 1 1 A 40 40 SER HA H 40 4.676 4.828 -0.152 1
1 349 . 16 1 1 A 41 41 ALA H H 41 8.357 8.793 -0.436 1
1 350 . 16 1 1 A 41 41 ALA N N 41 125.900 124.040 1.860 1
1 351 . 16 1 1 A 41 41 ALA CA C 41 49.309 50.141 -0.832 1
1 352 . 16 1 1 A 41 41 ALA CB C 41 27.376 21.483 5.893 1
1 353 . 16 1 1 A 41 41 ALA C C 41 175.352 176.160 -0.808 1
1 354 . 16 1 1 A 41 41 ALA HA H 41 5.016 5.131 -0.115 1
1 358 . 16 1 1 A 42 42 GLU H H 42 8.485 8.680 -0.195 1
1 359 . 16 1 1 A 42 42 GLU N N 42 125.400 122.862 2.538 1
1 360 . 16 1 1 A 42 42 GLU CA C 42 54.611 56.394 -1.783 1
1 361 . 16 1 1 A 42 42 GLU CB C 42 28.181 28.997 -0.816 1
1 362 . 16 1 1 A 42 42 GLU C C 42 174.014 176.523 -2.509 1
1 363 . 16 1 1 A 42 42 GLU HA H 42 4.444 5.595 -1.151 1
1 368 . 16 1 1 A 43 43 SER H H 43 8.020 8.738 -0.718 1
1 369 . 16 1 1 A 43 43 SER N N 43 113.900 120.658 -6.758 1
1 370 . 16 1 1 A 43 43 SER CA C 43 55.014 60.008 -4.994 1
1 371 . 16 1 1 A 43 43 SER CB C 43 61.687 63.285 -1.598 1
1 372 . 16 1 1 A 43 43 SER C C 43 171.119 173.985 -2.866 1
1 373 . 16 1 1 A 43 43 SER HA H 43 4.516 4.412 0.104 1
1 376 . 16 1 1 A 44 44 VAL H H 44 8.113 8.224 -0.111 1
1 377 . 16 1 1 A 44 44 VAL N N 44 121.100 120.693 0.407 1
1 378 . 16 1 1 A 44 44 VAL CA C 44 62.838 63.370 -0.532 1
1 379 . 16 1 1 A 44 44 VAL CB C 44 28.991 30.906 -1.915 1
1 380 . 16 1 1 A 44 44 VAL C C 44 175.533 176.977 -1.444 1
1 381 . 16 1 1 A 44 44 VAL HA H 44 3.868 4.037 -0.169 1
1 389 . 16 1 1 A 45 45 GLY H H 45 8.807 8.997 -0.190 1
1 390 . 16 1 1 A 45 45 GLY N N 45 115.545 115.207 0.338 1
1 391 . 16 1 1 A 45 45 GLY CA C 45 43.553 46.760 -3.207 1
1 392 . 16 1 1 A 45 45 GLY C C 45 170.948 173.656 -2.708 1
1 393 . 16 1 1 A 45 45 GLY HA3 H 45 4.296 3.945 0.351 1
1 394 . 16 1 1 A 45 45 GLY HA2 H 45 3.995 3.939 0.056 1
1 395 . 16 1 1 A 46 46 GLU H H 46 7.985 7.832 0.153 1
1 396 . 16 1 1 A 46 46 GLU N N 46 121.200 116.300 4.900 1
1 397 . 16 1 1 A 46 46 GLU CA C 46 52.751 54.914 -2.163 1
1 398 . 16 1 1 A 46 46 GLU CB C 46 29.432 32.106 -2.674 1
1 399 . 16 1 1 A 46 46 GLU C C 46 173.583 175.370 -1.787 1
1 400 . 16 1 1 A 46 46 GLU HA H 46 5.442 5.079 0.363 1
1 405 . 16 1 1 A 47 47 VAL H H 47 9.560 8.980 0.580 1
1 406 . 16 1 1 A 47 47 VAL N N 47 116.400 119.900 -3.500 1
1 407 . 16 1 1 A 47 47 VAL CA C 47 56.846 60.072 -3.226 1
1 408 . 16 1 1 A 47 47 VAL CB C 47 33.714 34.402 -0.688 1
1 409 . 16 1 1 A 47 47 VAL C C 47 172.960 173.736 -0.776 1
1 410 . 16 1 1 A 47 47 VAL HA H 47 5.505 5.059 0.446 1
1 418 . 16 1 1 A 48 48 TYR H H 48 8.415 8.569 -0.154 1
1 419 . 16 1 1 A 48 48 TYR N N 48 117.400 126.226 -8.826 1
1 420 . 16 1 1 A 48 48 TYR CA C 48 54.331 55.990 -1.659 1
1 421 . 16 1 1 A 48 48 TYR CB C 48 39.296 42.051 -2.755 1
1 422 . 16 1 1 A 48 48 TYR C C 48 173.423 173.687 -0.264 1
1 423 . 16 1 1 A 48 48 TYR HA H 48 5.290 5.188 0.102 1
1 426 . 16 1 1 A 49 49 ILE H H 49 10.532 7.913 2.619 1
1 427 . 16 1 1 A 49 49 ILE N N 49 123.100 126.787 -3.687 1
1 428 . 16 1 1 A 49 49 ILE CA C 49 59.573 59.996 -0.423 1
1 429 . 16 1 1 A 49 49 ILE CB C 49 40.504 38.949 1.555 1
1 430 . 16 1 1 A 49 49 ILE C C 49 170.853 175.047 -4.194 1
1 431 . 16 1 1 A 49 49 ILE HA H 49 4.341 4.672 -0.331 1
1 438 . 16 1 1 A 50 50 LYS H H 50 8.511 9.026 -0.515 1
1 439 . 16 1 1 A 50 50 LYS N N 50 125.800 127.765 -1.965 1
1 440 . 16 1 1 A 50 50 LYS CA C 50 51.179 54.330 -3.151 1
1 441 . 16 1 1 A 50 50 LYS CB C 50 34.816 35.507 -0.691 1
1 442 . 16 1 1 A 50 50 LYS C C 50 173.759 175.933 -2.174 1
1 443 . 16 1 1 A 50 50 LYS HA H 50 4.991 4.891 0.100 1
1 451 . 16 1 1 A 51 51 SER H H 51 8.920 9.004 -0.084 1
1 452 . 16 1 1 A 51 51 SER N N 51 117.579 120.150 -2.571 1
1 453 . 16 1 1 A 51 51 SER CA C 51 55.043 59.403 -4.360 1
1 454 . 16 1 1 A 51 51 SER CB C 51 61.065 63.604 -2.539 1
1 455 . 16 1 1 A 51 51 SER C C 51 175.084 173.991 1.093 1
1 456 . 16 1 1 A 51 51 SER HA H 51 4.666 4.562 0.104 1
1 459 . 16 1 1 A 52 52 THR H H 52 8.342 8.318 0.024 1
1 460 . 16 1 1 A 52 52 THR N N 52 123.200 119.615 3.585 1
1 461 . 16 1 1 A 52 52 THR CA C 52 62.792 64.759 -1.967 1
1 462 . 16 1 1 A 52 52 THR CB C 52 65.611 69.010 -3.399 1
1 463 . 16 1 1 A 52 52 THR C C 52 173.566 176.574 -3.008 1
1 464 . 16 1 1 A 52 52 THR HA H 52 3.996 4.088 -0.092 1
1 469 . 16 1 1 A 53 53 GLU H H 53 8.312 7.962 0.350 1
1 470 . 16 1 1 A 53 53 GLU N N 53 122.000 120.740 1.260 1
1 471 . 16 1 1 A 53 53 GLU CA C 53 55.889 58.320 -2.431 1
1 472 . 16 1 1 A 53 53 GLU CB C 53 28.359 30.468 -2.109 1
1 473 . 16 1 1 A 53 53 GLU C C 53 175.327 177.711 -2.384 1
1 474 . 16 1 1 A 53 53 GLU HA H 53 4.311 4.203 0.108 1
1 477 . 16 1 1 A 54 54 THR H H 54 7.724 7.705 0.019 1
1 478 . 16 1 1 A 54 54 THR N N 54 103.100 109.399 -6.299 1
1 479 . 16 1 1 A 54 54 THR CA C 54 58.555 61.231 -2.676 1
1 480 . 16 1 1 A 54 54 THR CB C 54 69.030 69.116 -0.086 1
1 481 . 16 1 1 A 54 54 THR C C 54 173.942 175.626 -1.684 1
1 482 . 16 1 1 A 54 54 THR HA H 54 4.681 4.669 0.012 1
1 487 . 16 1 1 A 55 55 GLY H H 55 7.643 8.233 -0.590 1
1 488 . 16 1 1 A 55 55 GLY N N 55 110.700 110.994 -0.294 1
1 489 . 16 1 1 A 55 55 GLY CA C 55 43.594 45.786 -2.192 1
1 490 . 16 1 1 A 55 55 GLY HA3 H 55 4.150 3.971 0.179 1
1 491 . 16 1 1 A 55 55 GLY HA2 H 55 3.591 3.959 -0.368 1
1 492 . 16 1 1 A 55 55 GLY C C 55 170.694 173.986 -3.292 1
1 493 . 16 1 1 A 56 56 GLN H H 56 7.211 7.898 -0.687 1
1 494 . 16 1 1 A 56 56 GLN N N 56 115.700 115.737 -0.037 1
1 495 . 16 1 1 A 56 56 GLN CA C 56 53.898 55.033 -1.135 1
1 496 . 16 1 1 A 56 56 GLN CB C 56 30.456 32.451 -1.995 1
1 497 . 16 1 1 A 56 56 GLN C C 56 172.141 173.503 -1.362 1
1 498 . 16 1 1 A 56 56 GLN HA H 56 4.311 4.637 -0.326 1
1 504 . 16 1 1 A 57 57 TYR H H 57 9.254 8.955 0.299 1
1 505 . 16 1 1 A 57 57 TYR N N 57 119.400 124.248 -4.848 1
1 506 . 16 1 1 A 57 57 TYR CA C 57 53.356 56.000 -2.644 1
1 507 . 16 1 1 A 57 57 TYR CB C 57 40.466 37.654 2.812 1
1 508 . 16 1 1 A 57 57 TYR C C 57 173.320 174.107 -0.787 1
1 509 . 16 1 1 A 57 57 TYR HA H 57 4.128 6.817 -2.689 1
1 512 . 16 1 1 A 58 58 LEU H H 58 9.126 8.569 0.557 1
1 513 . 16 1 1 A 58 58 LEU N N 58 123.600 127.923 -4.323 1
1 514 . 16 1 1 A 58 58 LEU CA C 58 53.256 55.280 -2.024 1
1 515 . 16 1 1 A 58 58 LEU CB C 58 40.466 41.967 -1.501 1
1 516 . 16 1 1 A 58 58 LEU C C 58 172.320 174.994 -2.674 1
1 517 . 16 1 1 A 58 58 LEU HA H 58 4.128 4.439 -0.311 1
1 524 . 16 1 1 A 59 59 ALA H H 59 8.656 8.156 0.500 1
1 525 . 16 1 1 A 59 59 ALA N N 59 126.947 128.922 -1.975 1
1 526 . 16 1 1 A 59 59 ALA CA C 59 48.450 50.534 -2.084 1
1 527 . 16 1 1 A 59 59 ALA CB C 59 21.261 20.042 1.219 1
1 528 . 16 1 1 A 59 59 ALA C C 59 172.722 175.315 -2.593 1
1 529 . 16 1 1 A 59 59 ALA HA H 59 5.124 4.623 0.501 1
1 533 . 16 1 1 A 60 60 MET H H 60 7.521 8.553 -1.032 1
1 534 . 16 1 1 A 60 60 MET N N 60 116.602 122.790 -6.188 1
1 535 . 16 1 1 A 60 60 MET CA C 60 52.251 53.815 -1.564 1
1 536 . 16 1 1 A 60 60 MET CB C 60 35.046 32.672 2.374 1
1 537 . 16 1 1 A 60 60 MET C C 60 173.753 174.647 -0.894 1
1 538 . 16 1 1 A 60 60 MET HA H 60 5.527 4.877 0.650 1
1 543 . 16 1 1 A 61 61 ASP H H 61 9.159 8.581 0.578 1
1 544 . 16 1 1 A 61 61 ASP N N 61 128.445 124.855 3.590 1
1 545 . 16 1 1 A 61 61 ASP CA C 61 51.480 52.990 -1.510 1
1 546 . 16 1 1 A 61 61 ASP CB C 61 39.346 42.983 -3.637 1
1 547 . 16 1 1 A 61 61 ASP C C 61 175.800 175.918 -0.118 1
1 548 . 16 1 1 A 61 61 ASP HA H 61 5.046 5.148 -0.102 1
1 551 . 16 1 1 A 62 62 THR H H 62 7.972 9.591 -1.619 1
1 552 . 16 1 1 A 62 62 THR N N 62 107.806 119.981 -12.175 1
1 553 . 16 1 1 A 62 62 THR CA C 62 62.626 64.997 -2.371 1
1 554 . 16 1 1 A 62 62 THR CB C 62 66.955 67.254 -0.299 1
1 555 . 16 1 1 A 62 62 THR C C 62 172.355 174.272 -1.917 1
1 556 . 16 1 1 A 62 62 THR HA H 62 4.134 4.112 0.022 1
1 561 . 16 1 1 A 63 63 ASP H H 63 8.333 8.706 -0.373 1
1 562 . 16 1 1 A 63 63 ASP N N 63 119.831 120.361 -0.530 1
1 563 . 16 1 1 A 63 63 ASP CA C 63 51.865 55.942 -4.077 1
1 564 . 16 1 1 A 63 63 ASP CB C 63 39.182 41.131 -1.949 1
1 565 . 16 1 1 A 63 63 ASP C C 63 174.438 177.327 -2.889 1
1 566 . 16 1 1 A 63 63 ASP HA H 63 4.964 4.536 0.428 1
1 569 . 16 1 1 A 64 64 GLY H H 64 8.264 8.106 0.158 1
1 570 . 16 1 1 A 64 64 GLY N N 64 109.142 107.417 1.725 1
1 571 . 16 1 1 A 64 64 GLY CA C 64 42.923 46.100 -3.177 1
1 572 . 16 1 1 A 64 64 GLY C C 64 171.248 173.683 -2.435 1
1 573 . 16 1 1 A 64 64 GLY HA3 H 64 3.652 4.023 -0.371 1
1 574 . 16 1 1 A 64 64 GLY HA2 H 64 3.397 3.766 -0.369 1
1 575 . 16 1 1 A 65 65 LEU H H 65 8.636 7.330 1.306 1
1 576 . 16 1 1 A 65 65 LEU N N 65 123.137 118.931 4.206 1
1 577 . 16 1 1 A 65 65 LEU CA C 65 52.224 53.306 -1.082 1
1 578 . 16 1 1 A 65 65 LEU CB C 65 40.557 44.499 -3.942 1
1 579 . 16 1 1 A 65 65 LEU C C 65 174.507 175.659 -1.152 1
1 580 . 16 1 1 A 65 65 LEU HA H 65 4.529 4.869 -0.340 1
1 590 . 16 1 1 A 66 66 LEU H H 66 7.431 9.038 -1.607 1
1 591 . 16 1 1 A 66 66 LEU N N 66 124.493 124.017 0.476 1
1 592 . 16 1 1 A 66 66 LEU CA C 66 51.635 53.657 -2.022 1
1 593 . 16 1 1 A 66 66 LEU CB C 66 40.474 42.636 -2.162 1
1 594 . 16 1 1 A 66 66 LEU C C 66 174.070 175.693 -1.623 1
1 595 . 16 1 1 A 66 66 LEU HA H 66 5.714 4.960 0.754 1
1 605 . 16 1 1 A 67 67 TYR H H 67 9.237 8.590 0.647 1
1 606 . 16 1 1 A 67 67 TYR N N 67 120.360 122.878 -2.518 1
1 607 . 16 1 1 A 67 67 TYR CA C 67 54.076 55.000 -0.924 1
1 608 . 16 1 1 A 67 67 TYR CB C 67 38.903 42.193 -3.290 1
1 609 . 16 1 1 A 67 67 TYR C C 67 169.640 174.228 -4.588 1
1 610 . 16 1 1 A 67 67 TYR HA H 67 5.023 5.931 -0.908 1
1 612 . 16 1 1 A 68 68 GLY H H 68 8.928 8.524 0.404 1
1 613 . 16 1 1 A 68 68 GLY N N 68 105.646 106.584 -0.938 1
1 614 . 16 1 1 A 68 68 GLY CA C 68 41.569 45.801 -4.232 1
1 615 . 16 1 1 A 68 68 GLY C C 68 170.551 173.866 -3.315 1
1 616 . 16 1 1 A 68 68 GLY HA2 H 68 4.676 4.224 0.452 1
1 617 . 16 1 1 A 69 69 SER H H 69 9.608 9.374 0.234 1
1 618 . 16 1 1 A 69 69 SER N N 69 120.100 119.341 0.759 1
1 619 . 16 1 1 A 69 69 SER CA C 69 53.737 59.406 -5.669 1
1 620 . 16 1 1 A 69 69 SER CB C 69 63.042 65.704 -2.662 1
1 621 . 16 1 1 A 69 69 SER C C 69 174.219 175.273 -1.054 1
1 622 . 16 1 1 A 69 69 SER HA H 69 4.966 4.814 0.152 1
1 625 . 16 1 1 A 70 70 GLN H H 70 9.343 8.482 0.861 1
1 626 . 16 1 1 A 70 70 GLN N N 70 127.339 118.326 9.013 1
1 627 . 16 1 1 A 70 70 GLN CA C 70 56.139 57.941 -1.802 1
1 628 . 16 1 1 A 70 70 GLN CB C 70 27.092 30.253 -3.161 1
1 629 . 16 1 1 A 70 70 GLN C C 70 173.241 176.315 -3.074 1
1 630 . 16 1 1 A 70 70 GLN HA H 70 4.286 4.385 -0.099 1
1 638 . 16 1 1 A 71 71 THR H H 71 7.532 7.975 -0.443 1
1 639 . 16 1 1 A 71 71 THR N N 71 108.100 111.923 -3.823 1
1 640 . 16 1 1 A 71 71 THR CA C 71 55.203 59.480 -4.277 1
1 641 . 16 1 1 A 71 71 THR HA H 71 4.780 5.058 -0.278 1
1 643 . 16 1 1 A 72 72 PRO CA C 72 60.050 62.112 -2.062 1
1 644 . 16 1 1 A 72 72 PRO CB C 72 26.678 31.007 -4.329 1
1 645 . 16 1 1 A 72 72 PRO C C 72 172.920 176.262 -3.342 1
1 646 . 16 1 1 A 72 72 PRO HA H 72 4.173 4.883 -0.710 1
1 649 . 16 1 1 A 73 73 ASN H H 73 7.321 8.751 -1.430 1
1 650 . 16 1 1 A 73 73 ASN N N 73 119.200 121.542 -2.342 1
1 651 . 16 1 1 A 73 73 ASN CA C 73 49.994 52.302 -2.308 1
1 652 . 16 1 1 A 74 74 GLU H H 74 9.030 8.497 0.533 1
1 653 . 16 1 1 A 74 74 GLU CA C 74 57.131 55.472 1.659 1
1 654 . 16 1 1 A 74 74 GLU CB C 74 27.005 30.618 -3.613 1
1 655 . 16 1 1 A 74 74 GLU C C 74 176.352 176.206 0.146 1
1 656 . 16 1 1 A 74 74 GLU HA H 74 4.130 4.552 -0.422 1
1 661 . 16 1 1 A 75 75 GLU H H 75 8.574 8.592 -0.018 1
1 662 . 16 1 1 A 75 75 GLU N N 75 119.200 122.502 -3.302 1
1 663 . 16 1 1 A 75 75 GLU CA C 75 56.343 56.304 0.039 1
1 664 . 16 1 1 A 75 75 GLU CB C 75 26.028 31.548 -5.520 1
1 665 . 16 1 1 A 75 75 GLU C C 75 173.866 177.265 -3.399 1
1 666 . 16 1 1 A 75 75 GLU HA H 75 4.206 4.502 -0.296 1
1 671 . 16 1 1 A 76 76 CYS H H 76 7.727 7.512 0.215 1
1 672 . 16 1 1 A 76 76 CYS N N 76 113.800 117.185 -3.385 1
1 673 . 16 1 1 A 76 76 CYS CA C 76 55.635 59.688 -4.053 1
1 674 . 16 1 1 A 76 76 CYS CB C 76 26.036 27.409 -1.373 1
1 675 . 16 1 1 A 76 76 CYS C C 76 170.849 173.932 -3.083 1
1 676 . 16 1 1 A 76 76 CYS HA H 76 5.426 3.988 1.438 1
1 679 . 16 1 1 A 77 77 LEU H H 77 6.241 6.949 -0.708 1
1 680 . 16 1 1 A 77 77 LEU N N 77 118.069 123.212 -5.143 1
1 681 . 16 1 1 A 77 77 LEU CA C 77 51.793 54.045 -2.252 1
1 682 . 16 1 1 A 77 77 LEU CB C 77 42.123 43.186 -1.063 1
1 683 . 16 1 1 A 77 77 LEU C C 77 173.882 175.287 -1.405 1
1 684 . 16 1 1 A 77 77 LEU HA H 77 4.555 3.732 0.823 1
1 694 . 16 1 1 A 78 78 PHE H H 78 9.067 8.422 0.645 1
1 695 . 16 1 1 A 78 78 PHE N N 78 122.377 123.906 -1.529 1
1 696 . 16 1 1 A 78 78 PHE CA C 78 54.917 56.471 -1.554 1
1 697 . 16 1 1 A 78 78 PHE CB C 78 40.597 43.976 -3.379 1
1 698 . 16 1 1 A 78 78 PHE C C 78 171.853 174.645 -2.792 1
1 699 . 16 1 1 A 78 78 PHE HA H 78 5.169 5.092 0.077 1
1 702 . 16 1 1 A 79 79 LEU H H 79 9.958 9.253 0.705 1
1 703 . 16 1 1 A 79 79 LEU N N 79 122.126 123.173 -1.047 1
1 704 . 16 1 1 A 79 79 LEU CA C 79 51.232 54.346 -3.114 1
1 705 . 16 1 1 A 79 79 LEU CB C 79 38.511 44.522 -6.011 1
1 706 . 16 1 1 A 79 79 LEU C C 79 173.055 175.610 -2.555 1
1 707 . 16 1 1 A 79 79 LEU HA H 79 4.686 5.548 -0.862 1
1 713 . 16 1 1 A 80 80 GLU H H 80 8.347 9.083 -0.736 1
1 714 . 16 1 1 A 80 80 GLU N N 80 126.300 127.814 -1.514 1
1 715 . 16 1 1 A 80 80 GLU CA C 80 52.558 55.415 -2.857 1
1 716 . 16 1 1 A 80 80 GLU CB C 80 30.892 31.541 -0.649 1
1 717 . 16 1 1 A 80 80 GLU C C 80 173.355 175.272 -1.917 1
1 718 . 16 1 1 A 80 80 GLU HA H 80 4.832 5.122 -0.290 1
1 721 . 16 1 1 A 81 81 ARG H H 81 8.840 8.917 -0.077 1
1 722 . 16 1 1 A 81 81 ARG N N 81 129.522 128.393 1.129 1
1 723 . 16 1 1 A 81 81 ARG CA C 81 52.288 54.694 -2.406 1
1 724 . 16 1 1 A 81 81 ARG CB C 81 38.588 32.954 5.634 1
1 725 . 16 1 1 A 81 81 ARG C C 81 172.258 175.143 -2.885 1
1 726 . 16 1 1 A 81 81 ARG HA H 81 4.659 4.954 -0.295 1
1 732 . 16 1 1 A 82 82 LEU H H 82 8.347 8.800 -0.453 1
1 733 . 16 1 1 A 82 82 LEU N N 82 125.700 124.052 1.648 1
1 734 . 16 1 1 A 82 82 LEU CA C 82 52.631 53.713 -1.082 1
1 735 . 16 1 1 A 82 82 LEU CB C 82 40.304 43.092 -2.788 1
1 736 . 16 1 1 A 82 82 LEU C C 82 174.567 176.230 -1.663 1
1 737 . 16 1 1 A 82 82 LEU HA H 82 4.875 4.898 -0.023 1
1 744 . 16 1 1 A 83 83 GLU H H 83 9.064 9.132 -0.068 1
1 745 . 16 1 1 A 83 83 GLU N N 83 125.600 123.617 1.983 1
1 746 . 16 1 1 A 83 83 GLU CA C 83 51.723 55.997 -4.274 1
1 747 . 16 1 1 A 83 83 GLU CB C 83 43.703 30.494 13.209 1
1 748 . 16 1 1 A 83 83 GLU C C 83 174.885 176.834 -1.949 1
1 749 . 16 1 1 A 83 83 GLU HA H 83 4.974 4.492 0.482 1
1 752 . 16 1 1 A 84 84 GLU H H 84 8.806 9.251 -0.445 1
1 753 . 16 1 1 A 84 84 GLU N N 84 120.300 122.673 -2.373 1
1 754 . 16 1 1 A 84 84 GLU CA C 84 55.553 56.769 -1.216 1
1 755 . 16 1 1 A 84 84 GLU CB C 84 27.117 29.858 -2.741 1
1 756 . 16 1 1 A 84 84 GLU C C 84 174.261 176.703 -2.442 1
1 757 . 16 1 1 A 84 84 GLU HA H 84 4.112 4.340 -0.228 1
1 761 . 16 1 1 A 85 85 ASN H H 85 8.429 7.900 0.529 1
1 762 . 16 1 1 A 85 85 ASN N N 85 114.800 116.569 -1.769 1
1 763 . 16 1 1 A 85 85 ASN CA C 85 51.788 52.759 -0.971 1
1 764 . 16 1 1 A 85 85 ASN CB C 85 35.301 38.429 -3.128 1
1 765 . 16 1 1 A 85 85 ASN C C 85 172.203 173.692 -1.489 1
1 766 . 16 1 1 A 85 85 ASN HA H 85 4.343 4.718 -0.375 1
1 769 . 16 1 1 A 86 86 HIS H H 86 8.081 7.675 0.406 1
1 770 . 16 1 1 A 86 86 HIS N N 86 108.737 113.865 -5.128 1
1 771 . 16 1 1 A 86 86 HIS CA C 86 55.255 56.668 -1.413 1
1 772 . 16 1 1 A 86 86 HIS CB C 86 24.858 26.444 -1.586 1
1 773 . 16 1 1 A 86 86 HIS C C 86 171.039 173.367 -2.328 1
1 774 . 16 1 1 A 86 86 HIS HA H 86 4.260 4.025 0.235 1
1 777 . 16 1 1 A 87 87 TYR H H 87 7.592 7.328 0.264 1
1 778 . 16 1 1 A 87 87 TYR N N 87 117.738 117.830 -0.092 1
1 779 . 16 1 1 A 87 87 TYR CA C 87 56.163 56.646 -0.483 1
1 780 . 16 1 1 A 87 87 TYR CB C 87 38.643 42.182 -3.539 1
1 781 . 16 1 1 A 87 87 TYR C C 87 171.983 174.925 -2.942 1
1 782 . 16 1 1 A 87 87 TYR HA H 87 4.836 5.068 -0.232 1
1 784 . 16 1 1 A 88 88 ASN H H 88 9.840 9.280 0.560 1
1 785 . 16 1 1 A 88 88 ASN N N 88 118.891 120.685 -1.794 1
1 786 . 16 1 1 A 88 88 ASN CA C 88 50.063 51.983 -1.920 1
1 787 . 16 1 1 A 88 88 ASN CB C 88 40.242 41.509 -1.267 1
1 788 . 16 1 1 A 88 88 ASN C C 88 172.471 174.334 -1.863 1
1 789 . 16 1 1 A 88 88 ASN HA H 88 5.837 5.722 0.115 1
1 795 . 16 1 1 A 89 89 THR H H 89 8.380 8.906 -0.526 1
1 796 . 16 1 1 A 89 89 THR N N 89 108.521 115.885 -7.364 1
1 797 . 16 1 1 A 89 89 THR CA C 89 57.357 60.595 -3.238 1
1 798 . 16 1 1 A 89 89 THR CB C 89 70.868 72.222 -1.354 1
1 799 . 16 1 1 A 89 89 THR C C 89 170.548 172.941 -2.393 1
1 800 . 16 1 1 A 89 89 THR HA H 89 5.127 5.293 -0.166 1
1 805 . 16 1 1 A 90 90 TYR H H 90 10.247 9.311 0.936 1
1 806 . 16 1 1 A 90 90 TYR N N 90 119.000 123.422 -4.422 1
1 807 . 16 1 1 A 90 90 TYR CA C 90 55.106 56.509 -1.403 1
1 808 . 16 1 1 A 90 90 TYR CB C 90 39.047 41.496 -2.449 1
1 809 . 16 1 1 A 90 90 TYR C C 90 172.442 174.552 -2.110 1
1 810 . 16 1 1 A 90 90 TYR HA H 90 5.472 5.344 0.128 1
1 812 . 16 1 1 A 91 91 ILE H H 91 8.781 9.511 -0.730 1
1 813 . 16 1 1 A 91 91 ILE N N 91 122.546 125.361 -2.815 1
1 814 . 16 1 1 A 91 91 ILE CA C 91 56.346 59.656 -3.310 1
1 815 . 16 1 1 A 91 91 ILE CB C 91 36.627 40.520 -3.893 1
1 816 . 16 1 1 A 91 91 ILE C C 91 172.924 175.671 -2.747 1
1 817 . 16 1 1 A 91 91 ILE HA H 91 4.673 4.812 -0.139 1
1 826 . 16 1 1 A 92 92 SER H H 92 8.191 8.372 -0.181 1
1 827 . 16 1 1 A 92 92 SER N N 92 120.200 119.324 0.876 1
1 828 . 16 1 1 A 92 92 SER CA C 92 55.781 57.337 -1.556 1
1 829 . 16 1 1 A 92 92 SER CB C 92 62.382 63.688 -1.306 1
1 830 . 16 1 1 A 92 92 SER C C 92 172.863 174.931 -2.068 1
1 831 . 16 1 1 A 92 92 SER HA H 92 4.016 4.949 -0.933 1
1 833 . 16 1 1 A 93 93 LYS H H 93 7.993 9.114 -1.121 1
1 834 . 16 1 1 A 93 93 LYS N N 93 130.618 125.681 4.937 1
1 835 . 16 1 1 A 93 93 LYS CA C 93 57.942 58.412 -0.470 1
1 836 . 16 1 1 A 93 93 LYS CB C 93 30.889 32.503 -1.614 1
1 837 . 16 1 1 A 93 93 LYS C C 93 176.938 178.185 -1.247 1
1 838 . 16 1 1 A 93 93 LYS HA H 93 3.779 4.295 -0.516 1
1 844 . 16 1 1 A 94 94 LYS H H 94 8.616 7.806 0.810 1
1 845 . 16 1 1 A 94 94 LYS N N 94 120.044 118.807 1.237 1
1 846 . 16 1 1 A 94 94 LYS CA C 94 55.868 58.762 -2.894 1
1 847 . 16 1 1 A 94 94 LYS CB C 94 30.329 32.205 -1.876 1
1 848 . 16 1 1 A 94 94 LYS C C 94 174.491 178.022 -3.531 1
1 849 . 16 1 1 A 94 94 LYS HA H 94 3.851 4.054 -0.203 1
1 856 . 16 1 1 A 95 95 HIS H H 95 7.249 8.045 -0.796 1
1 857 . 16 1 1 A 95 95 HIS N N 95 114.486 115.589 -1.103 1
1 858 . 16 1 1 A 95 95 HIS CA C 95 51.180 55.255 -4.075 1
1 859 . 16 1 1 A 95 95 HIS CB C 95 26.844 29.122 -2.278 1
1 860 . 16 1 1 A 95 95 HIS C C 95 173.734 175.823 -2.089 1
1 861 . 16 1 1 A 95 95 HIS HA H 95 4.604 5.199 -0.595 1
1 864 . 16 1 1 A 96 96 ALA H H 96 7.104 8.029 -0.925 1
1 865 . 16 1 1 A 96 96 ALA N N 96 125.204 124.021 1.183 1
1 866 . 16 1 1 A 96 96 ALA CA C 96 53.758 55.425 -1.667 1
1 867 . 16 1 1 A 96 96 ALA CB C 96 16.578 18.657 -2.079 1
1 868 . 16 1 1 A 96 96 ALA C C 96 178.508 179.766 -1.258 1
1 869 . 16 1 1 A 96 96 ALA HA H 96 4.131 3.838 0.293 1
1 873 . 16 1 1 A 97 97 GLU H H 97 8.857 8.554 0.303 1
1 874 . 16 1 1 A 97 97 GLU N N 97 118.007 116.160 1.847 1
1 875 . 16 1 1 A 97 97 GLU CA C 97 56.153 58.713 -2.560 1
1 876 . 16 1 1 A 97 97 GLU CB C 97 26.241 28.363 -2.122 1
1 877 . 16 1 1 A 97 97 GLU C C 97 174.813 177.719 -2.906 1
1 878 . 16 1 1 A 97 97 GLU HA H 97 4.063 4.087 -0.024 1
1 882 . 16 1 1 A 98 98 LYS H H 98 7.116 7.561 -0.445 1
1 883 . 16 1 1 A 98 98 LYS N N 98 116.241 119.731 -3.490 1
1 884 . 16 1 1 A 98 98 LYS CA C 98 52.852 56.255 -3.403 1
1 885 . 16 1 1 A 98 98 LYS CB C 98 29.959 33.061 -3.102 1
1 886 . 16 1 1 A 98 98 LYS C C 98 173.361 176.157 -2.796 1
1 887 . 16 1 1 A 98 98 LYS HA H 98 4.280 4.442 -0.162 1
1 893 . 16 1 1 A 99 99 ASN H H 99 7.842 8.069 -0.227 1
1 894 . 16 1 1 A 99 99 ASN N N 99 113.000 115.136 -2.136 1
1 895 . 16 1 1 A 99 99 ASN CA C 99 52.240 54.849 -2.609 1
1 896 . 16 1 1 A 99 99 ASN CB C 99 35.289 37.066 -1.777 1
1 897 . 16 1 1 A 99 99 ASN C C 99 170.506 174.431 -3.925 1
1 898 . 16 1 1 A 99 99 ASN HA H 99 3.772 4.382 -0.610 1
1 904 . 16 1 1 A 100 100 TRP H H 100 6.369 7.814 -1.445 1
1 905 . 16 1 1 A 100 100 TRP N N 100 116.000 119.744 -3.744 1
1 906 . 16 1 1 A 100 100 TRP CA C 100 53.179 57.541 -4.362 1
1 907 . 16 1 1 A 100 100 TRP CB C 100 28.228 30.593 -2.365 1
1 908 . 16 1 1 A 100 100 TRP C C 100 171.701 175.947 -4.246 1
1 909 . 16 1 1 A 100 100 TRP HA H 100 4.816 4.663 0.153 1
1 912 . 16 1 1 A 101 101 PHE H H 101 8.026 8.800 -0.774 1
1 913 . 16 1 1 A 101 101 PHE N N 101 124.185 119.979 4.206 1
1 914 . 16 1 1 A 101 101 PHE CA C 101 55.472 56.353 -0.881 1
1 915 . 16 1 1 A 101 101 PHE CB C 101 39.220 42.242 -3.022 1
1 916 . 16 1 1 A 101 101 PHE C C 101 175.044 175.634 -0.590 1
1 917 . 16 1 1 A 101 101 PHE HA H 101 5.373 5.161 0.212 1
1 920 . 16 1 1 A 102 102 VAL H H 102 8.499 8.706 -0.207 1
1 921 . 16 1 1 A 102 102 VAL N N 102 120.282 123.080 -2.798 1
1 922 . 16 1 1 A 102 102 VAL CA C 102 60.975 61.893 -0.918 1
1 923 . 16 1 1 A 102 102 VAL CB C 102 30.243 31.335 -1.092 1
1 924 . 16 1 1 A 102 102 VAL C C 102 174.220 175.593 -1.373 1
1 925 . 16 1 1 A 102 102 VAL HA H 102 3.939 4.356 -0.417 1
1 930 . 16 1 1 A 103 103 GLY H H 103 8.996 8.806 0.190 1
1 931 . 16 1 1 A 103 103 GLY N N 103 114.668 115.850 -1.182 1
1 932 . 16 1 1 A 103 103 GLY CA C 103 43.802 44.639 -0.837 1
1 933 . 16 1 1 A 103 103 GLY C C 103 169.388 172.720 -3.332 1
1 934 . 16 1 1 A 103 103 GLY HA2 H 103 5.275 4.309 0.966 1
1 935 . 16 1 1 A 103 103 GLY HA3 H 103 3.180 4.552 -1.372 1
1 936 . 16 1 1 A 104 104 LEU H H 104 8.118 8.910 -0.792 1
1 937 . 16 1 1 A 104 104 LEU N N 104 119.100 124.406 -5.306 1
1 938 . 16 1 1 A 104 104 LEU CA C 104 51.207 53.777 -2.570 1
1 939 . 16 1 1 A 104 104 LEU CB C 104 43.579 45.838 -2.259 1
1 940 . 16 1 1 A 104 104 LEU C C 104 174.252 174.561 -0.309 1
1 941 . 16 1 1 A 104 104 LEU HA H 104 4.959 5.055 -0.096 1
1 950 . 16 1 1 A 105 105 LYS H H 105 8.847 8.323 0.524 1
1 951 . 16 1 1 A 105 105 LYS N N 105 118.900 127.996 -9.096 1
1 952 . 16 1 1 A 105 105 LYS CA C 105 54.035 55.306 -1.271 1
1 953 . 16 1 1 A 105 105 LYS C C 105 176.404 176.664 -0.260 1
1 954 . 16 1 1 A 105 105 LYS HA H 105 4.215 4.577 -0.362 1
1 960 . 16 1 1 A 106 106 LYS H H 106 8.980 8.238 0.742 1
1 961 . 16 1 1 A 106 106 LYS N N 106 122.172 124.805 -2.633 1
1 962 . 16 1 1 A 106 106 LYS CA C 106 57.672 58.825 -1.153 1
1 963 . 16 1 1 A 106 106 LYS CB C 106 29.780 31.896 -2.116 1
1 964 . 16 1 1 A 106 106 LYS C C 106 174.499 178.825 -4.326 1
1 965 . 16 1 1 A 106 106 LYS HA H 106 3.624 4.032 -0.408 1
1 970 . 16 1 1 A 107 107 ASN H H 107 7.352 7.911 -0.559 1
1 971 . 16 1 1 A 107 107 ASN N N 107 112.743 118.383 -5.640 1
1 972 . 16 1 1 A 107 107 ASN CA C 107 49.523 55.020 -5.497 1
1 973 . 16 1 1 A 107 107 ASN CB C 107 35.121 38.134 -3.013 1
1 974 . 16 1 1 A 107 107 ASN C C 107 174.511 176.680 -2.169 1
1 975 . 16 1 1 A 107 107 ASN HA H 107 4.678 4.407 0.271 1
1 978 . 16 1 1 A 108 108 GLY H H 108 7.656 7.837 -0.181 1
1 979 . 16 1 1 A 108 108 GLY N N 108 109.900 107.606 2.294 1
1 980 . 16 1 1 A 108 108 GLY CA C 108 42.207 45.707 -3.500 1
1 981 . 16 1 1 A 108 108 GLY C C 108 169.305 173.600 -4.295 1
1 982 . 16 1 1 A 108 108 GLY HA3 H 108 3.358 3.977 -0.619 1
1 983 . 16 1 1 A 108 108 GLY HA2 H 108 2.111 3.899 -1.788 1
1 984 . 16 1 1 A 109 109 SER H H 109 7.280 7.596 -0.316 1
1 985 . 16 1 1 A 109 109 SER N N 109 112.357 112.441 -0.084 1
1 986 . 16 1 1 A 109 109 SER CA C 109 55.139 57.285 -2.146 1
1 987 . 16 1 1 A 109 109 SER CB C 109 62.749 64.496 -1.747 1
1 988 . 16 1 1 A 109 109 SER C C 109 171.244 172.638 -1.394 1
1 989 . 16 1 1 A 109 109 SER HA H 109 4.755 4.675 0.080 1
1 992 . 16 1 1 A 110 110 CYS H H 110 9.070 8.243 0.827 1
1 993 . 16 1 1 A 110 110 CYS N N 110 119.883 123.003 -3.120 1
1 994 . 16 1 1 A 110 110 CYS CA C 110 57.858 57.871 -0.013 1
1 995 . 16 1 1 A 110 110 CYS CB C 110 37.322 28.788 8.534 1
1 996 . 16 1 1 A 110 110 CYS C C 110 172.131 174.020 -1.889 1
1 997 . 16 1 1 A 110 110 CYS HA H 110 4.296 5.059 -0.763 1
1 1000 . 16 1 1 A 111 111 LYS H H 111 8.095 8.925 -0.830 1
1 1001 . 16 1 1 A 111 111 LYS N N 111 128.642 123.531 5.111 1
1 1002 . 16 1 1 A 111 111 LYS CA C 111 52.117 54.925 -2.808 1
1 1003 . 16 1 1 A 111 111 LYS CB C 111 30.980 34.405 -3.425 1
1 1004 . 16 1 1 A 111 111 LYS C C 111 172.265 175.193 -2.928 1
1 1005 . 16 1 1 A 111 111 LYS HA H 111 4.380 5.071 -0.691 1
1 1010 . 16 1 1 A 112 112 ARG H H 112 8.566 8.395 0.171 1
1 1011 . 16 1 1 A 112 112 ARG N N 112 124.700 124.739 -0.039 1
1 1012 . 16 1 1 A 112 112 ARG CA C 112 54.295 54.687 -0.392 1
1 1013 . 16 1 1 A 112 112 ARG CB C 112 28.927 31.333 -2.406 1
1 1014 . 16 1 1 A 112 112 ARG C C 112 175.240 175.874 -0.634 1
1 1015 . 16 1 1 A 112 112 ARG HA H 112 4.252 4.662 -0.410 1
1 1021 . 16 1 1 A 113 113 GLY H H 113 9.408 8.517 0.891 1
1 1022 . 16 1 1 A 113 113 GLY N N 113 106.636 112.100 -5.464 1
1 1023 . 16 1 1 A 113 113 GLY CA C 113 44.552 46.590 -2.038 1
1 1024 . 16 1 1 A 113 113 GLY C C 113 169.610 174.101 -4.491 1
1 1025 . 16 1 1 A 113 113 GLY HA2 H 113 1.510 2.995 -1.485 1
1 1026 . 16 1 1 A 114 114 PRO CA C 114 62.529 65.039 -2.510 1
1 1027 . 16 1 1 A 114 114 PRO C C 114 174.543 177.343 -2.800 1
1 1028 . 16 1 1 A 114 114 PRO HA H 114 4.321 4.277 0.044 1
1 1033 . 16 1 1 A 115 115 ARG H H 115 8.067 8.028 0.039 1
1 1034 . 16 1 1 A 115 115 ARG N N 115 114.500 116.749 -2.249 1
1 1035 . 16 1 1 A 115 115 ARG CA C 115 52.011 56.480 -4.469 1
1 1036 . 16 1 1 A 115 115 ARG CB C 115 27.143 31.158 -4.015 1
1 1037 . 16 1 1 A 115 115 ARG C C 115 174.680 175.923 -1.243 1
1 1038 . 16 1 1 A 115 115 ARG HA H 115 4.508 4.357 0.151 1
1 1043 . 16 1 1 A 116 116 THR H H 116 7.643 7.077 0.566 1
1 1044 . 16 1 1 A 116 116 THR N N 116 111.716 111.336 0.380 1
1 1045 . 16 1 1 A 116 116 THR CA C 116 58.712 61.752 -3.040 1
1 1046 . 16 1 1 A 116 116 THR CB C 116 70.086 69.007 1.079 1
1 1047 . 16 1 1 A 116 116 THR C C 116 172.573 173.963 -1.390 1
1 1048 . 16 1 1 A 116 116 THR HA H 116 5.198 4.145 1.053 1
1 1053 . 16 1 1 A 117 117 HIS H H 117 7.091 8.360 -1.269 1
1 1054 . 16 1 1 A 117 117 HIS N N 117 112.914 121.140 -8.226 1
1 1055 . 16 1 1 A 117 117 HIS CA C 117 53.291 54.561 -1.270 1
1 1056 . 16 1 1 A 117 117 HIS CB C 117 29.133 33.480 -4.347 1
1 1057 . 16 1 1 A 117 117 HIS C C 117 170.344 172.612 -2.268 1
1 1058 . 16 1 1 A 117 117 HIS HA H 117 4.868 4.386 0.482 1
1 1061 . 16 1 1 A 118 118 TYR H H 118 9.020 8.876 0.144 1
1 1062 . 16 1 1 A 118 118 TYR N N 118 123.051 119.628 3.423 1
1 1063 . 16 1 1 A 118 118 TYR CA C 118 58.801 56.819 1.982 1
1 1064 . 16 1 1 A 118 118 TYR CB C 118 29.959 37.638 -7.679 1
1 1065 . 16 1 1 A 118 118 TYR C C 118 174.446 175.905 -1.459 1
1 1066 . 16 1 1 A 118 118 TYR HA H 118 3.897 4.482 -0.585 1
1 1069 . 16 1 1 A 119 119 GLY H H 119 7.999 8.796 -0.797 1
1 1070 . 16 1 1 A 119 119 GLY N N 119 116.885 110.093 6.792 1
1 1071 . 16 1 1 A 119 119 GLY CA C 119 42.599 45.917 -3.318 1
1 1072 . 16 1 1 A 119 119 GLY C C 119 172.439 173.566 -1.127 1
1 1073 . 16 1 1 A 119 119 GLY HA3 H 119 4.385 3.894 0.491 1
1 1074 . 16 1 1 A 119 119 GLY HA2 H 119 3.296 3.880 -0.584 1
1 1075 . 16 1 1 A 120 120 GLN H H 120 7.003 7.669 -0.666 1
1 1076 . 16 1 1 A 120 120 GLN N N 120 118.266 118.087 0.179 1
1 1077 . 16 1 1 A 120 120 GLN CA C 120 52.617 53.976 -1.359 1
1 1078 . 16 1 1 A 120 120 GLN CB C 120 27.324 32.052 -4.728 1
1 1079 . 16 1 1 A 120 120 GLN C C 120 174.995 175.601 -0.606 1
1 1080 . 16 1 1 A 120 120 GLN HA H 120 4.262 4.717 -0.455 1
1 1083 . 16 1 1 A 121 121 LYS H H 121 8.477 8.594 -0.117 1
1 1084 . 16 1 1 A 121 121 LYS N N 121 121.222 123.209 -1.987 1
1 1085 . 16 1 1 A 121 121 LYS CA C 121 56.243 56.954 -0.711 1
1 1086 . 16 1 1 A 121 121 LYS CB C 121 29.598 31.947 -2.349 1
1 1087 . 16 1 1 A 121 121 LYS C C 121 172.702 177.264 -4.562 1
1 1088 . 16 1 1 A 121 121 LYS HA H 121 3.809 4.248 -0.439 1
1 1093 . 16 1 1 A 122 122 ALA H H 122 7.526 7.727 -0.201 1
1 1094 . 16 1 1 A 122 122 ALA N N 122 116.019 121.988 -5.969 1
1 1095 . 16 1 1 A 122 122 ALA CA C 122 52.338 53.477 -1.139 1
1 1096 . 16 1 1 A 122 122 ALA CB C 122 18.675 18.247 0.428 1
1 1097 . 16 1 1 A 122 122 ALA C C 122 172.756 177.414 -4.658 1
1 1098 . 16 1 1 A 122 122 ALA HA H 122 3.947 4.137 -0.190 1
1 1102 . 16 1 1 A 123 123 ILE H H 123 5.794 6.919 -1.125 1
1 1103 . 16 1 1 A 123 123 ILE N N 123 101.200 115.491 -14.291 1
1 1104 . 16 1 1 A 123 123 ILE CA C 123 57.297 60.642 -3.345 1
1 1105 . 16 1 1 A 123 123 ILE CB C 123 35.425 37.388 -1.963 1
1 1106 . 16 1 1 A 123 123 ILE C C 123 172.790 174.357 -1.567 1
1 1107 . 16 1 1 A 123 123 ILE HA H 123 5.184 3.774 1.410 1
1 1116 . 16 1 1 A 124 124 LEU H H 124 6.716 7.206 -0.490 1
1 1117 . 16 1 1 A 124 124 LEU N N 124 121.554 122.484 -0.930 1
1 1118 . 16 1 1 A 124 124 LEU CA C 124 51.686 52.852 -1.166 1
1 1119 . 16 1 1 A 124 124 LEU CB C 124 39.622 41.447 -1.825 1
1 1120 . 16 1 1 A 124 124 LEU C C 124 173.411 175.390 -1.979 1
1 1121 . 16 1 1 A 124 124 LEU HA H 124 4.597 4.154 0.443 1
1 1130 . 16 1 1 A 125 125 PHE H H 125 9.226 8.480 0.746 1
1 1131 . 16 1 1 A 125 125 PHE N N 125 121.900 123.173 -1.273 1
1 1132 . 16 1 1 A 125 125 PHE CA C 125 54.604 56.172 -1.568 1
1 1133 . 16 1 1 A 125 125 PHE CB C 125 41.692 43.429 -1.737 1
1 1134 . 16 1 1 A 125 125 PHE C C 125 172.768 175.116 -2.348 1
1 1135 . 16 1 1 A 125 125 PHE HA H 125 5.612 5.349 0.263 1
1 1138 . 16 1 1 A 126 126 LEU H H 126 9.932 9.324 0.608 1
1 1139 . 16 1 1 A 126 126 LEU N N 126 125.427 121.602 3.825 1
1 1140 . 16 1 1 A 126 126 LEU CA C 126 48.875 51.251 -2.376 1
1 1141 . 16 1 1 A 127 127 PRO CA C 127 58.907 62.187 -3.280 1
1 1142 . 16 1 1 A 127 127 PRO CB C 127 28.730 31.782 -3.052 1
1 1143 . 16 1 1 A 127 127 PRO C C 127 174.541 176.105 -1.564 1
1 1144 . 16 1 1 A 127 127 PRO HA H 127 5.587 5.107 0.480 1
1 1147 . 16 1 1 A 128 128 LEU H H 128 9.674 8.289 1.385 1
1 1148 . 16 1 1 A 128 128 LEU N N 128 129.196 125.230 3.966 1
1 1149 . 16 1 1 A 128 128 LEU CA C 128 49.523 52.036 -2.513 1
1 1150 . 16 1 1 A 128 128 LEU C C 128 175.960 175.088 0.872 1
1 1151 . 16 1 1 A 129 129 PRO CA C 129 60.043 62.191 -2.148 1
1 1152 . 16 1 1 A 129 129 PRO CB C 129 29.800 32.418 -2.618 1
1 1153 . 16 1 1 A 129 129 PRO C C 129 174.414 176.572 -2.158 1
1 1154 . 16 1 1 A 129 129 PRO HA H 129 4.710 4.624 0.086 1
1 1160 . 16 1 1 A 130 130 VAL H H 130 7.992 8.244 -0.252 1
1 1161 . 16 1 1 A 130 130 VAL N N 130 118.275 122.148 -3.873 1
1 1162 . 16 1 1 A 130 130 VAL CA C 130 61.494 62.660 -1.166 1
1 1163 . 16 1 1 A 130 130 VAL CB C 130 29.649 32.869 -3.220 1
1 1164 . 16 1 1 A 130 130 VAL C C 130 174.097 176.315 -2.218 1
1 1165 . 16 1 1 A 130 130 VAL HA H 130 3.794 4.068 -0.274 1
1 1173 . 16 1 1 A 131 131 SER H H 131 7.844 8.667 -0.823 1
1 1174 . 16 1 1 A 131 131 SER N N 131 115.853 125.300 -9.447 1
1 1175 . 16 1 1 A 131 131 SER CA C 131 55.233 58.309 -3.076 1
1 1176 . 16 1 1 A 131 131 SER CB C 131 61.375 64.346 -2.971 1
1 1177 . 16 1 1 A 131 131 SER C C 131 173.574 173.904 -0.330 1
1 1178 . 16 1 1 A 131 131 SER HA H 131 4.218 4.844 -0.626 1
1 1181 . 16 1 1 A 132 132 SER H H 132 8.196 8.835 -0.639 1
1 1182 . 16 1 1 A 132 132 SER N N 132 118.100 120.939 -2.839 1
1 1183 . 16 1 1 A 132 132 SER CA C 132 56.021 58.642 -2.621 1
1 1184 . 16 1 1 A 132 132 SER CB C 132 61.848 63.867 -2.019 1
1 1185 . 16 1 1 A 132 132 SER C C 132 170.997 173.556 -2.559 1
1 1186 . 16 1 1 A 132 132 SER HA H 132 4.484 4.865 -0.381 1
1 12 . 17 1 1 A 2 2 LYS H H 2 7.955 7.950 0.005 1
1 13 . 17 1 1 A 2 2 LYS N N 2 120.000 117.794 2.206 1
1 14 . 17 1 1 A 2 2 LYS CA C 2 51.913 54.611 -2.698 1
1 15 . 17 1 1 A 2 2 LYS C C 2 174.300 177.318 -3.018 1
1 16 . 17 1 1 A 2 2 LYS HA H 2 4.270 4.731 -0.461 1
1 18 . 17 1 1 A 3 3 LYS H H 3 7.960 8.831 -0.871 1
1 19 . 17 1 1 A 3 3 LYS N N 3 119.640 122.487 -2.847 1
1 20 . 17 1 1 A 3 3 LYS CA C 3 51.900 60.858 -8.958 1
1 21 . 17 1 1 A 3 3 LYS HA H 3 4.600 4.191 0.409 1
1 24 . 17 1 1 A 4 4 PRO CA C 4 60.687 63.316 -2.629 1
1 25 . 17 1 1 A 4 4 PRO C C 4 172.359 177.022 -4.663 1
1 26 . 17 1 1 A 4 4 PRO CB C 4 30.627 31.957 -1.330 1
1 27 . 17 1 1 A 4 4 PRO HA H 4 4.716 4.445 0.271 1
1 29 . 17 1 1 A 5 5 LYS H H 5 9.357 8.772 0.585 1
1 30 . 17 1 1 A 5 5 LYS N N 5 119.100 121.148 -2.048 1
1 31 . 17 1 1 A 5 5 LYS CA C 5 51.445 55.296 -3.851 1
1 32 . 17 1 1 A 5 5 LYS CB C 5 34.945 33.965 0.980 1
1 33 . 17 1 1 A 5 5 LYS C C 5 171.776 175.797 -4.021 1
1 34 . 17 1 1 A 5 5 LYS HA H 5 5.062 4.673 0.389 1
1 37 . 17 1 1 A 6 6 LEU H H 6 8.944 8.765 0.179 1
1 38 . 17 1 1 A 6 6 LEU N N 6 117.400 123.181 -5.781 1
1 39 . 17 1 1 A 6 6 LEU CA C 6 50.259 53.678 -3.419 1
1 40 . 17 1 1 A 6 6 LEU CB C 6 41.472 44.520 -3.048 1
1 41 . 17 1 1 A 6 6 LEU C C 6 174.676 175.951 -1.275 1
1 42 . 17 1 1 A 6 6 LEU HA H 6 4.984 4.856 0.128 1
1 51 . 17 1 1 A 7 7 LEU H H 7 10.297 8.233 2.064 1
1 52 . 17 1 1 A 7 7 LEU N N 7 125.000 125.959 -0.959 1
1 53 . 17 1 1 A 7 7 LEU CA C 7 53.596 54.259 -0.663 1
1 54 . 17 1 1 A 7 7 LEU C C 7 172.290 175.518 -3.228 1
1 55 . 17 1 1 A 7 7 LEU HA H 7 5.083 4.157 0.926 1
1 65 . 17 1 1 A 8 8 TYR H H 8 8.483 7.840 0.643 1
1 66 . 17 1 1 A 8 8 TYR N N 8 125.000 126.250 -1.250 1
1 67 . 17 1 1 A 8 8 TYR CA C 8 54.761 57.168 -2.407 1
1 68 . 17 1 1 A 8 8 TYR CB C 8 37.988 39.486 -1.498 1
1 69 . 17 1 1 A 8 8 TYR C C 8 171.270 175.547 -4.277 1
1 70 . 17 1 1 A 8 8 TYR HA H 8 4.592 5.567 -0.975 1
1 73 . 17 1 1 A 9 9 CYS H H 9 9.235 8.927 0.308 1
1 74 . 17 1 1 A 9 9 CYS N N 9 130.104 122.818 7.286 1
1 75 . 17 1 1 A 9 9 CYS CA C 9 55.588 58.812 -3.224 1
1 76 . 17 1 1 A 9 9 CYS CB C 9 26.864 28.518 -1.654 1
1 77 . 17 1 1 A 9 9 CYS C C 9 172.619 175.059 -2.440 1
1 78 . 17 1 1 A 9 9 CYS HA H 9 4.163 4.974 -0.811 1
1 82 . 17 1 1 A 10 10 SER H H 10 8.173 8.703 -0.530 1
1 83 . 17 1 1 A 10 10 SER N N 10 122.600 120.926 1.674 1
1 84 . 17 1 1 A 10 10 SER CA C 10 57.853 57.799 0.054 1
1 85 . 17 1 1 A 10 10 SER CB C 10 61.820 63.985 -2.165 1
1 86 . 17 1 1 A 10 10 SER C C 10 172.210 173.941 -1.731 1
1 87 . 17 1 1 A 10 10 SER HA H 10 3.920 4.600 -0.680 1
1 89 . 17 1 1 A 11 11 ASN H H 11 7.450 8.562 -1.112 1
1 90 . 17 1 1 A 11 11 ASN N N 11 119.550 123.624 -4.074 1
1 91 . 17 1 1 A 11 11 ASN CA C 11 52.430 52.810 -0.380 1
1 92 . 17 1 1 A 11 11 ASN HA H 11 4.360 4.771 -0.411 1
1 94 . 17 1 1 A 12 12 GLY C C 12 171.806 175.251 -3.445 1
1 95 . 17 1 1 A 12 12 GLY CA C 12 41.915 45.565 -3.650 1
1 96 . 17 1 1 A 12 12 GLY HA3 H 12 3.927 4.158 -0.231 1
1 97 . 17 1 1 A 12 12 GLY H H 12 7.096 8.354 -1.258 1
1 98 . 17 1 1 A 12 12 GLY N N 12 109.300 113.389 -4.089 1
1 99 . 17 1 1 A 13 13 GLY H H 13 7.096 8.324 -1.228 1
1 100 . 17 1 1 A 13 13 GLY N N 13 109.300 106.884 2.416 1
1 101 . 17 1 1 A 13 13 GLY CA C 13 44.272 45.749 -1.477 1
1 102 . 17 1 1 A 13 13 GLY C C 13 170.445 173.951 -3.506 1
1 103 . 17 1 1 A 13 13 GLY HA2 H 13 3.598 3.851 -0.253 1
1 104 . 17 1 1 A 13 13 GLY HA3 H 13 3.204 3.907 -0.703 1
1 105 . 17 1 1 A 14 14 HIS H H 14 6.302 7.833 -1.531 1
1 106 . 17 1 1 A 14 14 HIS N N 14 113.600 118.300 -4.700 1
1 107 . 17 1 1 A 14 14 HIS CA C 14 54.319 54.207 0.112 1
1 108 . 17 1 1 A 14 14 HIS CB C 14 31.792 33.808 -2.016 1
1 109 . 17 1 1 A 14 14 HIS C C 14 171.281 173.710 -2.429 1
1 110 . 17 1 1 A 14 14 HIS HA H 14 4.104 4.585 -0.481 1
1 113 . 17 1 1 A 15 15 PHE H H 15 9.298 8.898 0.400 1
1 114 . 17 1 1 A 15 15 PHE N N 15 120.700 118.924 1.776 1
1 115 . 17 1 1 A 15 15 PHE CA C 15 54.273 56.406 -2.133 1
1 116 . 17 1 1 A 15 15 PHE CB C 15 37.632 43.158 -5.526 1
1 117 . 17 1 1 A 15 15 PHE C C 15 173.938 174.476 -0.538 1
1 118 . 17 1 1 A 15 15 PHE HA H 15 5.390 4.946 0.444 1
1 121 . 17 1 1 A 16 16 LEU H H 16 8.480 8.663 -0.183 1
1 122 . 17 1 1 A 16 16 LEU N N 16 124.700 124.973 -0.273 1
1 123 . 17 1 1 A 16 16 LEU CA C 16 54.440 55.226 -0.786 1
1 124 . 17 1 1 A 16 16 LEU C C 16 171.758 174.995 -3.237 1
1 125 . 17 1 1 A 16 16 LEU CB C 16 41.301 42.785 -1.484 1
1 126 . 17 1 1 A 16 16 LEU HA H 16 4.394 5.840 -1.446 1
1 129 . 17 1 1 A 17 17 ARG H H 17 9.339 9.456 -0.117 1
1 130 . 17 1 1 A 17 17 ARG N N 17 126.971 126.384 0.587 1
1 131 . 17 1 1 A 17 17 ARG CA C 17 53.301 54.526 -1.225 1
1 132 . 17 1 1 A 17 17 ARG CB C 17 32.620 33.647 -1.027 1
1 133 . 17 1 1 A 17 17 ARG C C 17 171.302 175.505 -4.203 1
1 134 . 17 1 1 A 17 17 ARG HA H 17 4.715 5.042 -0.327 1
1 141 . 17 1 1 A 18 18 ILE H H 18 6.989 8.868 -1.879 1
1 142 . 17 1 1 A 18 18 ILE N N 18 120.966 119.381 1.585 1
1 143 . 17 1 1 A 18 18 ILE CA C 18 57.903 59.870 -1.967 1
1 144 . 17 1 1 A 18 18 ILE C C 18 173.747 174.972 -1.225 1
1 145 . 17 1 1 A 18 18 ILE HA H 18 4.563 5.013 -0.450 1
1 150 . 17 1 1 A 19 19 LEU H H 19 8.940 8.938 0.002 1
1 151 . 17 1 1 A 19 19 LEU N N 19 128.097 127.522 0.575 1
1 152 . 17 1 1 A 19 19 LEU CA C 19 51.419 51.861 -0.442 1
1 153 . 17 1 1 A 20 20 PRO CA C 20 62.710 64.046 -1.336 1
1 154 . 17 1 1 A 20 20 PRO CB C 20 29.518 31.851 -2.333 1
1 155 . 17 1 1 A 20 20 PRO C C 20 173.966 177.183 -3.217 1
1 156 . 17 1 1 A 20 20 PRO HA H 20 4.319 4.547 -0.228 1
1 161 . 17 1 1 A 21 21 ASP H H 21 7.415 8.007 -0.592 1
1 162 . 17 1 1 A 21 21 ASP N N 21 114.000 117.120 -3.120 1
1 163 . 17 1 1 A 21 21 ASP CA C 21 51.361 54.063 -2.702 1
1 164 . 17 1 1 A 21 21 ASP CB C 21 37.419 40.898 -3.479 1
1 165 . 17 1 1 A 21 21 ASP C C 21 174.570 176.561 -1.991 1
1 166 . 17 1 1 A 21 21 ASP HA H 21 4.513 4.690 -0.177 1
1 169 . 17 1 1 A 22 22 GLY H H 22 8.404 8.210 0.194 1
1 170 . 17 1 1 A 22 22 GLY N N 22 109.100 106.008 3.092 1
1 171 . 17 1 1 A 22 22 GLY CA C 22 43.166 46.083 -2.917 1
1 172 . 17 1 1 A 22 22 GLY C C 22 172.565 174.374 -1.809 1
1 173 . 17 1 1 A 22 22 GLY HA3 H 22 4.632 4.114 0.518 1
1 174 . 17 1 1 A 22 22 GLY HA2 H 22 3.838 4.077 -0.239 1
1 175 . 17 1 1 A 23 23 THR H H 23 7.894 7.471 0.423 1
1 176 . 17 1 1 A 23 23 THR N N 23 116.800 114.501 2.299 1
1 177 . 17 1 1 A 23 23 THR CA C 23 61.304 61.396 -0.092 1
1 178 . 17 1 1 A 23 23 THR CB C 23 67.455 71.190 -3.735 1
1 179 . 17 1 1 A 23 23 THR C C 23 170.170 173.409 -3.239 1
1 180 . 17 1 1 A 23 23 THR HA H 23 4.489 4.774 -0.285 1
1 185 . 17 1 1 A 24 24 VAL H H 24 7.792 9.076 -1.284 1
1 186 . 17 1 1 A 24 24 VAL N N 24 123.100 127.784 -4.684 1
1 187 . 17 1 1 A 24 24 VAL CA C 24 58.203 61.960 -3.757 1
1 188 . 17 1 1 A 24 24 VAL CB C 24 31.847 31.772 0.075 1
1 189 . 17 1 1 A 24 24 VAL C C 24 171.629 174.636 -3.007 1
1 190 . 17 1 1 A 24 24 VAL HA H 24 5.084 4.580 0.504 1
1 195 . 17 1 1 A 25 25 ASP H H 25 8.906 8.455 0.451 1
1 196 . 17 1 1 A 25 25 ASP N N 25 131.200 125.105 6.095 1
1 197 . 17 1 1 A 25 25 ASP CA C 25 50.847 52.386 -1.539 1
1 198 . 17 1 1 A 25 25 ASP CB C 25 38.730 44.898 -6.168 1
1 199 . 17 1 1 A 25 25 ASP C C 25 170.281 174.702 -4.421 1
1 200 . 17 1 1 A 25 25 ASP HA H 25 4.313 5.364 -1.051 1
1 203 . 17 1 1 A 26 26 GLY H H 26 7.891 8.667 -0.776 1
1 204 . 17 1 1 A 26 26 GLY N N 26 102.500 107.946 -5.446 1
1 205 . 17 1 1 A 26 26 GLY CA C 26 42.057 44.846 -2.789 1
1 206 . 17 1 1 A 26 26 GLY C C 26 169.975 172.770 -2.795 1
1 207 . 17 1 1 A 26 26 GLY HA3 H 26 5.529 4.155 1.374 1
1 208 . 17 1 1 A 26 26 GLY HA2 H 26 3.015 4.108 -1.093 1
1 209 . 17 1 1 A 27 27 THR H H 27 8.529 9.199 -0.670 1
1 210 . 17 1 1 A 27 27 THR N N 27 112.700 118.406 -5.706 1
1 211 . 17 1 1 A 27 27 THR CA C 27 56.740 60.636 -3.896 1
1 212 . 17 1 1 A 27 27 THR CB C 27 67.326 72.337 -5.011 1
1 213 . 17 1 1 A 27 27 THR C C 27 170.554 172.846 -2.292 1
1 214 . 17 1 1 A 27 27 THR HA H 27 5.189 3.719 1.470 1
1 219 . 17 1 1 A 28 28 ARG H H 28 8.993 8.342 0.651 1
1 220 . 17 1 1 A 28 28 ARG N N 28 127.500 124.687 2.813 1
1 221 . 17 1 1 A 28 28 ARG CA C 28 54.938 55.636 -0.698 1
1 222 . 17 1 1 A 28 28 ARG CB C 28 37.260 30.570 6.690 1
1 223 . 17 1 1 A 28 28 ARG C C 28 173.450 174.764 -1.314 1
1 224 . 17 1 1 A 28 28 ARG HA H 28 4.691 4.679 0.012 1
1 227 . 17 1 1 A 29 29 ASP H H 29 8.323 8.606 -0.283 1
1 228 . 17 1 1 A 29 29 ASP N N 29 121.000 124.586 -3.586 1
1 229 . 17 1 1 A 29 29 ASP CA C 29 50.779 54.068 -3.289 1
1 230 . 17 1 1 A 29 29 ASP C C 29 172.275 175.212 -2.937 1
1 231 . 17 1 1 A 29 29 ASP HA H 29 4.661 5.073 -0.412 1
1 234 . 17 1 1 A 30 30 ARG H H 30 8.342 8.625 -0.283 1
1 235 . 17 1 1 A 30 30 ARG N N 30 126.100 122.863 3.237 1
1 236 . 17 1 1 A 30 30 ARG CA C 30 54.924 55.142 -0.218 1
1 237 . 17 1 1 A 30 30 ARG CB C 30 28.367 30.515 -2.148 1
1 238 . 17 1 1 A 30 30 ARG C C 30 173.454 176.859 -3.405 1
1 239 . 17 1 1 A 30 30 ARG HA H 30 3.592 4.757 -1.165 1
1 243 . 17 1 1 A 31 31 SER H H 31 8.379 8.416 -0.037 1
1 244 . 17 1 1 A 31 31 SER N N 31 113.600 114.196 -0.596 1
1 245 . 17 1 1 A 31 31 SER CA C 31 55.918 59.698 -3.780 1
1 246 . 17 1 1 A 31 31 SER CB C 31 61.807 64.293 -2.486 1
1 247 . 17 1 1 A 31 31 SER C C 31 171.758 173.729 -1.971 1
1 248 . 17 1 1 A 31 31 SER HA H 31 4.397 4.618 -0.221 1
1 251 . 17 1 1 A 32 32 ASP H H 32 7.105 7.850 -0.745 1
1 252 . 17 1 1 A 32 32 ASP N N 32 125.000 120.767 4.233 1
1 253 . 17 1 1 A 32 32 ASP CA C 32 53.116 52.120 0.996 1
1 254 . 17 1 1 A 32 32 ASP CB C 32 41.585 43.647 -2.062 1
1 255 . 17 1 1 A 32 32 ASP C C 32 174.497 175.668 -1.171 1
1 256 . 17 1 1 A 32 32 ASP HA H 32 4.276 5.019 -0.743 1
1 259 . 17 1 1 A 33 33 GLN H H 33 8.775 8.595 0.180 1
1 260 . 17 1 1 A 33 33 GLN N N 33 124.700 121.315 3.385 1
1 261 . 17 1 1 A 33 33 GLN CA C 33 55.127 55.307 -0.180 1
1 262 . 17 1 1 A 33 33 GLN CB C 33 26.601 28.048 -1.447 1
1 263 . 17 1 1 A 33 33 GLN C C 33 174.900 175.650 -0.750 1
1 264 . 17 1 1 A 33 33 GLN HA H 33 4.061 4.634 -0.573 1
1 271 . 17 1 1 A 34 34 HIS H H 34 9.681 8.208 1.473 1
1 272 . 17 1 1 A 34 34 HIS N N 34 116.700 118.931 -2.231 1
1 273 . 17 1 1 A 34 34 HIS CA C 34 55.739 56.984 -1.245 1
1 274 . 17 1 1 A 34 34 HIS CB C 34 26.065 31.933 -5.868 1
1 275 . 17 1 1 A 34 34 HIS C C 34 172.307 176.003 -3.696 1
1 276 . 17 1 1 A 34 34 HIS HA H 34 4.885 4.610 0.275 1
1 279 . 17 1 1 A 35 35 ILE H H 35 6.711 7.399 -0.688 1
1 280 . 17 1 1 A 35 35 ILE N N 35 108.600 109.182 -0.582 1
1 281 . 17 1 1 A 35 35 ILE CA C 35 58.395 60.618 -2.223 1
1 282 . 17 1 1 A 35 35 ILE CB C 35 35.989 37.302 -1.313 1
1 283 . 17 1 1 A 35 35 ILE C C 35 172.249 176.201 -3.952 1
1 284 . 17 1 1 A 35 35 ILE HA H 35 5.114 4.795 0.319 1
1 293 . 17 1 1 A 36 36 GLN H H 36 7.148 7.891 -0.743 1
1 294 . 17 1 1 A 36 36 GLN N N 36 120.018 121.048 -1.030 1
1 295 . 17 1 1 A 36 36 GLN CA C 36 55.111 54.844 0.267 1
1 296 . 17 1 1 A 36 36 GLN CB C 36 25.190 29.779 -4.589 1
1 297 . 17 1 1 A 36 36 GLN C C 36 172.952 175.045 -2.093 1
1 298 . 17 1 1 A 36 36 GLN HA H 36 4.261 4.794 -0.533 1
1 305 . 17 1 1 A 37 37 LEU H H 37 9.110 8.983 0.127 1
1 306 . 17 1 1 A 37 37 LEU N N 37 127.600 123.108 4.492 1
1 307 . 17 1 1 A 37 37 LEU CA C 37 51.329 52.600 -1.271 1
1 308 . 17 1 1 A 37 37 LEU CB C 37 42.165 44.788 -2.623 1
1 309 . 17 1 1 A 37 37 LEU C C 37 172.877 174.987 -2.110 1
1 310 . 17 1 1 A 37 37 LEU HA H 37 5.315 5.125 0.190 1
1 319 . 17 1 1 A 38 38 GLN H H 38 9.556 9.130 0.426 1
1 320 . 17 1 1 A 38 38 GLN N N 38 120.583 121.404 -0.821 1
1 321 . 17 1 1 A 38 38 GLN CA C 38 51.810 55.029 -3.219 1
1 322 . 17 1 1 A 38 38 GLN CB C 38 29.259 29.354 -0.095 1
1 323 . 17 1 1 A 38 38 GLN C C 38 172.676 174.821 -2.145 1
1 324 . 17 1 1 A 38 38 GLN HA H 38 4.623 4.536 0.087 1
1 328 . 17 1 1 A 39 39 LEU H H 39 8.926 9.290 -0.364 1
1 329 . 17 1 1 A 39 39 LEU N N 39 131.700 130.702 0.998 1
1 330 . 17 1 1 A 39 39 LEU CA C 39 53.062 53.900 -0.838 1
1 331 . 17 1 1 A 39 39 LEU C C 39 174.601 175.589 -0.988 1
1 332 . 17 1 1 A 39 39 LEU HA H 39 5.506 5.024 0.482 1
1 341 . 17 1 1 A 40 40 SER H H 40 8.569 8.627 -0.058 1
1 342 . 17 1 1 A 40 40 SER N N 40 115.900 122.435 -6.535 1
1 343 . 17 1 1 A 40 40 SER CA C 40 54.925 57.515 -2.590 1
1 344 . 17 1 1 A 40 40 SER CB C 40 46.694 66.304 -19.610 1
1 345 . 17 1 1 A 40 40 SER C C 40 170.046 172.923 -2.877 1
1 346 . 17 1 1 A 40 40 SER HA H 40 4.676 5.259 -0.583 1
1 349 . 17 1 1 A 41 41 ALA H H 41 8.357 8.524 -0.167 1
1 350 . 17 1 1 A 41 41 ALA N N 41 125.900 124.656 1.244 1
1 351 . 17 1 1 A 41 41 ALA CA C 41 49.309 50.684 -1.375 1
1 352 . 17 1 1 A 41 41 ALA CB C 41 27.376 19.981 7.395 1
1 353 . 17 1 1 A 41 41 ALA C C 41 175.352 177.245 -1.893 1
1 354 . 17 1 1 A 41 41 ALA HA H 41 5.016 4.865 0.151 1
1 358 . 17 1 1 A 42 42 GLU H H 42 8.485 9.157 -0.672 1
1 359 . 17 1 1 A 42 42 GLU N N 42 125.400 126.725 -1.325 1
1 360 . 17 1 1 A 42 42 GLU CA C 42 54.611 57.598 -2.987 1
1 361 . 17 1 1 A 42 42 GLU CB C 42 28.181 30.856 -2.675 1
1 362 . 17 1 1 A 42 42 GLU C C 42 174.014 175.749 -1.735 1
1 363 . 17 1 1 A 42 42 GLU HA H 42 4.444 4.412 0.032 1
1 368 . 17 1 1 A 43 43 SER H H 43 8.020 7.964 0.056 1
1 369 . 17 1 1 A 43 43 SER N N 43 113.900 115.258 -1.358 1
1 370 . 17 1 1 A 43 43 SER CA C 43 55.014 57.537 -2.523 1
1 371 . 17 1 1 A 43 43 SER CB C 43 61.687 64.915 -3.228 1
1 372 . 17 1 1 A 43 43 SER C C 43 171.119 174.389 -3.270 1
1 373 . 17 1 1 A 43 43 SER HA H 43 4.516 4.856 -0.340 1
1 376 . 17 1 1 A 44 44 VAL H H 44 8.113 8.514 -0.401 1
1 377 . 17 1 1 A 44 44 VAL N N 44 121.100 124.529 -3.429 1
1 378 . 17 1 1 A 44 44 VAL CA C 44 62.838 65.510 -2.672 1
1 379 . 17 1 1 A 44 44 VAL CB C 44 28.991 31.245 -2.254 1
1 380 . 17 1 1 A 44 44 VAL C C 44 175.533 177.071 -1.538 1
1 381 . 17 1 1 A 44 44 VAL HA H 44 3.868 3.512 0.356 1
1 389 . 17 1 1 A 45 45 GLY H H 45 8.807 8.974 -0.167 1
1 390 . 17 1 1 A 45 45 GLY N N 45 115.545 115.356 0.189 1
1 391 . 17 1 1 A 45 45 GLY CA C 45 43.553 45.061 -1.508 1
1 392 . 17 1 1 A 45 45 GLY C C 45 170.948 174.461 -3.513 1
1 393 . 17 1 1 A 45 45 GLY HA3 H 45 4.296 4.034 0.262 1
1 394 . 17 1 1 A 45 45 GLY HA2 H 45 3.995 4.020 -0.025 1
1 395 . 17 1 1 A 46 46 GLU H H 46 7.985 7.980 0.005 1
1 396 . 17 1 1 A 46 46 GLU N N 46 121.200 120.933 0.267 1
1 397 . 17 1 1 A 46 46 GLU CA C 46 52.751 56.020 -3.269 1
1 398 . 17 1 1 A 46 46 GLU CB C 46 29.432 30.434 -1.002 1
1 399 . 17 1 1 A 46 46 GLU C C 46 173.583 175.657 -2.074 1
1 400 . 17 1 1 A 46 46 GLU HA H 46 5.442 4.727 0.715 1
1 405 . 17 1 1 A 47 47 VAL H H 47 9.560 9.370 0.190 1
1 406 . 17 1 1 A 47 47 VAL N N 47 116.400 119.127 -2.727 1
1 407 . 17 1 1 A 47 47 VAL CA C 47 56.846 60.249 -3.403 1
1 408 . 17 1 1 A 47 47 VAL CB C 47 33.714 33.928 -0.214 1
1 409 . 17 1 1 A 47 47 VAL C C 47 172.960 173.750 -0.790 1
1 410 . 17 1 1 A 47 47 VAL HA H 47 5.505 5.036 0.469 1
1 418 . 17 1 1 A 48 48 TYR H H 48 8.415 9.142 -0.727 1
1 419 . 17 1 1 A 48 48 TYR N N 48 117.400 126.223 -8.823 1
1 420 . 17 1 1 A 48 48 TYR CA C 48 54.331 55.779 -1.448 1
1 421 . 17 1 1 A 48 48 TYR CB C 48 39.296 41.644 -2.348 1
1 422 . 17 1 1 A 48 48 TYR C C 48 173.423 173.785 -0.362 1
1 423 . 17 1 1 A 48 48 TYR HA H 48 5.290 5.315 -0.025 1
1 426 . 17 1 1 A 49 49 ILE H H 49 10.532 9.134 1.398 1
1 427 . 17 1 1 A 49 49 ILE N N 49 123.100 128.702 -5.602 1
1 428 . 17 1 1 A 49 49 ILE CA C 49 59.573 60.367 -0.794 1
1 429 . 17 1 1 A 49 49 ILE CB C 49 40.504 37.647 2.857 1
1 430 . 17 1 1 A 49 49 ILE C C 49 170.853 174.946 -4.093 1
1 431 . 17 1 1 A 49 49 ILE HA H 49 4.341 4.629 -0.288 1
1 438 . 17 1 1 A 50 50 LYS H H 50 8.511 8.878 -0.367 1
1 439 . 17 1 1 A 50 50 LYS N N 50 125.800 127.389 -1.589 1
1 440 . 17 1 1 A 50 50 LYS CA C 50 51.179 53.977 -2.798 1
1 441 . 17 1 1 A 50 50 LYS CB C 50 34.816 34.683 0.133 1
1 442 . 17 1 1 A 50 50 LYS C C 50 173.759 176.200 -2.441 1
1 443 . 17 1 1 A 50 50 LYS HA H 50 4.991 4.451 0.540 1
1 451 . 17 1 1 A 51 51 SER H H 51 8.920 8.561 0.359 1
1 452 . 17 1 1 A 51 51 SER N N 51 117.579 115.429 2.150 1
1 453 . 17 1 1 A 51 51 SER CA C 51 55.043 57.300 -2.257 1
1 454 . 17 1 1 A 51 51 SER CB C 51 61.065 63.723 -2.658 1
1 455 . 17 1 1 A 51 51 SER C C 51 175.084 174.632 0.452 1
1 456 . 17 1 1 A 51 51 SER HA H 51 4.666 4.610 0.056 1
1 459 . 17 1 1 A 52 52 THR H H 52 8.342 8.157 0.185 1
1 460 . 17 1 1 A 52 52 THR N N 52 123.200 118.484 4.716 1
1 461 . 17 1 1 A 52 52 THR CA C 52 62.792 64.672 -1.880 1
1 462 . 17 1 1 A 52 52 THR CB C 52 65.611 68.952 -3.341 1
1 463 . 17 1 1 A 52 52 THR C C 52 173.566 176.512 -2.946 1
1 464 . 17 1 1 A 52 52 THR HA H 52 3.996 3.976 0.020 1
1 469 . 17 1 1 A 53 53 GLU H H 53 8.312 7.938 0.374 1
1 470 . 17 1 1 A 53 53 GLU N N 53 122.000 120.746 1.254 1
1 471 . 17 1 1 A 53 53 GLU CA C 53 55.889 58.352 -2.463 1
1 472 . 17 1 1 A 53 53 GLU CB C 53 28.359 30.405 -2.046 1
1 473 . 17 1 1 A 53 53 GLU C C 53 175.327 177.839 -2.512 1
1 474 . 17 1 1 A 53 53 GLU HA H 53 4.311 4.158 0.153 1
1 477 . 17 1 1 A 54 54 THR H H 54 7.724 7.825 -0.101 1
1 478 . 17 1 1 A 54 54 THR N N 54 103.100 113.112 -10.012 1
1 479 . 17 1 1 A 54 54 THR CA C 54 58.555 61.181 -2.626 1
1 480 . 17 1 1 A 54 54 THR CB C 54 69.030 69.183 -0.153 1
1 481 . 17 1 1 A 54 54 THR C C 54 173.942 175.502 -1.560 1
1 482 . 17 1 1 A 54 54 THR HA H 54 4.681 4.506 0.175 1
1 487 . 17 1 1 A 55 55 GLY H H 55 7.643 8.072 -0.429 1
1 488 . 17 1 1 A 55 55 GLY N N 55 110.700 109.460 1.240 1
1 489 . 17 1 1 A 55 55 GLY CA C 55 43.594 45.652 -2.058 1
1 490 . 17 1 1 A 55 55 GLY HA3 H 55 4.150 3.918 0.232 1
1 491 . 17 1 1 A 55 55 GLY HA2 H 55 3.591 3.899 -0.308 1
1 492 . 17 1 1 A 55 55 GLY C C 55 170.694 173.947 -3.253 1
1 493 . 17 1 1 A 56 56 GLN H H 56 7.211 7.470 -0.259 1
1 494 . 17 1 1 A 56 56 GLN N N 56 115.700 115.283 0.417 1
1 495 . 17 1 1 A 56 56 GLN CA C 56 53.898 55.708 -1.810 1
1 496 . 17 1 1 A 56 56 GLN CB C 56 30.456 32.268 -1.812 1
1 497 . 17 1 1 A 56 56 GLN C C 56 172.141 172.945 -0.804 1
1 498 . 17 1 1 A 56 56 GLN HA H 56 4.311 4.659 -0.348 1
1 504 . 17 1 1 A 57 57 TYR H H 57 9.254 8.922 0.332 1
1 505 . 17 1 1 A 57 57 TYR N N 57 119.400 124.248 -4.848 1
1 506 . 17 1 1 A 57 57 TYR CA C 57 53.356 55.953 -2.597 1
1 507 . 17 1 1 A 57 57 TYR CB C 57 40.466 37.305 3.161 1
1 508 . 17 1 1 A 57 57 TYR C C 57 173.320 174.217 -0.897 1
1 509 . 17 1 1 A 57 57 TYR HA H 57 4.128 6.243 -2.115 1
1 512 . 17 1 1 A 58 58 LEU H H 58 9.126 8.226 0.900 1
1 513 . 17 1 1 A 58 58 LEU N N 58 123.600 127.506 -3.906 1
1 514 . 17 1 1 A 58 58 LEU CA C 58 53.256 55.600 -2.344 1
1 515 . 17 1 1 A 58 58 LEU CB C 58 40.466 42.226 -1.760 1
1 516 . 17 1 1 A 58 58 LEU C C 58 172.320 175.305 -2.985 1
1 517 . 17 1 1 A 58 58 LEU HA H 58 4.128 4.856 -0.728 1
1 524 . 17 1 1 A 59 59 ALA H H 59 8.656 8.331 0.325 1
1 525 . 17 1 1 A 59 59 ALA N N 59 126.947 127.121 -0.174 1
1 526 . 17 1 1 A 59 59 ALA CA C 59 48.450 50.701 -2.251 1
1 527 . 17 1 1 A 59 59 ALA CB C 59 21.261 21.216 0.045 1
1 528 . 17 1 1 A 59 59 ALA C C 59 172.722 175.350 -2.628 1
1 529 . 17 1 1 A 59 59 ALA HA H 59 5.124 5.074 0.050 1
1 533 . 17 1 1 A 60 60 MET H H 60 7.521 9.238 -1.717 1
1 534 . 17 1 1 A 60 60 MET N N 60 116.602 125.771 -9.169 1
1 535 . 17 1 1 A 60 60 MET CA C 60 52.251 54.901 -2.650 1
1 536 . 17 1 1 A 60 60 MET CB C 60 35.046 34.138 0.908 1
1 537 . 17 1 1 A 60 60 MET C C 60 173.753 174.850 -1.097 1
1 538 . 17 1 1 A 60 60 MET HA H 60 5.527 4.880 0.647 1
1 543 . 17 1 1 A 61 61 ASP H H 61 9.159 9.214 -0.055 1
1 544 . 17 1 1 A 61 61 ASP N N 61 128.445 126.827 1.618 1
1 545 . 17 1 1 A 61 61 ASP CA C 61 51.480 53.356 -1.876 1
1 546 . 17 1 1 A 61 61 ASP CB C 61 39.346 41.841 -2.495 1
1 547 . 17 1 1 A 61 61 ASP C C 61 175.800 176.822 -1.022 1
1 548 . 17 1 1 A 61 61 ASP HA H 61 5.046 5.429 -0.383 1
1 551 . 17 1 1 A 62 62 THR H H 62 7.972 8.919 -0.947 1
1 552 . 17 1 1 A 62 62 THR N N 62 107.806 116.937 -9.131 1
1 553 . 17 1 1 A 62 62 THR CA C 62 62.626 64.354 -1.728 1
1 554 . 17 1 1 A 62 62 THR CB C 62 66.955 67.786 -0.831 1
1 555 . 17 1 1 A 62 62 THR C C 62 172.355 173.589 -1.234 1
1 556 . 17 1 1 A 62 62 THR HA H 62 4.134 4.401 -0.267 1
1 561 . 17 1 1 A 63 63 ASP H H 63 8.333 8.725 -0.392 1
1 562 . 17 1 1 A 63 63 ASP N N 63 119.831 120.433 -0.602 1
1 563 . 17 1 1 A 63 63 ASP CA C 63 51.865 53.574 -1.709 1
1 564 . 17 1 1 A 63 63 ASP CB C 63 39.182 42.175 -2.993 1
1 565 . 17 1 1 A 63 63 ASP C C 63 174.438 177.610 -3.172 1
1 566 . 17 1 1 A 63 63 ASP HA H 63 4.964 4.989 -0.025 1
1 569 . 17 1 1 A 64 64 GLY H H 64 8.264 8.217 0.047 1
1 570 . 17 1 1 A 64 64 GLY N N 64 109.142 108.423 0.719 1
1 571 . 17 1 1 A 64 64 GLY CA C 64 42.923 46.124 -3.201 1
1 572 . 17 1 1 A 64 64 GLY C C 64 171.248 173.849 -2.601 1
1 573 . 17 1 1 A 64 64 GLY HA3 H 64 3.652 4.160 -0.508 1
1 574 . 17 1 1 A 64 64 GLY HA2 H 64 3.397 4.126 -0.729 1
1 575 . 17 1 1 A 65 65 LEU H H 65 8.636 7.747 0.889 1
1 576 . 17 1 1 A 65 65 LEU N N 65 123.137 118.548 4.589 1
1 577 . 17 1 1 A 65 65 LEU CA C 65 52.224 53.448 -1.224 1
1 578 . 17 1 1 A 65 65 LEU CB C 65 40.557 47.473 -6.916 1
1 579 . 17 1 1 A 65 65 LEU C C 65 174.507 175.691 -1.184 1
1 580 . 17 1 1 A 65 65 LEU HA H 65 4.529 5.121 -0.592 1
1 590 . 17 1 1 A 66 66 LEU H H 66 7.431 8.953 -1.522 1
1 591 . 17 1 1 A 66 66 LEU N N 66 124.493 119.978 4.515 1
1 592 . 17 1 1 A 66 66 LEU CA C 66 51.635 53.334 -1.699 1
1 593 . 17 1 1 A 66 66 LEU CB C 66 40.474 44.953 -4.479 1
1 594 . 17 1 1 A 66 66 LEU C C 66 174.070 175.500 -1.430 1
1 595 . 17 1 1 A 66 66 LEU HA H 66 5.714 5.558 0.156 1
1 605 . 17 1 1 A 67 67 TYR H H 67 9.237 8.821 0.416 1
1 606 . 17 1 1 A 67 67 TYR N N 67 120.360 118.093 2.267 1
1 607 . 17 1 1 A 67 67 TYR CA C 67 54.076 55.181 -1.105 1
1 608 . 17 1 1 A 67 67 TYR CB C 67 38.903 42.355 -3.452 1
1 609 . 17 1 1 A 67 67 TYR C C 67 169.640 174.031 -4.391 1
1 610 . 17 1 1 A 67 67 TYR HA H 67 5.023 5.955 -0.932 1
1 612 . 17 1 1 A 68 68 GLY H H 68 8.928 8.435 0.493 1
1 613 . 17 1 1 A 68 68 GLY N N 68 105.646 106.667 -1.021 1
1 614 . 17 1 1 A 68 68 GLY CA C 68 41.569 45.557 -3.988 1
1 615 . 17 1 1 A 68 68 GLY C C 68 170.551 173.385 -2.834 1
1 616 . 17 1 1 A 68 68 GLY HA2 H 68 4.676 4.262 0.414 1
1 617 . 17 1 1 A 69 69 SER H H 69 9.608 9.021 0.587 1
1 618 . 17 1 1 A 69 69 SER N N 69 120.100 114.061 6.039 1
1 619 . 17 1 1 A 69 69 SER CA C 69 53.737 59.460 -5.723 1
1 620 . 17 1 1 A 69 69 SER CB C 69 63.042 65.552 -2.510 1
1 621 . 17 1 1 A 69 69 SER C C 69 174.219 175.190 -0.971 1
1 622 . 17 1 1 A 69 69 SER HA H 69 4.966 4.786 0.180 1
1 625 . 17 1 1 A 70 70 GLN H H 70 9.343 8.509 0.834 1
1 626 . 17 1 1 A 70 70 GLN N N 70 127.339 118.269 9.070 1
1 627 . 17 1 1 A 70 70 GLN CA C 70 56.139 57.571 -1.432 1
1 628 . 17 1 1 A 70 70 GLN CB C 70 27.092 30.401 -3.309 1
1 629 . 17 1 1 A 70 70 GLN C C 70 173.241 176.306 -3.065 1
1 630 . 17 1 1 A 70 70 GLN HA H 70 4.286 4.384 -0.098 1
1 638 . 17 1 1 A 71 71 THR H H 71 7.532 7.957 -0.425 1
1 639 . 17 1 1 A 71 71 THR N N 71 108.100 112.228 -4.128 1
1 640 . 17 1 1 A 71 71 THR CA C 71 55.203 58.964 -3.761 1
1 641 . 17 1 1 A 71 71 THR HA H 71 4.780 4.915 -0.135 1
1 643 . 17 1 1 A 72 72 PRO CA C 72 60.050 61.844 -1.794 1
1 644 . 17 1 1 A 72 72 PRO CB C 72 26.678 31.073 -4.395 1
1 645 . 17 1 1 A 72 72 PRO C C 72 172.920 176.177 -3.257 1
1 646 . 17 1 1 A 72 72 PRO HA H 72 4.173 4.700 -0.527 1
1 649 . 17 1 1 A 73 73 ASN H H 73 7.321 8.572 -1.251 1
1 650 . 17 1 1 A 73 73 ASN N N 73 119.200 121.307 -2.107 1
1 651 . 17 1 1 A 73 73 ASN CA C 73 49.994 52.218 -2.224 1
1 652 . 17 1 1 A 74 74 GLU H H 74 9.030 8.447 0.583 1
1 653 . 17 1 1 A 74 74 GLU CA C 74 57.131 55.549 1.582 1
1 654 . 17 1 1 A 74 74 GLU CB C 74 27.005 30.489 -3.484 1
1 655 . 17 1 1 A 74 74 GLU C C 74 176.352 176.251 0.101 1
1 656 . 17 1 1 A 74 74 GLU HA H 74 4.130 4.761 -0.631 1
1 661 . 17 1 1 A 75 75 GLU H H 75 8.574 8.449 0.125 1
1 662 . 17 1 1 A 75 75 GLU N N 75 119.200 122.888 -3.688 1
1 663 . 17 1 1 A 75 75 GLU CA C 75 56.343 56.795 -0.452 1
1 664 . 17 1 1 A 75 75 GLU CB C 75 26.028 31.846 -5.818 1
1 665 . 17 1 1 A 75 75 GLU C C 75 173.866 177.149 -3.283 1
1 666 . 17 1 1 A 75 75 GLU HA H 75 4.206 4.564 -0.358 1
1 671 . 17 1 1 A 76 76 CYS H H 76 7.727 7.107 0.620 1
1 672 . 17 1 1 A 76 76 CYS N N 76 113.800 117.233 -3.433 1
1 673 . 17 1 1 A 76 76 CYS CA C 76 55.635 59.598 -3.963 1
1 674 . 17 1 1 A 76 76 CYS CB C 76 26.036 27.770 -1.734 1
1 675 . 17 1 1 A 76 76 CYS C C 76 170.849 174.461 -3.612 1
1 676 . 17 1 1 A 76 76 CYS HA H 76 5.426 4.004 1.422 1
1 679 . 17 1 1 A 77 77 LEU H H 77 6.241 7.119 -0.878 1
1 680 . 17 1 1 A 77 77 LEU N N 77 118.069 123.928 -5.859 1
1 681 . 17 1 1 A 77 77 LEU CA C 77 51.793 55.582 -3.789 1
1 682 . 17 1 1 A 77 77 LEU CB C 77 42.123 41.780 0.343 1
1 683 . 17 1 1 A 77 77 LEU C C 77 173.882 176.390 -2.508 1
1 684 . 17 1 1 A 77 77 LEU HA H 77 4.555 3.920 0.635 1
1 694 . 17 1 1 A 78 78 PHE H H 78 9.067 8.778 0.289 1
1 695 . 17 1 1 A 78 78 PHE N N 78 122.377 123.412 -1.035 1
1 696 . 17 1 1 A 78 78 PHE CA C 78 54.917 56.455 -1.538 1
1 697 . 17 1 1 A 78 78 PHE CB C 78 40.597 43.838 -3.241 1
1 698 . 17 1 1 A 78 78 PHE C C 78 171.853 174.759 -2.906 1
1 699 . 17 1 1 A 78 78 PHE HA H 78 5.169 5.175 -0.006 1
1 702 . 17 1 1 A 79 79 LEU H H 79 9.958 9.295 0.663 1
1 703 . 17 1 1 A 79 79 LEU N N 79 122.126 123.021 -0.895 1
1 704 . 17 1 1 A 79 79 LEU CA C 79 51.232 54.285 -3.053 1
1 705 . 17 1 1 A 79 79 LEU CB C 79 38.511 44.643 -6.132 1
1 706 . 17 1 1 A 79 79 LEU C C 79 173.055 175.545 -2.490 1
1 707 . 17 1 1 A 79 79 LEU HA H 79 4.686 5.075 -0.389 1
1 713 . 17 1 1 A 80 80 GLU H H 80 8.347 8.971 -0.624 1
1 714 . 17 1 1 A 80 80 GLU N N 80 126.300 127.900 -1.600 1
1 715 . 17 1 1 A 80 80 GLU CA C 80 52.558 55.363 -2.805 1
1 716 . 17 1 1 A 80 80 GLU CB C 80 30.892 31.625 -0.733 1
1 717 . 17 1 1 A 80 80 GLU C C 80 173.355 175.305 -1.950 1
1 718 . 17 1 1 A 80 80 GLU HA H 80 4.832 5.294 -0.462 1
1 721 . 17 1 1 A 81 81 ARG H H 81 8.840 8.847 -0.007 1
1 722 . 17 1 1 A 81 81 ARG N N 81 129.522 129.366 0.156 1
1 723 . 17 1 1 A 81 81 ARG CA C 81 52.288 54.455 -2.167 1
1 724 . 17 1 1 A 81 81 ARG CB C 81 38.588 33.722 4.866 1
1 725 . 17 1 1 A 81 81 ARG C C 81 172.258 174.318 -2.060 1
1 726 . 17 1 1 A 81 81 ARG HA H 81 4.659 5.061 -0.402 1
1 732 . 17 1 1 A 82 82 LEU H H 82 8.347 8.991 -0.644 1
1 733 . 17 1 1 A 82 82 LEU N N 82 125.700 128.481 -2.781 1
1 734 . 17 1 1 A 82 82 LEU CA C 82 52.631 53.504 -0.873 1
1 735 . 17 1 1 A 82 82 LEU CB C 82 40.304 43.122 -2.818 1
1 736 . 17 1 1 A 82 82 LEU C C 82 174.567 175.610 -1.043 1
1 737 . 17 1 1 A 82 82 LEU HA H 82 4.875 4.951 -0.076 1
1 744 . 17 1 1 A 83 83 GLU H H 83 9.064 8.718 0.346 1
1 745 . 17 1 1 A 83 83 GLU N N 83 125.600 124.913 0.687 1
1 746 . 17 1 1 A 83 83 GLU CA C 83 51.723 56.338 -4.615 1
1 747 . 17 1 1 A 83 83 GLU CB C 83 43.703 31.360 12.343 1
1 748 . 17 1 1 A 83 83 GLU C C 83 174.885 177.064 -2.179 1
1 749 . 17 1 1 A 83 83 GLU HA H 83 4.974 4.608 0.366 1
1 752 . 17 1 1 A 84 84 GLU H H 84 8.806 9.190 -0.384 1
1 753 . 17 1 1 A 84 84 GLU N N 84 120.300 124.708 -4.408 1
1 754 . 17 1 1 A 84 84 GLU CA C 84 55.553 56.714 -1.161 1
1 755 . 17 1 1 A 84 84 GLU CB C 84 27.117 29.974 -2.857 1
1 756 . 17 1 1 A 84 84 GLU C C 84 174.261 176.644 -2.383 1
1 757 . 17 1 1 A 84 84 GLU HA H 84 4.112 4.373 -0.261 1
1 761 . 17 1 1 A 85 85 ASN H H 85 8.429 7.710 0.719 1
1 762 . 17 1 1 A 85 85 ASN N N 85 114.800 118.843 -4.043 1
1 763 . 17 1 1 A 85 85 ASN CA C 85 51.788 52.164 -0.376 1
1 764 . 17 1 1 A 85 85 ASN CB C 85 35.301 38.584 -3.283 1
1 765 . 17 1 1 A 85 85 ASN C C 85 172.203 174.910 -2.707 1
1 766 . 17 1 1 A 85 85 ASN HA H 85 4.343 4.979 -0.636 1
1 769 . 17 1 1 A 86 86 HIS H H 86 8.081 7.925 0.156 1
1 770 . 17 1 1 A 86 86 HIS N N 86 108.737 113.304 -4.567 1
1 771 . 17 1 1 A 86 86 HIS CA C 86 55.255 56.904 -1.649 1
1 772 . 17 1 1 A 86 86 HIS CB C 86 24.858 26.571 -1.713 1
1 773 . 17 1 1 A 86 86 HIS C C 86 171.039 173.220 -2.181 1
1 774 . 17 1 1 A 86 86 HIS HA H 86 4.260 3.996 0.264 1
1 777 . 17 1 1 A 87 87 TYR H H 87 7.592 7.348 0.244 1
1 778 . 17 1 1 A 87 87 TYR N N 87 117.738 117.749 -0.011 1
1 779 . 17 1 1 A 87 87 TYR CA C 87 56.163 56.185 -0.022 1
1 780 . 17 1 1 A 87 87 TYR CB C 87 38.643 43.172 -4.529 1
1 781 . 17 1 1 A 87 87 TYR C C 87 171.983 174.133 -2.150 1
1 782 . 17 1 1 A 87 87 TYR HA H 87 4.836 5.161 -0.325 1
1 784 . 17 1 1 A 88 88 ASN H H 88 9.840 8.761 1.079 1
1 785 . 17 1 1 A 88 88 ASN N N 88 118.891 117.746 1.145 1
1 786 . 17 1 1 A 88 88 ASN CA C 88 50.063 51.382 -1.319 1
1 787 . 17 1 1 A 88 88 ASN CB C 88 40.242 41.791 -1.549 1
1 788 . 17 1 1 A 88 88 ASN C C 88 172.471 173.709 -1.238 1
1 789 . 17 1 1 A 88 88 ASN HA H 88 5.837 5.574 0.263 1
1 795 . 17 1 1 A 89 89 THR H H 89 8.380 8.713 -0.333 1
1 796 . 17 1 1 A 89 89 THR N N 89 108.521 115.488 -6.967 1
1 797 . 17 1 1 A 89 89 THR CA C 89 57.357 60.054 -2.697 1
1 798 . 17 1 1 A 89 89 THR CB C 89 70.868 72.537 -1.669 1
1 799 . 17 1 1 A 89 89 THR C C 89 170.548 172.465 -1.917 1
1 800 . 17 1 1 A 89 89 THR HA H 89 5.127 5.112 0.015 1
1 805 . 17 1 1 A 90 90 TYR H H 90 10.247 9.261 0.986 1
1 806 . 17 1 1 A 90 90 TYR N N 90 119.000 121.570 -2.570 1
1 807 . 17 1 1 A 90 90 TYR CA C 90 55.106 56.438 -1.332 1
1 808 . 17 1 1 A 90 90 TYR CB C 90 39.047 43.071 -4.024 1
1 809 . 17 1 1 A 90 90 TYR C C 90 172.442 174.827 -2.385 1
1 810 . 17 1 1 A 90 90 TYR HA H 90 5.472 5.512 -0.040 1
1 812 . 17 1 1 A 91 91 ILE H H 91 8.781 9.423 -0.642 1
1 813 . 17 1 1 A 91 91 ILE N N 91 122.546 123.575 -1.029 1
1 814 . 17 1 1 A 91 91 ILE CA C 91 56.346 59.527 -3.181 1
1 815 . 17 1 1 A 91 91 ILE CB C 91 36.627 40.771 -4.144 1
1 816 . 17 1 1 A 91 91 ILE C C 91 172.924 174.926 -2.002 1
1 817 . 17 1 1 A 91 91 ILE HA H 91 4.673 4.952 -0.279 1
1 826 . 17 1 1 A 92 92 SER H H 92 8.191 8.801 -0.610 1
1 827 . 17 1 1 A 92 92 SER N N 92 120.200 119.114 1.086 1
1 828 . 17 1 1 A 92 92 SER CA C 92 55.781 57.357 -1.576 1
1 829 . 17 1 1 A 92 92 SER CB C 92 62.382 63.293 -0.911 1
1 830 . 17 1 1 A 92 92 SER C C 92 172.863 174.774 -1.911 1
1 831 . 17 1 1 A 92 92 SER HA H 92 4.016 5.218 -1.202 1
1 833 . 17 1 1 A 93 93 LYS H H 93 7.993 9.084 -1.091 1
1 834 . 17 1 1 A 93 93 LYS N N 93 130.618 127.101 3.517 1
1 835 . 17 1 1 A 93 93 LYS CA C 93 57.942 58.628 -0.686 1
1 836 . 17 1 1 A 93 93 LYS CB C 93 30.889 32.399 -1.510 1
1 837 . 17 1 1 A 93 93 LYS C C 93 176.938 177.863 -0.925 1
1 838 . 17 1 1 A 93 93 LYS HA H 93 3.779 4.185 -0.406 1
1 844 . 17 1 1 A 94 94 LYS H H 94 8.616 7.887 0.729 1
1 845 . 17 1 1 A 94 94 LYS N N 94 120.044 120.119 -0.075 1
1 846 . 17 1 1 A 94 94 LYS CA C 94 55.868 58.771 -2.903 1
1 847 . 17 1 1 A 94 94 LYS CB C 94 30.329 32.633 -2.304 1
1 848 . 17 1 1 A 94 94 LYS C C 94 174.491 177.838 -3.347 1
1 849 . 17 1 1 A 94 94 LYS HA H 94 3.851 4.075 -0.224 1
1 856 . 17 1 1 A 95 95 HIS H H 95 7.249 8.694 -1.445 1
1 857 . 17 1 1 A 95 95 HIS N N 95 114.486 116.192 -1.706 1
1 858 . 17 1 1 A 95 95 HIS CA C 95 51.180 54.416 -3.236 1
1 859 . 17 1 1 A 95 95 HIS CB C 95 26.844 27.950 -1.106 1
1 860 . 17 1 1 A 95 95 HIS C C 95 173.734 175.713 -1.979 1
1 861 . 17 1 1 A 95 95 HIS HA H 95 4.604 4.703 -0.099 1
1 864 . 17 1 1 A 96 96 ALA H H 96 7.104 7.814 -0.710 1
1 865 . 17 1 1 A 96 96 ALA N N 96 125.204 123.945 1.259 1
1 866 . 17 1 1 A 96 96 ALA CA C 96 53.758 55.533 -1.775 1
1 867 . 17 1 1 A 96 96 ALA CB C 96 16.578 18.778 -2.200 1
1 868 . 17 1 1 A 96 96 ALA C C 96 178.508 179.805 -1.297 1
1 869 . 17 1 1 A 96 96 ALA HA H 96 4.131 4.101 0.030 1
1 873 . 17 1 1 A 97 97 GLU H H 97 8.857 7.905 0.952 1
1 874 . 17 1 1 A 97 97 GLU N N 97 118.007 118.271 -0.264 1
1 875 . 17 1 1 A 97 97 GLU CA C 97 56.153 58.412 -2.259 1
1 876 . 17 1 1 A 97 97 GLU CB C 97 26.241 29.566 -3.325 1
1 877 . 17 1 1 A 97 97 GLU C C 97 174.813 177.629 -2.816 1
1 878 . 17 1 1 A 97 97 GLU HA H 97 4.063 4.118 -0.055 1
1 882 . 17 1 1 A 98 98 LYS H H 98 7.116 7.677 -0.561 1
1 883 . 17 1 1 A 98 98 LYS N N 98 116.241 116.870 -0.629 1
1 884 . 17 1 1 A 98 98 LYS CA C 98 52.852 56.118 -3.266 1
1 885 . 17 1 1 A 98 98 LYS CB C 98 29.959 32.391 -2.432 1
1 886 . 17 1 1 A 98 98 LYS C C 98 173.361 176.318 -2.957 1
1 887 . 17 1 1 A 98 98 LYS HA H 98 4.280 4.400 -0.120 1
1 893 . 17 1 1 A 99 99 ASN H H 99 7.842 8.205 -0.363 1
1 894 . 17 1 1 A 99 99 ASN N N 99 113.000 116.403 -3.403 1
1 895 . 17 1 1 A 99 99 ASN CA C 99 52.240 54.635 -2.395 1
1 896 . 17 1 1 A 99 99 ASN CB C 99 35.289 37.973 -2.684 1
1 897 . 17 1 1 A 99 99 ASN C C 99 170.506 174.427 -3.921 1
1 898 . 17 1 1 A 99 99 ASN HA H 99 3.772 4.314 -0.542 1
1 904 . 17 1 1 A 100 100 TRP H H 100 6.369 7.910 -1.541 1
1 905 . 17 1 1 A 100 100 TRP N N 100 116.000 120.661 -4.661 1
1 906 . 17 1 1 A 100 100 TRP CA C 100 53.179 57.652 -4.473 1
1 907 . 17 1 1 A 100 100 TRP CB C 100 28.228 30.648 -2.420 1
1 908 . 17 1 1 A 100 100 TRP C C 100 171.701 176.174 -4.473 1
1 909 . 17 1 1 A 100 100 TRP HA H 100 4.816 4.897 -0.081 1
1 912 . 17 1 1 A 101 101 PHE H H 101 8.026 9.189 -1.163 1
1 913 . 17 1 1 A 101 101 PHE N N 101 124.185 121.148 3.037 1
1 914 . 17 1 1 A 101 101 PHE CA C 101 55.472 56.835 -1.363 1
1 915 . 17 1 1 A 101 101 PHE CB C 101 39.220 41.944 -2.724 1
1 916 . 17 1 1 A 101 101 PHE C C 101 175.044 174.713 0.331 1
1 917 . 17 1 1 A 101 101 PHE HA H 101 5.373 5.281 0.092 1
1 920 . 17 1 1 A 102 102 VAL H H 102 8.499 8.994 -0.495 1
1 921 . 17 1 1 A 102 102 VAL N N 102 120.282 118.456 1.826 1
1 922 . 17 1 1 A 102 102 VAL CA C 102 60.975 60.658 0.317 1
1 923 . 17 1 1 A 102 102 VAL CB C 102 30.243 32.898 -2.655 1
1 924 . 17 1 1 A 102 102 VAL C C 102 174.220 175.266 -1.046 1
1 925 . 17 1 1 A 102 102 VAL HA H 102 3.939 4.862 -0.923 1
1 930 . 17 1 1 A 103 103 GLY H H 103 8.996 8.745 0.251 1
1 931 . 17 1 1 A 103 103 GLY N N 103 114.668 112.882 1.786 1
1 932 . 17 1 1 A 103 103 GLY CA C 103 43.802 44.272 -0.470 1
1 933 . 17 1 1 A 103 103 GLY C C 103 169.388 171.881 -2.493 1
1 934 . 17 1 1 A 103 103 GLY HA2 H 103 5.275 4.557 0.718 1
1 935 . 17 1 1 A 103 103 GLY HA3 H 103 3.180 4.796 -1.616 1
1 936 . 17 1 1 A 104 104 LEU H H 104 8.118 8.849 -0.731 1
1 937 . 17 1 1 A 104 104 LEU N N 104 119.100 123.441 -4.341 1
1 938 . 17 1 1 A 104 104 LEU CA C 104 51.207 53.788 -2.581 1
1 939 . 17 1 1 A 104 104 LEU CB C 104 43.579 44.059 -0.480 1
1 940 . 17 1 1 A 104 104 LEU C C 104 174.252 176.095 -1.843 1
1 941 . 17 1 1 A 104 104 LEU HA H 104 4.959 4.997 -0.038 1
1 950 . 17 1 1 A 105 105 LYS H H 105 8.847 8.678 0.169 1
1 951 . 17 1 1 A 105 105 LYS N N 105 118.900 123.612 -4.712 1
1 952 . 17 1 1 A 105 105 LYS CA C 105 54.035 55.066 -1.031 1
1 953 . 17 1 1 A 105 105 LYS C C 105 176.404 176.590 -0.186 1
1 954 . 17 1 1 A 105 105 LYS HA H 105 4.215 4.666 -0.451 1
1 960 . 17 1 1 A 106 106 LYS H H 106 8.980 8.637 0.343 1
1 961 . 17 1 1 A 106 106 LYS N N 106 122.172 124.748 -2.576 1
1 962 . 17 1 1 A 106 106 LYS CA C 106 57.672 58.693 -1.021 1
1 963 . 17 1 1 A 106 106 LYS CB C 106 29.780 31.948 -2.168 1
1 964 . 17 1 1 A 106 106 LYS C C 106 174.499 179.092 -4.593 1
1 965 . 17 1 1 A 106 106 LYS HA H 106 3.624 4.099 -0.475 1
1 970 . 17 1 1 A 107 107 ASN H H 107 7.352 7.890 -0.538 1
1 971 . 17 1 1 A 107 107 ASN N N 107 112.743 118.523 -5.780 1
1 972 . 17 1 1 A 107 107 ASN CA C 107 49.523 55.321 -5.798 1
1 973 . 17 1 1 A 107 107 ASN CB C 107 35.121 38.152 -3.031 1
1 974 . 17 1 1 A 107 107 ASN C C 107 174.511 176.951 -2.440 1
1 975 . 17 1 1 A 107 107 ASN HA H 107 4.678 4.748 -0.070 1
1 978 . 17 1 1 A 108 108 GLY H H 108 7.656 7.919 -0.263 1
1 979 . 17 1 1 A 108 108 GLY N N 108 109.900 107.840 2.060 1
1 980 . 17 1 1 A 108 108 GLY CA C 108 42.207 45.784 -3.577 1
1 981 . 17 1 1 A 108 108 GLY C C 108 169.305 174.102 -4.797 1
1 982 . 17 1 1 A 108 108 GLY HA3 H 108 3.358 4.123 -0.765 1
1 983 . 17 1 1 A 108 108 GLY HA2 H 108 2.111 4.088 -1.977 1
1 984 . 17 1 1 A 109 109 SER H H 109 7.280 7.946 -0.666 1
1 985 . 17 1 1 A 109 109 SER N N 109 112.357 110.891 1.466 1
1 986 . 17 1 1 A 109 109 SER CA C 109 55.139 57.276 -2.137 1
1 987 . 17 1 1 A 109 109 SER CB C 109 62.749 66.267 -3.518 1
1 988 . 17 1 1 A 109 109 SER C C 109 171.244 172.490 -1.246 1
1 989 . 17 1 1 A 109 109 SER HA H 109 4.755 5.043 -0.288 1
1 992 . 17 1 1 A 110 110 CYS H H 110 9.070 9.087 -0.017 1
1 993 . 17 1 1 A 110 110 CYS N N 110 119.883 121.283 -1.400 1
1 994 . 17 1 1 A 110 110 CYS CA C 110 57.858 57.897 -0.039 1
1 995 . 17 1 1 A 110 110 CYS CB C 110 37.322 28.847 8.475 1
1 996 . 17 1 1 A 110 110 CYS C C 110 172.131 173.931 -1.800 1
1 997 . 17 1 1 A 110 110 CYS HA H 110 4.296 5.123 -0.827 1
1 1000 . 17 1 1 A 111 111 LYS H H 111 8.095 8.850 -0.755 1
1 1001 . 17 1 1 A 111 111 LYS N N 111 128.642 125.917 2.725 1
1 1002 . 17 1 1 A 111 111 LYS CA C 111 52.117 54.745 -2.628 1
1 1003 . 17 1 1 A 111 111 LYS CB C 111 30.980 34.347 -3.367 1
1 1004 . 17 1 1 A 111 111 LYS C C 111 172.265 175.965 -3.700 1
1 1005 . 17 1 1 A 111 111 LYS HA H 111 4.380 5.074 -0.694 1
1 1010 . 17 1 1 A 112 112 ARG H H 112 8.566 8.972 -0.406 1
1 1011 . 17 1 1 A 112 112 ARG N N 112 124.700 125.098 -0.398 1
1 1012 . 17 1 1 A 112 112 ARG CA C 112 54.295 55.189 -0.894 1
1 1013 . 17 1 1 A 112 112 ARG CB C 112 28.927 31.430 -2.503 1
1 1014 . 17 1 1 A 112 112 ARG C C 112 175.240 175.704 -0.464 1
1 1015 . 17 1 1 A 112 112 ARG HA H 112 4.252 4.754 -0.502 1
1 1021 . 17 1 1 A 113 113 GLY H H 113 9.408 8.492 0.916 1
1 1022 . 17 1 1 A 113 113 GLY N N 113 106.636 111.647 -5.011 1
1 1023 . 17 1 1 A 113 113 GLY CA C 113 44.552 45.722 -1.170 1
1 1024 . 17 1 1 A 113 113 GLY C C 113 169.610 174.542 -4.932 1
1 1025 . 17 1 1 A 113 113 GLY HA2 H 113 1.510 4.070 -2.560 1
1 1026 . 17 1 1 A 114 114 PRO CA C 114 62.529 63.785 -1.256 1
1 1027 . 17 1 1 A 114 114 PRO C C 114 174.543 176.866 -2.323 1
1 1028 . 17 1 1 A 114 114 PRO HA H 114 4.321 4.102 0.219 1
1 1033 . 17 1 1 A 115 115 ARG H H 115 8.067 8.245 -0.178 1
1 1034 . 17 1 1 A 115 115 ARG N N 115 114.500 115.916 -1.416 1
1 1035 . 17 1 1 A 115 115 ARG CA C 115 52.011 55.375 -3.364 1
1 1036 . 17 1 1 A 115 115 ARG CB C 115 27.143 31.482 -4.339 1
1 1037 . 17 1 1 A 115 115 ARG C C 115 174.680 175.823 -1.143 1
1 1038 . 17 1 1 A 115 115 ARG HA H 115 4.508 4.190 0.318 1
1 1043 . 17 1 1 A 116 116 THR H H 116 7.643 7.187 0.456 1
1 1044 . 17 1 1 A 116 116 THR N N 116 111.716 111.034 0.682 1
1 1045 . 17 1 1 A 116 116 THR CA C 116 58.712 61.024 -2.312 1
1 1046 . 17 1 1 A 116 116 THR CB C 116 70.086 70.360 -0.274 1
1 1047 . 17 1 1 A 116 116 THR C C 116 172.573 173.463 -0.890 1
1 1048 . 17 1 1 A 116 116 THR HA H 116 5.198 4.796 0.402 1
1 1053 . 17 1 1 A 117 117 HIS H H 117 7.091 8.214 -1.123 1
1 1054 . 17 1 1 A 117 117 HIS N N 117 112.914 118.654 -5.740 1
1 1055 . 17 1 1 A 117 117 HIS CA C 117 53.291 54.538 -1.247 1
1 1056 . 17 1 1 A 117 117 HIS CB C 117 29.133 31.244 -2.111 1
1 1057 . 17 1 1 A 117 117 HIS C C 117 170.344 171.609 -1.265 1
1 1058 . 17 1 1 A 117 117 HIS HA H 117 4.868 3.771 1.097 1
1 1061 . 17 1 1 A 118 118 TYR H H 118 9.020 8.526 0.494 1
1 1062 . 17 1 1 A 118 118 TYR N N 118 123.051 118.323 4.728 1
1 1063 . 17 1 1 A 118 118 TYR CA C 118 58.801 56.557 2.244 1
1 1064 . 17 1 1 A 118 118 TYR CB C 118 29.959 36.639 -6.680 1
1 1065 . 17 1 1 A 118 118 TYR C C 118 174.446 175.938 -1.492 1
1 1066 . 17 1 1 A 118 118 TYR HA H 118 3.897 4.467 -0.570 1
1 1069 . 17 1 1 A 119 119 GLY H H 119 7.999 8.746 -0.747 1
1 1070 . 17 1 1 A 119 119 GLY N N 119 116.885 111.972 4.913 1
1 1071 . 17 1 1 A 119 119 GLY CA C 119 42.599 45.732 -3.133 1
1 1072 . 17 1 1 A 119 119 GLY C C 119 172.439 173.544 -1.105 1
1 1073 . 17 1 1 A 119 119 GLY HA3 H 119 4.385 3.942 0.443 1
1 1074 . 17 1 1 A 119 119 GLY HA2 H 119 3.296 3.702 -0.406 1
1 1075 . 17 1 1 A 120 120 GLN H H 120 7.003 6.984 0.019 1
1 1076 . 17 1 1 A 120 120 GLN N N 120 118.266 118.665 -0.399 1
1 1077 . 17 1 1 A 120 120 GLN CA C 120 52.617 53.853 -1.236 1
1 1078 . 17 1 1 A 120 120 GLN CB C 120 27.324 32.315 -4.991 1
1 1079 . 17 1 1 A 120 120 GLN C C 120 174.995 175.597 -0.602 1
1 1080 . 17 1 1 A 120 120 GLN HA H 120 4.262 4.645 -0.383 1
1 1083 . 17 1 1 A 121 121 LYS H H 121 8.477 8.712 -0.235 1
1 1084 . 17 1 1 A 121 121 LYS N N 121 121.222 124.215 -2.993 1
1 1085 . 17 1 1 A 121 121 LYS CA C 121 56.243 57.182 -0.939 1
1 1086 . 17 1 1 A 121 121 LYS CB C 121 29.598 32.501 -2.903 1
1 1087 . 17 1 1 A 121 121 LYS C C 121 172.702 177.882 -5.180 1
1 1088 . 17 1 1 A 121 121 LYS HA H 121 3.809 4.163 -0.354 1
1 1093 . 17 1 1 A 122 122 ALA H H 122 7.526 7.557 -0.031 1
1 1094 . 17 1 1 A 122 122 ALA N N 122 116.019 121.668 -5.649 1
1 1095 . 17 1 1 A 122 122 ALA CA C 122 52.338 53.237 -0.899 1
1 1096 . 17 1 1 A 122 122 ALA CB C 122 18.675 18.394 0.281 1
1 1097 . 17 1 1 A 122 122 ALA C C 122 172.756 177.701 -4.945 1
1 1098 . 17 1 1 A 122 122 ALA HA H 122 3.947 4.746 -0.799 1
1 1102 . 17 1 1 A 123 123 ILE H H 123 5.794 7.401 -1.607 1
1 1103 . 17 1 1 A 123 123 ILE N N 123 101.200 115.833 -14.633 1
1 1104 . 17 1 1 A 123 123 ILE CA C 123 57.297 60.782 -3.485 1
1 1105 . 17 1 1 A 123 123 ILE CB C 123 35.425 37.295 -1.870 1
1 1106 . 17 1 1 A 123 123 ILE C C 123 172.790 174.951 -2.161 1
1 1107 . 17 1 1 A 123 123 ILE HA H 123 5.184 4.030 1.154 1
1 1116 . 17 1 1 A 124 124 LEU H H 124 6.716 6.701 0.015 1
1 1117 . 17 1 1 A 124 124 LEU N N 124 121.554 122.112 -0.558 1
1 1118 . 17 1 1 A 124 124 LEU CA C 124 51.686 53.294 -1.608 1
1 1119 . 17 1 1 A 124 124 LEU CB C 124 39.622 42.290 -2.668 1
1 1120 . 17 1 1 A 124 124 LEU C C 124 173.411 175.619 -2.208 1
1 1121 . 17 1 1 A 124 124 LEU HA H 124 4.597 4.025 0.572 1
1 1130 . 17 1 1 A 125 125 PHE H H 125 9.226 8.619 0.607 1
1 1131 . 17 1 1 A 125 125 PHE N N 125 121.900 123.115 -1.215 1
1 1132 . 17 1 1 A 125 125 PHE CA C 125 54.604 56.107 -1.503 1
1 1133 . 17 1 1 A 125 125 PHE CB C 125 41.692 43.446 -1.754 1
1 1134 . 17 1 1 A 125 125 PHE C C 125 172.768 174.668 -1.900 1
1 1135 . 17 1 1 A 125 125 PHE HA H 125 5.612 5.382 0.230 1
1 1138 . 17 1 1 A 126 126 LEU H H 126 9.932 9.123 0.809 1
1 1139 . 17 1 1 A 126 126 LEU N N 126 125.427 123.207 2.220 1
1 1140 . 17 1 1 A 126 126 LEU CA C 126 48.875 51.593 -2.718 1
1 1141 . 17 1 1 A 127 127 PRO CA C 127 58.907 62.327 -3.420 1
1 1142 . 17 1 1 A 127 127 PRO CB C 127 28.730 32.359 -3.629 1
1 1143 . 17 1 1 A 127 127 PRO C C 127 174.541 176.231 -1.690 1
1 1144 . 17 1 1 A 127 127 PRO HA H 127 5.587 5.325 0.262 1
1 1147 . 17 1 1 A 128 128 LEU H H 128 9.674 8.707 0.967 1
1 1148 . 17 1 1 A 128 128 LEU N N 128 129.196 123.100 6.096 1
1 1149 . 17 1 1 A 128 128 LEU CA C 128 49.523 51.535 -2.012 1
1 1150 . 17 1 1 A 128 128 LEU C C 128 175.960 175.112 0.848 1
1 1151 . 17 1 1 A 129 129 PRO CA C 129 60.043 62.190 -2.147 1
1 1152 . 17 1 1 A 129 129 PRO CB C 129 29.800 32.265 -2.465 1
1 1153 . 17 1 1 A 129 129 PRO C C 129 174.414 176.438 -2.024 1
1 1154 . 17 1 1 A 129 129 PRO HA H 129 4.710 4.664 0.046 1
1 1160 . 17 1 1 A 130 130 VAL H H 130 7.992 8.064 -0.072 1
1 1161 . 17 1 1 A 130 130 VAL N N 130 118.275 121.627 -3.352 1
1 1162 . 17 1 1 A 130 130 VAL CA C 130 61.494 62.209 -0.715 1
1 1163 . 17 1 1 A 130 130 VAL CB C 130 29.649 31.454 -1.805 1
1 1164 . 17 1 1 A 130 130 VAL C C 130 174.097 176.010 -1.913 1
1 1165 . 17 1 1 A 130 130 VAL HA H 130 3.794 4.021 -0.227 1
1 1173 . 17 1 1 A 131 131 SER H H 131 7.844 8.567 -0.723 1
1 1174 . 17 1 1 A 131 131 SER N N 131 115.853 123.723 -7.870 1
1 1175 . 17 1 1 A 131 131 SER CA C 131 55.233 58.484 -3.251 1
1 1176 . 17 1 1 A 131 131 SER CB C 131 61.375 63.754 -2.379 1
1 1177 . 17 1 1 A 131 131 SER C C 131 173.574 173.140 0.434 1
1 1178 . 17 1 1 A 131 131 SER HA H 131 4.218 4.582 -0.364 1
1 1181 . 17 1 1 A 132 132 SER H H 132 8.196 8.490 -0.294 1
1 1182 . 17 1 1 A 132 132 SER N N 132 118.100 120.219 -2.119 1
1 1183 . 17 1 1 A 132 132 SER CA C 132 56.021 56.146 -0.125 1
1 1184 . 17 1 1 A 132 132 SER CB C 132 61.848 64.350 -2.502 1
1 1185 . 17 1 1 A 132 132 SER C C 132 170.997 172.653 -1.656 1
1 1186 . 17 1 1 A 132 132 SER HA H 132 4.484 4.209 0.275 1
1 12 . 18 1 1 A 2 2 LYS H H 2 7.955 6.968 0.987 1
1 13 . 18 1 1 A 2 2 LYS N N 2 120.000 121.205 -1.205 1
1 14 . 18 1 1 A 2 2 LYS CA C 2 51.913 56.459 -4.546 1
1 15 . 18 1 1 A 2 2 LYS C C 2 174.300 175.541 -1.241 1
1 16 . 18 1 1 A 2 2 LYS HA H 2 4.270 4.145 0.125 1
1 18 . 18 1 1 A 3 3 LYS H H 3 7.960 8.771 -0.811 1
1 19 . 18 1 1 A 3 3 LYS N N 3 119.640 122.698 -3.058 1
1 20 . 18 1 1 A 3 3 LYS CA C 3 51.900 54.816 -2.916 1
1 21 . 18 1 1 A 3 3 LYS HA H 3 4.600 4.764 -0.164 1
1 24 . 18 1 1 A 4 4 PRO CA C 4 60.687 63.509 -2.822 1
1 25 . 18 1 1 A 4 4 PRO C C 4 172.359 176.894 -4.535 1
1 26 . 18 1 1 A 4 4 PRO CB C 4 30.627 32.012 -1.385 1
1 27 . 18 1 1 A 4 4 PRO HA H 4 4.716 4.429 0.287 1
1 29 . 18 1 1 A 5 5 LYS H H 5 9.357 8.998 0.359 1
1 30 . 18 1 1 A 5 5 LYS N N 5 119.100 121.177 -2.077 1
1 31 . 18 1 1 A 5 5 LYS CA C 5 51.445 55.016 -3.571 1
1 32 . 18 1 1 A 5 5 LYS CB C 5 34.945 33.910 1.035 1
1 33 . 18 1 1 A 5 5 LYS C C 5 171.776 175.559 -3.783 1
1 34 . 18 1 1 A 5 5 LYS HA H 5 5.062 4.793 0.269 1
1 37 . 18 1 1 A 6 6 LEU H H 6 8.944 9.112 -0.168 1
1 38 . 18 1 1 A 6 6 LEU N N 6 117.400 123.504 -6.104 1
1 39 . 18 1 1 A 6 6 LEU CA C 6 50.259 53.615 -3.356 1
1 40 . 18 1 1 A 6 6 LEU CB C 6 41.472 44.788 -3.316 1
1 41 . 18 1 1 A 6 6 LEU C C 6 174.676 175.212 -0.536 1
1 42 . 18 1 1 A 6 6 LEU HA H 6 4.984 5.008 -0.024 1
1 51 . 18 1 1 A 7 7 LEU H H 7 10.297 8.829 1.468 1
1 52 . 18 1 1 A 7 7 LEU N N 7 125.000 127.509 -2.509 1
1 53 . 18 1 1 A 7 7 LEU CA C 7 53.596 53.463 0.133 1
1 54 . 18 1 1 A 7 7 LEU C C 7 172.290 175.261 -2.971 1
1 55 . 18 1 1 A 7 7 LEU HA H 7 5.083 4.994 0.089 1
1 65 . 18 1 1 A 8 8 TYR H H 8 8.483 8.779 -0.296 1
1 66 . 18 1 1 A 8 8 TYR N N 8 125.000 128.706 -3.706 1
1 67 . 18 1 1 A 8 8 TYR CA C 8 54.761 56.370 -1.609 1
1 68 . 18 1 1 A 8 8 TYR CB C 8 37.988 39.878 -1.890 1
1 69 . 18 1 1 A 8 8 TYR C C 8 171.270 174.282 -3.012 1
1 70 . 18 1 1 A 8 8 TYR HA H 8 4.592 5.152 -0.560 1
1 73 . 18 1 1 A 9 9 CYS H H 9 9.235 9.098 0.137 1
1 74 . 18 1 1 A 9 9 CYS N N 9 130.104 128.524 1.580 1
1 75 . 18 1 1 A 9 9 CYS CA C 9 55.588 58.711 -3.123 1
1 76 . 18 1 1 A 9 9 CYS CB C 9 26.864 28.594 -1.730 1
1 77 . 18 1 1 A 9 9 CYS C C 9 172.619 174.423 -1.804 1
1 78 . 18 1 1 A 9 9 CYS HA H 9 4.163 4.774 -0.611 1
1 82 . 18 1 1 A 10 10 SER H H 10 8.173 8.668 -0.495 1
1 83 . 18 1 1 A 10 10 SER N N 10 122.600 119.315 3.285 1
1 84 . 18 1 1 A 10 10 SER CA C 10 57.853 58.688 -0.835 1
1 85 . 18 1 1 A 10 10 SER CB C 10 61.820 63.402 -1.582 1
1 86 . 18 1 1 A 10 10 SER C C 10 172.210 174.024 -1.814 1
1 87 . 18 1 1 A 10 10 SER HA H 10 3.920 4.612 -0.692 1
1 89 . 18 1 1 A 11 11 ASN H H 11 7.450 8.560 -1.110 1
1 90 . 18 1 1 A 11 11 ASN N N 11 119.550 123.418 -3.868 1
1 91 . 18 1 1 A 11 11 ASN CA C 11 52.430 52.888 -0.458 1
1 92 . 18 1 1 A 11 11 ASN HA H 11 4.360 4.884 -0.524 1
1 94 . 18 1 1 A 12 12 GLY C C 12 171.806 172.320 -0.514 1
1 95 . 18 1 1 A 12 12 GLY CA C 12 41.915 45.516 -3.601 1
1 96 . 18 1 1 A 12 12 GLY HA3 H 12 3.927 4.289 -0.362 1
1 97 . 18 1 1 A 12 12 GLY H H 12 7.096 8.436 -1.340 1
1 98 . 18 1 1 A 12 12 GLY N N 12 109.300 112.495 -3.195 1
1 99 . 18 1 1 A 13 13 GLY H H 13 7.096 8.011 -0.915 1
1 100 . 18 1 1 A 13 13 GLY N N 13 109.300 109.084 0.216 1
1 101 . 18 1 1 A 13 13 GLY CA C 13 44.272 45.312 -1.040 1
1 102 . 18 1 1 A 13 13 GLY C C 13 170.445 171.907 -1.462 1
1 103 . 18 1 1 A 13 13 GLY HA2 H 13 3.598 3.862 -0.264 1
1 104 . 18 1 1 A 13 13 GLY HA3 H 13 3.204 3.993 -0.789 1
1 105 . 18 1 1 A 14 14 HIS H H 14 6.302 8.385 -2.083 1
1 106 . 18 1 1 A 14 14 HIS N N 14 113.600 122.248 -8.648 1
1 107 . 18 1 1 A 14 14 HIS CA C 14 54.319 54.135 0.184 1
1 108 . 18 1 1 A 14 14 HIS CB C 14 31.792 34.239 -2.447 1
1 109 . 18 1 1 A 14 14 HIS C C 14 171.281 173.503 -2.222 1
1 110 . 18 1 1 A 14 14 HIS HA H 14 4.104 4.831 -0.727 1
1 113 . 18 1 1 A 15 15 PHE H H 15 9.298 8.892 0.406 1
1 114 . 18 1 1 A 15 15 PHE N N 15 120.700 117.939 2.761 1
1 115 . 18 1 1 A 15 15 PHE CA C 15 54.273 56.227 -1.954 1
1 116 . 18 1 1 A 15 15 PHE CB C 15 37.632 42.233 -4.601 1
1 117 . 18 1 1 A 15 15 PHE C C 15 173.938 174.558 -0.620 1
1 118 . 18 1 1 A 15 15 PHE HA H 15 5.390 4.915 0.475 1
1 121 . 18 1 1 A 16 16 LEU H H 16 8.480 8.854 -0.374 1
1 122 . 18 1 1 A 16 16 LEU N N 16 124.700 124.871 -0.171 1
1 123 . 18 1 1 A 16 16 LEU CA C 16 54.440 54.879 -0.439 1
1 124 . 18 1 1 A 16 16 LEU C C 16 171.758 176.143 -4.385 1
1 125 . 18 1 1 A 16 16 LEU CB C 16 41.301 42.897 -1.596 1
1 126 . 18 1 1 A 16 16 LEU HA H 16 4.394 5.314 -0.920 1
1 129 . 18 1 1 A 17 17 ARG H H 17 9.339 9.351 -0.012 1
1 130 . 18 1 1 A 17 17 ARG N N 17 126.971 123.868 3.103 1
1 131 . 18 1 1 A 17 17 ARG CA C 17 53.301 54.182 -0.881 1
1 132 . 18 1 1 A 17 17 ARG CB C 17 32.620 33.856 -1.236 1
1 133 . 18 1 1 A 17 17 ARG C C 17 171.302 175.162 -3.860 1
1 134 . 18 1 1 A 17 17 ARG HA H 17 4.715 5.085 -0.370 1
1 141 . 18 1 1 A 18 18 ILE H H 18 6.989 8.515 -1.526 1
1 142 . 18 1 1 A 18 18 ILE N N 18 120.966 119.021 1.945 1
1 143 . 18 1 1 A 18 18 ILE CA C 18 57.903 60.296 -2.393 1
1 144 . 18 1 1 A 18 18 ILE C C 18 173.747 174.655 -0.908 1
1 145 . 18 1 1 A 18 18 ILE HA H 18 4.563 5.026 -0.463 1
1 150 . 18 1 1 A 19 19 LEU H H 19 8.940 8.870 0.070 1
1 151 . 18 1 1 A 19 19 LEU N N 19 128.097 127.136 0.961 1
1 152 . 18 1 1 A 19 19 LEU CA C 19 51.419 51.315 0.104 1
1 153 . 18 1 1 A 20 20 PRO CA C 20 62.710 63.972 -1.262 1
1 154 . 18 1 1 A 20 20 PRO CB C 20 29.518 31.902 -2.384 1
1 155 . 18 1 1 A 20 20 PRO C C 20 173.966 176.646 -2.680 1
1 156 . 18 1 1 A 20 20 PRO HA H 20 4.319 4.587 -0.268 1
1 161 . 18 1 1 A 21 21 ASP H H 21 7.415 7.973 -0.558 1
1 162 . 18 1 1 A 21 21 ASP N N 21 114.000 118.108 -4.108 1
1 163 . 18 1 1 A 21 21 ASP CA C 21 51.361 53.731 -2.370 1
1 164 . 18 1 1 A 21 21 ASP CB C 21 37.419 41.508 -4.089 1
1 165 . 18 1 1 A 21 21 ASP C C 21 174.570 176.743 -2.173 1
1 166 . 18 1 1 A 21 21 ASP HA H 21 4.513 4.721 -0.208 1
1 169 . 18 1 1 A 22 22 GLY H H 22 8.404 8.777 -0.373 1
1 170 . 18 1 1 A 22 22 GLY N N 22 109.100 107.659 1.441 1
1 171 . 18 1 1 A 22 22 GLY CA C 22 43.166 46.423 -3.257 1
1 172 . 18 1 1 A 22 22 GLY C C 22 172.565 174.233 -1.668 1
1 173 . 18 1 1 A 22 22 GLY HA3 H 22 4.632 4.055 0.577 1
1 174 . 18 1 1 A 22 22 GLY HA2 H 22 3.838 3.976 -0.138 1
1 175 . 18 1 1 A 23 23 THR H H 23 7.894 7.463 0.431 1
1 176 . 18 1 1 A 23 23 THR N N 23 116.800 114.132 2.668 1
1 177 . 18 1 1 A 23 23 THR CA C 23 61.304 61.488 -0.184 1
1 178 . 18 1 1 A 23 23 THR CB C 23 67.455 71.835 -4.380 1
1 179 . 18 1 1 A 23 23 THR C C 23 170.170 172.887 -2.717 1
1 180 . 18 1 1 A 23 23 THR HA H 23 4.489 4.889 -0.400 1
1 185 . 18 1 1 A 24 24 VAL H H 24 7.792 8.917 -1.125 1
1 186 . 18 1 1 A 24 24 VAL N N 24 123.100 125.356 -2.256 1
1 187 . 18 1 1 A 24 24 VAL CA C 24 58.203 59.979 -1.776 1
1 188 . 18 1 1 A 24 24 VAL CB C 24 31.847 34.008 -2.161 1
1 189 . 18 1 1 A 24 24 VAL C C 24 171.629 174.526 -2.897 1
1 190 . 18 1 1 A 24 24 VAL HA H 24 5.084 5.283 -0.199 1
1 195 . 18 1 1 A 25 25 ASP H H 25 8.906 8.782 0.124 1
1 196 . 18 1 1 A 25 25 ASP N N 25 131.200 126.012 5.188 1
1 197 . 18 1 1 A 25 25 ASP CA C 25 50.847 52.271 -1.424 1
1 198 . 18 1 1 A 25 25 ASP CB C 25 38.730 44.492 -5.762 1
1 199 . 18 1 1 A 25 25 ASP C C 25 170.281 175.202 -4.921 1
1 200 . 18 1 1 A 25 25 ASP HA H 25 4.313 5.341 -1.028 1
1 203 . 18 1 1 A 26 26 GLY H H 26 7.891 8.625 -0.734 1
1 204 . 18 1 1 A 26 26 GLY N N 26 102.500 106.443 -3.943 1
1 205 . 18 1 1 A 26 26 GLY CA C 26 42.057 45.194 -3.137 1
1 206 . 18 1 1 A 26 26 GLY C C 26 169.975 172.992 -3.017 1
1 207 . 18 1 1 A 26 26 GLY HA3 H 26 5.529 4.128 1.401 1
1 208 . 18 1 1 A 26 26 GLY HA2 H 26 3.015 4.077 -1.062 1
1 209 . 18 1 1 A 27 27 THR H H 27 8.529 9.359 -0.830 1
1 210 . 18 1 1 A 27 27 THR N N 27 112.700 118.918 -6.218 1
1 211 . 18 1 1 A 27 27 THR CA C 27 56.740 61.268 -4.528 1
1 212 . 18 1 1 A 27 27 THR CB C 27 67.326 72.632 -5.306 1
1 213 . 18 1 1 A 27 27 THR C C 27 170.554 173.178 -2.624 1
1 214 . 18 1 1 A 27 27 THR HA H 27 5.189 5.119 0.070 1
1 219 . 18 1 1 A 28 28 ARG H H 28 8.993 8.469 0.524 1
1 220 . 18 1 1 A 28 28 ARG N N 28 127.500 124.854 2.646 1
1 221 . 18 1 1 A 28 28 ARG CA C 28 54.938 55.917 -0.979 1
1 222 . 18 1 1 A 28 28 ARG CB C 28 37.260 30.893 6.367 1
1 223 . 18 1 1 A 28 28 ARG C C 28 173.450 175.477 -2.027 1
1 224 . 18 1 1 A 28 28 ARG HA H 28 4.691 5.072 -0.381 1
1 227 . 18 1 1 A 29 29 ASP H H 29 8.323 8.714 -0.391 1
1 228 . 18 1 1 A 29 29 ASP N N 29 121.000 125.893 -4.893 1
1 229 . 18 1 1 A 29 29 ASP CA C 29 50.779 53.245 -2.466 1
1 230 . 18 1 1 A 29 29 ASP C C 29 172.275 175.248 -2.973 1
1 231 . 18 1 1 A 29 29 ASP HA H 29 4.661 5.346 -0.685 1
1 234 . 18 1 1 A 30 30 ARG H H 30 8.342 8.784 -0.442 1
1 235 . 18 1 1 A 30 30 ARG N N 30 126.100 125.593 0.507 1
1 236 . 18 1 1 A 30 30 ARG CA C 30 54.924 55.562 -0.638 1
1 237 . 18 1 1 A 30 30 ARG CB C 30 28.367 31.095 -2.728 1
1 238 . 18 1 1 A 30 30 ARG C C 30 173.454 177.215 -3.761 1
1 239 . 18 1 1 A 30 30 ARG HA H 30 3.592 4.433 -0.841 1
1 243 . 18 1 1 A 31 31 SER H H 31 8.379 8.153 0.226 1
1 244 . 18 1 1 A 31 31 SER N N 31 113.600 114.771 -1.171 1
1 245 . 18 1 1 A 31 31 SER CA C 31 55.918 59.153 -3.235 1
1 246 . 18 1 1 A 31 31 SER CB C 31 61.807 63.714 -1.907 1
1 247 . 18 1 1 A 31 31 SER C C 31 171.758 173.593 -1.835 1
1 248 . 18 1 1 A 31 31 SER HA H 31 4.397 4.469 -0.072 1
1 251 . 18 1 1 A 32 32 ASP H H 32 7.105 7.941 -0.836 1
1 252 . 18 1 1 A 32 32 ASP N N 32 125.000 121.673 3.327 1
1 253 . 18 1 1 A 32 32 ASP CA C 32 53.116 52.099 1.017 1
1 254 . 18 1 1 A 32 32 ASP CB C 32 41.585 43.775 -2.190 1
1 255 . 18 1 1 A 32 32 ASP C C 32 174.497 175.412 -0.915 1
1 256 . 18 1 1 A 32 32 ASP HA H 32 4.276 5.044 -0.768 1
1 259 . 18 1 1 A 33 33 GLN H H 33 8.775 8.561 0.214 1
1 260 . 18 1 1 A 33 33 GLN N N 33 124.700 121.618 3.082 1
1 261 . 18 1 1 A 33 33 GLN CA C 33 55.127 55.024 0.103 1
1 262 . 18 1 1 A 33 33 GLN CB C 33 26.601 29.195 -2.594 1
1 263 . 18 1 1 A 33 33 GLN C C 33 174.900 176.056 -1.156 1
1 264 . 18 1 1 A 33 33 GLN HA H 33 4.061 4.684 -0.623 1
1 271 . 18 1 1 A 34 34 HIS H H 34 9.681 7.970 1.711 1
1 272 . 18 1 1 A 34 34 HIS N N 34 116.700 117.954 -1.254 1
1 273 . 18 1 1 A 34 34 HIS CA C 34 55.739 58.781 -3.042 1
1 274 . 18 1 1 A 34 34 HIS CB C 34 26.065 31.107 -5.042 1
1 275 . 18 1 1 A 34 34 HIS C C 34 172.307 176.115 -3.808 1
1 276 . 18 1 1 A 34 34 HIS HA H 34 4.885 4.489 0.396 1
1 279 . 18 1 1 A 35 35 ILE H H 35 6.711 7.412 -0.701 1
1 280 . 18 1 1 A 35 35 ILE N N 35 108.600 109.163 -0.563 1
1 281 . 18 1 1 A 35 35 ILE CA C 35 58.395 60.600 -2.205 1
1 282 . 18 1 1 A 35 35 ILE CB C 35 35.989 37.134 -1.145 1
1 283 . 18 1 1 A 35 35 ILE C C 35 172.249 175.840 -3.591 1
1 284 . 18 1 1 A 35 35 ILE HA H 35 5.114 4.644 0.470 1
1 293 . 18 1 1 A 36 36 GLN H H 36 7.148 7.942 -0.794 1
1 294 . 18 1 1 A 36 36 GLN N N 36 120.018 121.157 -1.139 1
1 295 . 18 1 1 A 36 36 GLN CA C 36 55.111 54.891 0.220 1
1 296 . 18 1 1 A 36 36 GLN CB C 36 25.190 29.937 -4.747 1
1 297 . 18 1 1 A 36 36 GLN C C 36 172.952 174.850 -1.898 1
1 298 . 18 1 1 A 36 36 GLN HA H 36 4.261 4.881 -0.620 1
1 305 . 18 1 1 A 37 37 LEU H H 37 9.110 8.815 0.295 1
1 306 . 18 1 1 A 37 37 LEU N N 37 127.600 123.330 4.270 1
1 307 . 18 1 1 A 37 37 LEU CA C 37 51.329 52.861 -1.532 1
1 308 . 18 1 1 A 37 37 LEU CB C 37 42.165 45.024 -2.859 1
1 309 . 18 1 1 A 37 37 LEU C C 37 172.877 174.910 -2.033 1
1 310 . 18 1 1 A 37 37 LEU HA H 37 5.315 5.139 0.176 1
1 319 . 18 1 1 A 38 38 GLN H H 38 9.556 9.133 0.423 1
1 320 . 18 1 1 A 38 38 GLN N N 38 120.583 121.263 -0.680 1
1 321 . 18 1 1 A 38 38 GLN CA C 38 51.810 55.010 -3.200 1
1 322 . 18 1 1 A 38 38 GLN CB C 38 29.259 29.594 -0.335 1
1 323 . 18 1 1 A 38 38 GLN C C 38 172.676 174.341 -1.665 1
1 324 . 18 1 1 A 38 38 GLN HA H 38 4.623 4.539 0.084 1
1 328 . 18 1 1 A 39 39 LEU H H 39 8.926 9.002 -0.076 1
1 329 . 18 1 1 A 39 39 LEU N N 39 131.700 129.365 2.335 1
1 330 . 18 1 1 A 39 39 LEU CA C 39 53.062 53.649 -0.587 1
1 331 . 18 1 1 A 39 39 LEU C C 39 174.601 175.747 -1.146 1
1 332 . 18 1 1 A 39 39 LEU HA H 39 5.506 5.010 0.496 1
1 341 . 18 1 1 A 40 40 SER H H 40 8.569 8.860 -0.291 1
1 342 . 18 1 1 A 40 40 SER N N 40 115.900 120.593 -4.693 1
1 343 . 18 1 1 A 40 40 SER CA C 40 54.925 55.403 -0.478 1
1 344 . 18 1 1 A 40 40 SER CB C 40 46.694 66.326 -19.632 1
1 345 . 18 1 1 A 40 40 SER C C 40 170.046 173.526 -3.480 1
1 346 . 18 1 1 A 40 40 SER HA H 40 4.676 5.441 -0.765 1
1 349 . 18 1 1 A 41 41 ALA H H 41 8.357 8.545 -0.188 1
1 350 . 18 1 1 A 41 41 ALA N N 41 125.900 123.932 1.968 1
1 351 . 18 1 1 A 41 41 ALA CA C 41 49.309 50.645 -1.336 1
1 352 . 18 1 1 A 41 41 ALA CB C 41 27.376 20.203 7.173 1
1 353 . 18 1 1 A 41 41 ALA C C 41 175.352 177.195 -1.843 1
1 354 . 18 1 1 A 41 41 ALA HA H 41 5.016 4.753 0.263 1
1 358 . 18 1 1 A 42 42 GLU H H 42 8.485 9.049 -0.564 1
1 359 . 18 1 1 A 42 42 GLU N N 42 125.400 126.298 -0.898 1
1 360 . 18 1 1 A 42 42 GLU CA C 42 54.611 57.392 -2.781 1
1 361 . 18 1 1 A 42 42 GLU CB C 42 28.181 31.196 -3.015 1
1 362 . 18 1 1 A 42 42 GLU C C 42 174.014 176.010 -1.996 1
1 363 . 18 1 1 A 42 42 GLU HA H 42 4.444 4.477 -0.033 1
1 368 . 18 1 1 A 43 43 SER H H 43 8.020 7.954 0.066 1
1 369 . 18 1 1 A 43 43 SER N N 43 113.900 114.668 -0.768 1
1 370 . 18 1 1 A 43 43 SER CA C 43 55.014 57.374 -2.360 1
1 371 . 18 1 1 A 43 43 SER CB C 43 61.687 65.717 -4.030 1
1 372 . 18 1 1 A 43 43 SER C C 43 171.119 174.343 -3.224 1
1 373 . 18 1 1 A 43 43 SER HA H 43 4.516 4.773 -0.257 1
1 376 . 18 1 1 A 44 44 VAL H H 44 8.113 8.196 -0.083 1
1 377 . 18 1 1 A 44 44 VAL N N 44 121.100 123.642 -2.542 1
1 378 . 18 1 1 A 44 44 VAL CA C 44 62.838 65.487 -2.649 1
1 379 . 18 1 1 A 44 44 VAL CB C 44 28.991 31.260 -2.269 1
1 380 . 18 1 1 A 44 44 VAL C C 44 175.533 177.139 -1.606 1
1 381 . 18 1 1 A 44 44 VAL HA H 44 3.868 3.546 0.322 1
1 389 . 18 1 1 A 45 45 GLY H H 45 8.807 8.845 -0.038 1
1 390 . 18 1 1 A 45 45 GLY N N 45 115.545 115.141 0.404 1
1 391 . 18 1 1 A 45 45 GLY CA C 45 43.553 45.072 -1.519 1
1 392 . 18 1 1 A 45 45 GLY C C 45 170.948 173.869 -2.921 1
1 393 . 18 1 1 A 45 45 GLY HA3 H 45 4.296 4.080 0.216 1
1 394 . 18 1 1 A 45 45 GLY HA2 H 45 3.995 4.067 -0.072 1
1 395 . 18 1 1 A 46 46 GLU H H 46 7.985 7.656 0.329 1
1 396 . 18 1 1 A 46 46 GLU N N 46 121.200 117.281 3.919 1
1 397 . 18 1 1 A 46 46 GLU CA C 46 52.751 55.366 -2.615 1
1 398 . 18 1 1 A 46 46 GLU CB C 46 29.432 31.991 -2.559 1
1 399 . 18 1 1 A 46 46 GLU C C 46 173.583 175.603 -2.020 1
1 400 . 18 1 1 A 46 46 GLU HA H 46 5.442 4.945 0.497 1
1 405 . 18 1 1 A 47 47 VAL H H 47 9.560 9.132 0.428 1
1 406 . 18 1 1 A 47 47 VAL N N 47 116.400 118.205 -1.805 1
1 407 . 18 1 1 A 47 47 VAL CA C 47 56.846 59.716 -2.870 1
1 408 . 18 1 1 A 47 47 VAL CB C 47 33.714 34.729 -1.015 1
1 409 . 18 1 1 A 47 47 VAL C C 47 172.960 173.515 -0.555 1
1 410 . 18 1 1 A 47 47 VAL HA H 47 5.505 5.024 0.481 1
1 418 . 18 1 1 A 48 48 TYR H H 48 8.415 9.285 -0.870 1
1 419 . 18 1 1 A 48 48 TYR N N 48 117.400 125.899 -8.499 1
1 420 . 18 1 1 A 48 48 TYR CA C 48 54.331 55.704 -1.373 1
1 421 . 18 1 1 A 48 48 TYR CB C 48 39.296 41.644 -2.348 1
1 422 . 18 1 1 A 48 48 TYR C C 48 173.423 173.645 -0.222 1
1 423 . 18 1 1 A 48 48 TYR HA H 48 5.290 5.321 -0.031 1
1 426 . 18 1 1 A 49 49 ILE H H 49 10.532 8.588 1.944 1
1 427 . 18 1 1 A 49 49 ILE N N 49 123.100 127.929 -4.829 1
1 428 . 18 1 1 A 49 49 ILE CA C 49 59.573 59.731 -0.158 1
1 429 . 18 1 1 A 49 49 ILE CB C 49 40.504 38.640 1.864 1
1 430 . 18 1 1 A 49 49 ILE C C 49 170.853 174.664 -3.811 1
1 431 . 18 1 1 A 49 49 ILE HA H 49 4.341 4.550 -0.209 1
1 438 . 18 1 1 A 50 50 LYS H H 50 8.511 8.745 -0.234 1
1 439 . 18 1 1 A 50 50 LYS N N 50 125.800 124.811 0.989 1
1 440 . 18 1 1 A 50 50 LYS CA C 50 51.179 54.163 -2.984 1
1 441 . 18 1 1 A 50 50 LYS CB C 50 34.816 35.798 -0.982 1
1 442 . 18 1 1 A 50 50 LYS C C 50 173.759 175.078 -1.319 1
1 443 . 18 1 1 A 50 50 LYS HA H 50 4.991 4.771 0.220 1
1 451 . 18 1 1 A 51 51 SER H H 51 8.920 8.761 0.159 1
1 452 . 18 1 1 A 51 51 SER N N 51 117.579 117.259 0.320 1
1 453 . 18 1 1 A 51 51 SER CA C 51 55.043 57.972 -2.929 1
1 454 . 18 1 1 A 51 51 SER CB C 51 61.065 63.693 -2.628 1
1 455 . 18 1 1 A 51 51 SER C C 51 175.084 174.345 0.739 1
1 456 . 18 1 1 A 51 51 SER HA H 51 4.666 4.544 0.122 1
1 459 . 18 1 1 A 52 52 THR H H 52 8.342 8.239 0.103 1
1 460 . 18 1 1 A 52 52 THR N N 52 123.200 122.500 0.700 1
1 461 . 18 1 1 A 52 52 THR CA C 52 62.792 64.709 -1.917 1
1 462 . 18 1 1 A 52 52 THR CB C 52 65.611 68.936 -3.325 1
1 463 . 18 1 1 A 52 52 THR C C 52 173.566 176.552 -2.986 1
1 464 . 18 1 1 A 52 52 THR HA H 52 3.996 4.023 -0.027 1
1 469 . 18 1 1 A 53 53 GLU H H 53 8.312 7.957 0.355 1
1 470 . 18 1 1 A 53 53 GLU N N 53 122.000 120.715 1.285 1
1 471 . 18 1 1 A 53 53 GLU CA C 53 55.889 58.128 -2.239 1
1 472 . 18 1 1 A 53 53 GLU CB C 53 28.359 30.451 -2.092 1
1 473 . 18 1 1 A 53 53 GLU C C 53 175.327 177.944 -2.617 1
1 474 . 18 1 1 A 53 53 GLU HA H 53 4.311 4.214 0.097 1
1 477 . 18 1 1 A 54 54 THR H H 54 7.724 7.881 -0.157 1
1 478 . 18 1 1 A 54 54 THR N N 54 103.100 111.375 -8.275 1
1 479 . 18 1 1 A 54 54 THR CA C 54 58.555 62.053 -3.498 1
1 480 . 18 1 1 A 54 54 THR CB C 54 69.030 69.240 -0.210 1
1 481 . 18 1 1 A 54 54 THR C C 54 173.942 175.634 -1.692 1
1 482 . 18 1 1 A 54 54 THR HA H 54 4.681 4.629 0.052 1
1 487 . 18 1 1 A 55 55 GLY H H 55 7.643 8.232 -0.589 1
1 488 . 18 1 1 A 55 55 GLY N N 55 110.700 110.754 -0.054 1
1 489 . 18 1 1 A 55 55 GLY CA C 55 43.594 45.794 -2.200 1
1 490 . 18 1 1 A 55 55 GLY HA3 H 55 4.150 3.962 0.188 1
1 491 . 18 1 1 A 55 55 GLY HA2 H 55 3.591 3.944 -0.353 1
1 492 . 18 1 1 A 55 55 GLY C C 55 170.694 174.427 -3.733 1
1 493 . 18 1 1 A 56 56 GLN H H 56 7.211 7.507 -0.296 1
1 494 . 18 1 1 A 56 56 GLN N N 56 115.700 112.995 2.705 1
1 495 . 18 1 1 A 56 56 GLN CA C 56 53.898 55.093 -1.195 1
1 496 . 18 1 1 A 56 56 GLN CB C 56 30.456 30.676 -0.220 1
1 497 . 18 1 1 A 56 56 GLN C C 56 172.141 172.787 -0.646 1
1 498 . 18 1 1 A 56 56 GLN HA H 56 4.311 4.881 -0.570 1
1 504 . 18 1 1 A 57 57 TYR H H 57 9.254 8.940 0.314 1
1 505 . 18 1 1 A 57 57 TYR N N 57 119.400 124.234 -4.834 1
1 506 . 18 1 1 A 57 57 TYR CA C 57 53.356 56.292 -2.936 1
1 507 . 18 1 1 A 57 57 TYR CB C 57 40.466 37.995 2.471 1
1 508 . 18 1 1 A 57 57 TYR C C 57 173.320 174.669 -1.349 1
1 509 . 18 1 1 A 57 57 TYR HA H 57 4.128 6.243 -2.115 1
1 512 . 18 1 1 A 58 58 LEU H H 58 9.126 7.844 1.282 1
1 513 . 18 1 1 A 58 58 LEU N N 58 123.600 122.819 0.781 1
1 514 . 18 1 1 A 58 58 LEU CA C 58 53.256 53.936 -0.680 1
1 515 . 18 1 1 A 58 58 LEU CB C 58 40.466 41.879 -1.413 1
1 516 . 18 1 1 A 58 58 LEU C C 58 172.320 175.382 -3.062 1
1 517 . 18 1 1 A 58 58 LEU HA H 58 4.128 4.672 -0.544 1
1 524 . 18 1 1 A 59 59 ALA H H 59 8.656 8.643 0.013 1
1 525 . 18 1 1 A 59 59 ALA N N 59 126.947 127.330 -0.383 1
1 526 . 18 1 1 A 59 59 ALA CA C 59 48.450 49.611 -1.161 1
1 527 . 18 1 1 A 59 59 ALA CB C 59 21.261 20.205 1.056 1
1 528 . 18 1 1 A 59 59 ALA C C 59 172.722 175.496 -2.774 1
1 529 . 18 1 1 A 59 59 ALA HA H 59 5.124 4.703 0.421 1
1 533 . 18 1 1 A 60 60 MET H H 60 7.521 8.465 -0.944 1
1 534 . 18 1 1 A 60 60 MET N N 60 116.602 122.554 -5.952 1
1 535 . 18 1 1 A 60 60 MET CA C 60 52.251 53.792 -1.541 1
1 536 . 18 1 1 A 60 60 MET CB C 60 35.046 32.522 2.524 1
1 537 . 18 1 1 A 60 60 MET C C 60 173.753 174.429 -0.676 1
1 538 . 18 1 1 A 60 60 MET HA H 60 5.527 4.740 0.787 1
1 543 . 18 1 1 A 61 61 ASP H H 61 9.159 8.550 0.609 1
1 544 . 18 1 1 A 61 61 ASP N N 61 128.445 124.870 3.575 1
1 545 . 18 1 1 A 61 61 ASP CA C 61 51.480 52.401 -0.921 1
1 546 . 18 1 1 A 61 61 ASP CB C 61 39.346 41.754 -2.408 1
1 547 . 18 1 1 A 61 61 ASP C C 61 175.800 176.115 -0.315 1
1 548 . 18 1 1 A 61 61 ASP HA H 61 5.046 4.963 0.083 1
1 551 . 18 1 1 A 62 62 THR H H 62 7.972 9.411 -1.439 1
1 552 . 18 1 1 A 62 62 THR N N 62 107.806 119.944 -12.138 1
1 553 . 18 1 1 A 62 62 THR CA C 62 62.626 64.136 -1.510 1
1 554 . 18 1 1 A 62 62 THR CB C 62 66.955 67.055 -0.100 1
1 555 . 18 1 1 A 62 62 THR C C 62 172.355 173.876 -1.521 1
1 556 . 18 1 1 A 62 62 THR HA H 62 4.134 3.846 0.288 1
1 561 . 18 1 1 A 63 63 ASP H H 63 8.333 8.604 -0.271 1
1 562 . 18 1 1 A 63 63 ASP N N 63 119.831 120.145 -0.314 1
1 563 . 18 1 1 A 63 63 ASP CA C 63 51.865 55.584 -3.719 1
1 564 . 18 1 1 A 63 63 ASP CB C 63 39.182 40.656 -1.474 1
1 565 . 18 1 1 A 63 63 ASP C C 63 174.438 177.501 -3.063 1
1 566 . 18 1 1 A 63 63 ASP HA H 63 4.964 4.393 0.571 1
1 569 . 18 1 1 A 64 64 GLY H H 64 8.264 8.118 0.146 1
1 570 . 18 1 1 A 64 64 GLY N N 64 109.142 107.052 2.090 1
1 571 . 18 1 1 A 64 64 GLY CA C 64 42.923 45.839 -2.916 1
1 572 . 18 1 1 A 64 64 GLY C C 64 171.248 174.316 -3.068 1
1 573 . 18 1 1 A 64 64 GLY HA3 H 64 3.652 4.215 -0.563 1
1 574 . 18 1 1 A 64 64 GLY HA2 H 64 3.397 4.142 -0.745 1
1 575 . 18 1 1 A 65 65 LEU H H 65 8.636 7.872 0.764 1
1 576 . 18 1 1 A 65 65 LEU N N 65 123.137 115.477 7.660 1
1 577 . 18 1 1 A 65 65 LEU CA C 65 52.224 53.074 -0.850 1
1 578 . 18 1 1 A 65 65 LEU CB C 65 40.557 45.257 -4.700 1
1 579 . 18 1 1 A 65 65 LEU C C 65 174.507 174.649 -0.142 1
1 580 . 18 1 1 A 65 65 LEU HA H 65 4.529 4.968 -0.439 1
1 590 . 18 1 1 A 66 66 LEU H H 66 7.431 9.101 -1.670 1
1 591 . 18 1 1 A 66 66 LEU N N 66 124.493 125.476 -0.983 1
1 592 . 18 1 1 A 66 66 LEU CA C 66 51.635 53.614 -1.979 1
1 593 . 18 1 1 A 66 66 LEU CB C 66 40.474 42.883 -2.409 1
1 594 . 18 1 1 A 66 66 LEU C C 66 174.070 175.753 -1.683 1
1 595 . 18 1 1 A 66 66 LEU HA H 66 5.714 5.046 0.668 1
1 605 . 18 1 1 A 67 67 TYR H H 67 9.237 8.562 0.675 1
1 606 . 18 1 1 A 67 67 TYR N N 67 120.360 122.382 -2.022 1
1 607 . 18 1 1 A 67 67 TYR CA C 67 54.076 55.236 -1.160 1
1 608 . 18 1 1 A 67 67 TYR CB C 67 38.903 41.693 -2.790 1
1 609 . 18 1 1 A 67 67 TYR C C 67 169.640 173.991 -4.351 1
1 610 . 18 1 1 A 67 67 TYR HA H 67 5.023 5.836 -0.813 1
1 612 . 18 1 1 A 68 68 GLY H H 68 8.928 8.545 0.383 1
1 613 . 18 1 1 A 68 68 GLY N N 68 105.646 106.564 -0.918 1
1 614 . 18 1 1 A 68 68 GLY CA C 68 41.569 45.660 -4.091 1
1 615 . 18 1 1 A 68 68 GLY C C 68 170.551 173.893 -3.342 1
1 616 . 18 1 1 A 68 68 GLY HA2 H 68 4.676 4.138 0.538 1
1 617 . 18 1 1 A 69 69 SER H H 69 9.608 9.280 0.328 1
1 618 . 18 1 1 A 69 69 SER N N 69 120.100 119.181 0.919 1
1 619 . 18 1 1 A 69 69 SER CA C 69 53.737 59.584 -5.847 1
1 620 . 18 1 1 A 69 69 SER CB C 69 63.042 65.533 -2.491 1
1 621 . 18 1 1 A 69 69 SER C C 69 174.219 175.062 -0.843 1
1 622 . 18 1 1 A 69 69 SER HA H 69 4.966 4.806 0.160 1
1 625 . 18 1 1 A 70 70 GLN H H 70 9.343 8.151 1.192 1
1 626 . 18 1 1 A 70 70 GLN N N 70 127.339 120.313 7.026 1
1 627 . 18 1 1 A 70 70 GLN CA C 70 56.139 57.572 -1.433 1
1 628 . 18 1 1 A 70 70 GLN CB C 70 27.092 29.950 -2.858 1
1 629 . 18 1 1 A 70 70 GLN C C 70 173.241 174.759 -1.518 1
1 630 . 18 1 1 A 70 70 GLN HA H 70 4.286 4.219 0.067 1
1 638 . 18 1 1 A 71 71 THR H H 71 7.532 7.827 -0.295 1
1 639 . 18 1 1 A 71 71 THR N N 71 108.100 111.318 -3.218 1
1 640 . 18 1 1 A 71 71 THR CA C 71 55.203 59.621 -4.418 1
1 641 . 18 1 1 A 71 71 THR HA H 71 4.780 4.906 -0.126 1
1 643 . 18 1 1 A 72 72 PRO CA C 72 60.050 62.136 -2.086 1
1 644 . 18 1 1 A 72 72 PRO CB C 72 26.678 30.879 -4.201 1
1 645 . 18 1 1 A 72 72 PRO C C 72 172.920 176.296 -3.376 1
1 646 . 18 1 1 A 72 72 PRO HA H 72 4.173 4.995 -0.822 1
1 649 . 18 1 1 A 73 73 ASN H H 73 7.321 9.136 -1.815 1
1 650 . 18 1 1 A 73 73 ASN N N 73 119.200 121.720 -2.520 1
1 651 . 18 1 1 A 73 73 ASN CA C 73 49.994 52.405 -2.411 1
1 652 . 18 1 1 A 74 74 GLU H H 74 9.030 8.523 0.507 1
1 653 . 18 1 1 A 74 74 GLU CA C 74 57.131 55.578 1.553 1
1 654 . 18 1 1 A 74 74 GLU CB C 74 27.005 30.718 -3.713 1
1 655 . 18 1 1 A 74 74 GLU C C 74 176.352 176.284 0.068 1
1 656 . 18 1 1 A 74 74 GLU HA H 74 4.130 4.869 -0.739 1
1 661 . 18 1 1 A 75 75 GLU H H 75 8.574 8.289 0.285 1
1 662 . 18 1 1 A 75 75 GLU N N 75 119.200 122.319 -3.119 1
1 663 . 18 1 1 A 75 75 GLU CA C 75 56.343 56.480 -0.137 1
1 664 . 18 1 1 A 75 75 GLU CB C 75 26.028 31.626 -5.598 1
1 665 . 18 1 1 A 75 75 GLU C C 75 173.866 177.068 -3.202 1
1 666 . 18 1 1 A 75 75 GLU HA H 75 4.206 4.506 -0.300 1
1 671 . 18 1 1 A 76 76 CYS H H 76 7.727 7.620 0.107 1
1 672 . 18 1 1 A 76 76 CYS N N 76 113.800 117.195 -3.395 1
1 673 . 18 1 1 A 76 76 CYS CA C 76 55.635 59.632 -3.997 1
1 674 . 18 1 1 A 76 76 CYS CB C 76 26.036 27.683 -1.647 1
1 675 . 18 1 1 A 76 76 CYS C C 76 170.849 174.154 -3.305 1
1 676 . 18 1 1 A 76 76 CYS HA H 76 5.426 3.995 1.431 1
1 679 . 18 1 1 A 77 77 LEU H H 77 6.241 7.114 -0.873 1
1 680 . 18 1 1 A 77 77 LEU N N 77 118.069 122.740 -4.671 1
1 681 . 18 1 1 A 77 77 LEU CA C 77 51.793 54.559 -2.766 1
1 682 . 18 1 1 A 77 77 LEU CB C 77 42.123 43.005 -0.882 1
1 683 . 18 1 1 A 77 77 LEU C C 77 173.882 175.180 -1.298 1
1 684 . 18 1 1 A 77 77 LEU HA H 77 4.555 4.019 0.536 1
1 694 . 18 1 1 A 78 78 PHE H H 78 9.067 8.403 0.664 1
1 695 . 18 1 1 A 78 78 PHE N N 78 122.377 124.267 -1.890 1
1 696 . 18 1 1 A 78 78 PHE CA C 78 54.917 56.263 -1.346 1
1 697 . 18 1 1 A 78 78 PHE CB C 78 40.597 43.959 -3.362 1
1 698 . 18 1 1 A 78 78 PHE C C 78 171.853 174.580 -2.727 1
1 699 . 18 1 1 A 78 78 PHE HA H 78 5.169 5.081 0.088 1
1 702 . 18 1 1 A 79 79 LEU H H 79 9.958 8.818 1.140 1
1 703 . 18 1 1 A 79 79 LEU N N 79 122.126 123.100 -0.974 1
1 704 . 18 1 1 A 79 79 LEU CA C 79 51.232 54.300 -3.068 1
1 705 . 18 1 1 A 79 79 LEU CB C 79 38.511 44.600 -6.089 1
1 706 . 18 1 1 A 79 79 LEU C C 79 173.055 175.509 -2.454 1
1 707 . 18 1 1 A 79 79 LEU HA H 79 4.686 4.997 -0.311 1
1 713 . 18 1 1 A 80 80 GLU H H 80 8.347 9.579 -1.232 1
1 714 . 18 1 1 A 80 80 GLU N N 80 126.300 127.897 -1.597 1
1 715 . 18 1 1 A 80 80 GLU CA C 80 52.558 55.326 -2.768 1
1 716 . 18 1 1 A 80 80 GLU CB C 80 30.892 31.823 -0.931 1
1 717 . 18 1 1 A 80 80 GLU C C 80 173.355 175.250 -1.895 1
1 718 . 18 1 1 A 80 80 GLU HA H 80 4.832 5.416 -0.584 1
1 721 . 18 1 1 A 81 81 ARG H H 81 8.840 9.079 -0.239 1
1 722 . 18 1 1 A 81 81 ARG N N 81 129.522 128.704 0.818 1
1 723 . 18 1 1 A 81 81 ARG CA C 81 52.288 54.880 -2.592 1
1 724 . 18 1 1 A 81 81 ARG CB C 81 38.588 33.123 5.465 1
1 725 . 18 1 1 A 81 81 ARG C C 81 172.258 174.629 -2.371 1
1 726 . 18 1 1 A 81 81 ARG HA H 81 4.659 4.958 -0.299 1
1 732 . 18 1 1 A 82 82 LEU H H 82 8.347 8.847 -0.500 1
1 733 . 18 1 1 A 82 82 LEU N N 82 125.700 124.284 1.416 1
1 734 . 18 1 1 A 82 82 LEU CA C 82 52.631 53.910 -1.279 1
1 735 . 18 1 1 A 82 82 LEU CB C 82 40.304 43.021 -2.717 1
1 736 . 18 1 1 A 82 82 LEU C C 82 174.567 175.394 -0.827 1
1 737 . 18 1 1 A 82 82 LEU HA H 82 4.875 4.879 -0.004 1
1 744 . 18 1 1 A 83 83 GLU H H 83 9.064 9.128 -0.064 1
1 745 . 18 1 1 A 83 83 GLU N N 83 125.600 125.852 -0.252 1
1 746 . 18 1 1 A 83 83 GLU CA C 83 51.723 55.115 -3.392 1
1 747 . 18 1 1 A 83 83 GLU CB C 83 43.703 31.567 12.136 1
1 748 . 18 1 1 A 83 83 GLU C C 83 174.885 175.311 -0.426 1
1 749 . 18 1 1 A 83 83 GLU HA H 83 4.974 4.933 0.041 1
1 752 . 18 1 1 A 84 84 GLU H H 84 8.806 8.977 -0.171 1
1 753 . 18 1 1 A 84 84 GLU N N 84 120.300 126.948 -6.648 1
1 754 . 18 1 1 A 84 84 GLU CA C 84 55.553 55.719 -0.166 1
1 755 . 18 1 1 A 84 84 GLU CB C 84 27.117 30.635 -3.518 1
1 756 . 18 1 1 A 84 84 GLU C C 84 174.261 176.283 -2.022 1
1 757 . 18 1 1 A 84 84 GLU HA H 84 4.112 4.570 -0.458 1
1 761 . 18 1 1 A 85 85 ASN H H 85 8.429 8.217 0.212 1
1 762 . 18 1 1 A 85 85 ASN N N 85 114.800 118.657 -3.857 1
1 763 . 18 1 1 A 85 85 ASN CA C 85 51.788 54.137 -2.349 1
1 764 . 18 1 1 A 85 85 ASN CB C 85 35.301 36.355 -1.054 1
1 765 . 18 1 1 A 85 85 ASN C C 85 172.203 174.709 -2.506 1
1 766 . 18 1 1 A 85 85 ASN HA H 85 4.343 4.451 -0.108 1
1 769 . 18 1 1 A 86 86 HIS H H 86 8.081 7.932 0.149 1
1 770 . 18 1 1 A 86 86 HIS N N 86 108.737 117.583 -8.846 1
1 771 . 18 1 1 A 86 86 HIS CA C 86 55.255 56.710 -1.455 1
1 772 . 18 1 1 A 86 86 HIS CB C 86 24.858 32.380 -7.522 1
1 773 . 18 1 1 A 86 86 HIS C C 86 171.039 174.201 -3.162 1
1 774 . 18 1 1 A 86 86 HIS HA H 86 4.260 4.787 -0.527 1
1 777 . 18 1 1 A 87 87 TYR H H 87 7.592 8.095 -0.503 1
1 778 . 18 1 1 A 87 87 TYR N N 87 117.738 117.433 0.305 1
1 779 . 18 1 1 A 87 87 TYR CA C 87 56.163 57.532 -1.369 1
1 780 . 18 1 1 A 87 87 TYR CB C 87 38.643 40.135 -1.492 1
1 781 . 18 1 1 A 87 87 TYR C C 87 171.983 175.917 -3.934 1
1 782 . 18 1 1 A 87 87 TYR HA H 87 4.836 4.495 0.341 1
1 784 . 18 1 1 A 88 88 ASN H H 88 9.840 8.828 1.012 1
1 785 . 18 1 1 A 88 88 ASN N N 88 118.891 120.724 -1.833 1
1 786 . 18 1 1 A 88 88 ASN CA C 88 50.063 52.656 -2.593 1
1 787 . 18 1 1 A 88 88 ASN CB C 88 40.242 40.647 -0.405 1
1 788 . 18 1 1 A 88 88 ASN C C 88 172.471 174.643 -2.172 1
1 789 . 18 1 1 A 88 88 ASN HA H 88 5.837 5.214 0.623 1
1 795 . 18 1 1 A 89 89 THR H H 89 8.380 8.444 -0.064 1
1 796 . 18 1 1 A 89 89 THR N N 89 108.521 116.166 -7.645 1
1 797 . 18 1 1 A 89 89 THR CA C 89 57.357 60.061 -2.704 1
1 798 . 18 1 1 A 89 89 THR CB C 89 70.868 72.804 -1.936 1
1 799 . 18 1 1 A 89 89 THR C C 89 170.548 172.460 -1.912 1
1 800 . 18 1 1 A 89 89 THR HA H 89 5.127 4.876 0.251 1
1 805 . 18 1 1 A 90 90 TYR H H 90 10.247 9.145 1.102 1
1 806 . 18 1 1 A 90 90 TYR N N 90 119.000 122.199 -3.199 1
1 807 . 18 1 1 A 90 90 TYR CA C 90 55.106 56.090 -0.984 1
1 808 . 18 1 1 A 90 90 TYR CB C 90 39.047 42.996 -3.949 1
1 809 . 18 1 1 A 90 90 TYR C C 90 172.442 175.016 -2.574 1
1 810 . 18 1 1 A 90 90 TYR HA H 90 5.472 5.550 -0.078 1
1 812 . 18 1 1 A 91 91 ILE H H 91 8.781 9.735 -0.954 1
1 813 . 18 1 1 A 91 91 ILE N N 91 122.546 123.328 -0.782 1
1 814 . 18 1 1 A 91 91 ILE CA C 91 56.346 59.826 -3.480 1
1 815 . 18 1 1 A 91 91 ILE CB C 91 36.627 40.620 -3.993 1
1 816 . 18 1 1 A 91 91 ILE C C 91 172.924 174.760 -1.836 1
1 817 . 18 1 1 A 91 91 ILE HA H 91 4.673 4.779 -0.106 1
1 826 . 18 1 1 A 92 92 SER H H 92 8.191 8.444 -0.253 1
1 827 . 18 1 1 A 92 92 SER N N 92 120.200 121.962 -1.762 1
1 828 . 18 1 1 A 92 92 SER CA C 92 55.781 57.089 -1.308 1
1 829 . 18 1 1 A 92 92 SER CB C 92 62.382 62.628 -0.246 1
1 830 . 18 1 1 A 92 92 SER C C 92 172.863 175.374 -2.511 1
1 831 . 18 1 1 A 92 92 SER HA H 92 4.016 4.741 -0.725 1
1 833 . 18 1 1 A 93 93 LYS H H 93 7.993 8.669 -0.676 1
1 834 . 18 1 1 A 93 93 LYS N N 93 130.618 127.000 3.618 1
1 835 . 18 1 1 A 93 93 LYS CA C 93 57.942 58.359 -0.417 1
1 836 . 18 1 1 A 93 93 LYS CB C 93 30.889 32.125 -1.236 1
1 837 . 18 1 1 A 93 93 LYS C C 93 176.938 177.719 -0.781 1
1 838 . 18 1 1 A 93 93 LYS HA H 93 3.779 4.316 -0.537 1
1 844 . 18 1 1 A 94 94 LYS H H 94 8.616 7.907 0.709 1
1 845 . 18 1 1 A 94 94 LYS N N 94 120.044 121.070 -1.026 1
1 846 . 18 1 1 A 94 94 LYS CA C 94 55.868 59.122 -3.254 1
1 847 . 18 1 1 A 94 94 LYS CB C 94 30.329 32.659 -2.330 1
1 848 . 18 1 1 A 94 94 LYS C C 94 174.491 178.027 -3.536 1
1 849 . 18 1 1 A 94 94 LYS HA H 94 3.851 4.038 -0.187 1
1 856 . 18 1 1 A 95 95 HIS H H 95 7.249 7.963 -0.714 1
1 857 . 18 1 1 A 95 95 HIS N N 95 114.486 116.814 -2.328 1
1 858 . 18 1 1 A 95 95 HIS CA C 95 51.180 54.960 -3.780 1
1 859 . 18 1 1 A 95 95 HIS CB C 95 26.844 29.161 -2.317 1
1 860 . 18 1 1 A 95 95 HIS C C 95 173.734 175.711 -1.977 1
1 861 . 18 1 1 A 95 95 HIS HA H 95 4.604 4.708 -0.104 1
1 864 . 18 1 1 A 96 96 ALA H H 96 7.104 7.901 -0.797 1
1 865 . 18 1 1 A 96 96 ALA N N 96 125.204 124.218 0.986 1
1 866 . 18 1 1 A 96 96 ALA CA C 96 53.758 55.498 -1.740 1
1 867 . 18 1 1 A 96 96 ALA CB C 96 16.578 18.565 -1.987 1
1 868 . 18 1 1 A 96 96 ALA C C 96 178.508 179.800 -1.292 1
1 869 . 18 1 1 A 96 96 ALA HA H 96 4.131 4.097 0.034 1
1 873 . 18 1 1 A 97 97 GLU H H 97 8.857 8.223 0.634 1
1 874 . 18 1 1 A 97 97 GLU N N 97 118.007 118.605 -0.598 1
1 875 . 18 1 1 A 97 97 GLU CA C 97 56.153 59.152 -2.999 1
1 876 . 18 1 1 A 97 97 GLU CB C 97 26.241 29.008 -2.767 1
1 877 . 18 1 1 A 97 97 GLU C C 97 174.813 178.202 -3.389 1
1 878 . 18 1 1 A 97 97 GLU HA H 97 4.063 4.022 0.041 1
1 882 . 18 1 1 A 98 98 LYS H H 98 7.116 7.898 -0.782 1
1 883 . 18 1 1 A 98 98 LYS N N 98 116.241 117.708 -1.467 1
1 884 . 18 1 1 A 98 98 LYS CA C 98 52.852 55.998 -3.146 1
1 885 . 18 1 1 A 98 98 LYS CB C 98 29.959 32.385 -2.426 1
1 886 . 18 1 1 A 98 98 LYS C C 98 173.361 176.226 -2.865 1
1 887 . 18 1 1 A 98 98 LYS HA H 98 4.280 4.326 -0.046 1
1 893 . 18 1 1 A 99 99 ASN H H 99 7.842 8.116 -0.274 1
1 894 . 18 1 1 A 99 99 ASN N N 99 113.000 116.320 -3.320 1
1 895 . 18 1 1 A 99 99 ASN CA C 99 52.240 54.522 -2.282 1
1 896 . 18 1 1 A 99 99 ASN CB C 99 35.289 38.001 -2.712 1
1 897 . 18 1 1 A 99 99 ASN C C 99 170.506 174.261 -3.755 1
1 898 . 18 1 1 A 99 99 ASN HA H 99 3.772 4.232 -0.460 1
1 904 . 18 1 1 A 100 100 TRP H H 100 6.369 7.698 -1.329 1
1 905 . 18 1 1 A 100 100 TRP N N 100 116.000 120.381 -4.381 1
1 906 . 18 1 1 A 100 100 TRP CA C 100 53.179 57.372 -4.193 1
1 907 . 18 1 1 A 100 100 TRP CB C 100 28.228 30.169 -1.941 1
1 908 . 18 1 1 A 100 100 TRP C C 100 171.701 175.623 -3.922 1
1 909 . 18 1 1 A 100 100 TRP HA H 100 4.816 4.484 0.332 1
1 912 . 18 1 1 A 101 101 PHE H H 101 8.026 8.910 -0.884 1
1 913 . 18 1 1 A 101 101 PHE N N 101 124.185 118.979 5.206 1
1 914 . 18 1 1 A 101 101 PHE CA C 101 55.472 56.151 -0.679 1
1 915 . 18 1 1 A 101 101 PHE CB C 101 39.220 42.298 -3.078 1
1 916 . 18 1 1 A 101 101 PHE C C 101 175.044 174.607 0.437 1
1 917 . 18 1 1 A 101 101 PHE HA H 101 5.373 5.155 0.218 1
1 920 . 18 1 1 A 102 102 VAL H H 102 8.499 8.482 0.017 1
1 921 . 18 1 1 A 102 102 VAL N N 102 120.282 122.752 -2.470 1
1 922 . 18 1 1 A 102 102 VAL CA C 102 60.975 60.669 0.306 1
1 923 . 18 1 1 A 102 102 VAL CB C 102 30.243 32.696 -2.453 1
1 924 . 18 1 1 A 102 102 VAL C C 102 174.220 174.888 -0.668 1
1 925 . 18 1 1 A 102 102 VAL HA H 102 3.939 4.660 -0.721 1
1 930 . 18 1 1 A 103 103 GLY H H 103 8.996 8.835 0.161 1
1 931 . 18 1 1 A 103 103 GLY N N 103 114.668 115.491 -0.823 1
1 932 . 18 1 1 A 103 103 GLY CA C 103 43.802 44.392 -0.590 1
1 933 . 18 1 1 A 103 103 GLY C C 103 169.388 172.599 -3.211 1
1 934 . 18 1 1 A 103 103 GLY HA2 H 103 5.275 4.367 0.908 1
1 935 . 18 1 1 A 103 103 GLY HA3 H 103 3.180 4.572 -1.392 1
1 936 . 18 1 1 A 104 104 LEU H H 104 8.118 8.702 -0.584 1
1 937 . 18 1 1 A 104 104 LEU N N 104 119.100 120.725 -1.625 1
1 938 . 18 1 1 A 104 104 LEU CA C 104 51.207 52.725 -1.518 1
1 939 . 18 1 1 A 104 104 LEU CB C 104 43.579 45.574 -1.995 1
1 940 . 18 1 1 A 104 104 LEU C C 104 174.252 174.774 -0.522 1
1 941 . 18 1 1 A 104 104 LEU HA H 104 4.959 5.162 -0.203 1
1 950 . 18 1 1 A 105 105 LYS H H 105 8.847 8.833 0.014 1
1 951 . 18 1 1 A 105 105 LYS N N 105 118.900 123.403 -4.503 1
1 952 . 18 1 1 A 105 105 LYS CA C 105 54.035 55.456 -1.421 1
1 953 . 18 1 1 A 105 105 LYS C C 105 176.404 176.741 -0.337 1
1 954 . 18 1 1 A 105 105 LYS HA H 105 4.215 4.569 -0.354 1
1 960 . 18 1 1 A 106 106 LYS H H 106 8.980 8.622 0.358 1
1 961 . 18 1 1 A 106 106 LYS N N 106 122.172 124.883 -2.711 1
1 962 . 18 1 1 A 106 106 LYS CA C 106 57.672 59.025 -1.353 1
1 963 . 18 1 1 A 106 106 LYS CB C 106 29.780 31.945 -2.165 1
1 964 . 18 1 1 A 106 106 LYS C C 106 174.499 178.602 -4.103 1
1 965 . 18 1 1 A 106 106 LYS HA H 106 3.624 4.007 -0.383 1
1 970 . 18 1 1 A 107 107 ASN H H 107 7.352 7.822 -0.470 1
1 971 . 18 1 1 A 107 107 ASN N N 107 112.743 118.398 -5.655 1
1 972 . 18 1 1 A 107 107 ASN CA C 107 49.523 54.744 -5.221 1
1 973 . 18 1 1 A 107 107 ASN CB C 107 35.121 38.328 -3.207 1
1 974 . 18 1 1 A 107 107 ASN C C 107 174.511 176.076 -1.565 1
1 975 . 18 1 1 A 107 107 ASN HA H 107 4.678 4.670 0.008 1
1 978 . 18 1 1 A 108 108 GLY H H 108 7.656 7.586 0.070 1
1 979 . 18 1 1 A 108 108 GLY N N 108 109.900 107.632 2.268 1
1 980 . 18 1 1 A 108 108 GLY CA C 108 42.207 45.488 -3.281 1
1 981 . 18 1 1 A 108 108 GLY C C 108 169.305 173.694 -4.389 1
1 982 . 18 1 1 A 108 108 GLY HA3 H 108 3.358 3.974 -0.616 1
1 983 . 18 1 1 A 108 108 GLY HA2 H 108 2.111 3.854 -1.743 1
1 984 . 18 1 1 A 109 109 SER H H 109 7.280 7.989 -0.709 1
1 985 . 18 1 1 A 109 109 SER N N 109 112.357 112.025 0.332 1
1 986 . 18 1 1 A 109 109 SER CA C 109 55.139 57.446 -2.307 1
1 987 . 18 1 1 A 109 109 SER CB C 109 62.749 65.774 -3.025 1
1 988 . 18 1 1 A 109 109 SER C C 109 171.244 172.316 -1.072 1
1 989 . 18 1 1 A 109 109 SER HA H 109 4.755 4.891 -0.136 1
1 992 . 18 1 1 A 110 110 CYS H H 110 9.070 8.582 0.488 1
1 993 . 18 1 1 A 110 110 CYS N N 110 119.883 120.751 -0.868 1
1 994 . 18 1 1 A 110 110 CYS CA C 110 57.858 57.246 0.612 1
1 995 . 18 1 1 A 110 110 CYS CB C 110 37.322 28.696 8.626 1
1 996 . 18 1 1 A 110 110 CYS C C 110 172.131 173.600 -1.469 1
1 997 . 18 1 1 A 110 110 CYS HA H 110 4.296 5.166 -0.870 1
1 1000 . 18 1 1 A 111 111 LYS H H 111 8.095 8.940 -0.845 1
1 1001 . 18 1 1 A 111 111 LYS N N 111 128.642 121.431 7.211 1
1 1002 . 18 1 1 A 111 111 LYS CA C 111 52.117 54.915 -2.798 1
1 1003 . 18 1 1 A 111 111 LYS CB C 111 30.980 34.904 -3.924 1
1 1004 . 18 1 1 A 111 111 LYS C C 111 172.265 175.078 -2.813 1
1 1005 . 18 1 1 A 111 111 LYS HA H 111 4.380 5.129 -0.749 1
1 1010 . 18 1 1 A 112 112 ARG H H 112 8.566 8.751 -0.185 1
1 1011 . 18 1 1 A 112 112 ARG N N 112 124.700 124.564 0.136 1
1 1012 . 18 1 1 A 112 112 ARG CA C 112 54.295 54.644 -0.349 1
1 1013 . 18 1 1 A 112 112 ARG CB C 112 28.927 31.450 -2.523 1
1 1014 . 18 1 1 A 112 112 ARG C C 112 175.240 175.833 -0.593 1
1 1015 . 18 1 1 A 112 112 ARG HA H 112 4.252 4.865 -0.613 1
1 1021 . 18 1 1 A 113 113 GLY H H 113 9.408 8.420 0.988 1
1 1022 . 18 1 1 A 113 113 GLY N N 113 106.636 112.807 -6.171 1
1 1023 . 18 1 1 A 113 113 GLY CA C 113 44.552 46.866 -2.314 1
1 1024 . 18 1 1 A 113 113 GLY C C 113 169.610 174.487 -4.877 1
1 1025 . 18 1 1 A 113 113 GLY HA2 H 113 1.510 3.765 -2.255 1
1 1026 . 18 1 1 A 114 114 PRO CA C 114 62.529 64.644 -2.115 1
1 1027 . 18 1 1 A 114 114 PRO C C 114 174.543 176.862 -2.319 1
1 1028 . 18 1 1 A 114 114 PRO HA H 114 4.321 4.278 0.043 1
1 1033 . 18 1 1 A 115 115 ARG H H 115 8.067 8.002 0.065 1
1 1034 . 18 1 1 A 115 115 ARG N N 115 114.500 116.928 -2.428 1
1 1035 . 18 1 1 A 115 115 ARG CA C 115 52.011 55.873 -3.862 1
1 1036 . 18 1 1 A 115 115 ARG CB C 115 27.143 31.785 -4.642 1
1 1037 . 18 1 1 A 115 115 ARG C C 115 174.680 175.715 -1.035 1
1 1038 . 18 1 1 A 115 115 ARG HA H 115 4.508 4.475 0.033 1
1 1043 . 18 1 1 A 116 116 THR H H 116 7.643 7.231 0.412 1
1 1044 . 18 1 1 A 116 116 THR N N 116 111.716 111.719 -0.003 1
1 1045 . 18 1 1 A 116 116 THR CA C 116 58.712 61.465 -2.753 1
1 1046 . 18 1 1 A 116 116 THR CB C 116 70.086 69.581 0.505 1
1 1047 . 18 1 1 A 116 116 THR C C 116 172.573 173.906 -1.333 1
1 1048 . 18 1 1 A 116 116 THR HA H 116 5.198 4.257 0.941 1
1 1053 . 18 1 1 A 117 117 HIS H H 117 7.091 8.345 -1.254 1
1 1054 . 18 1 1 A 117 117 HIS N N 117 112.914 121.456 -8.542 1
1 1055 . 18 1 1 A 117 117 HIS CA C 117 53.291 54.398 -1.107 1
1 1056 . 18 1 1 A 117 117 HIS CB C 117 29.133 33.388 -4.255 1
1 1057 . 18 1 1 A 117 117 HIS C C 117 170.344 172.287 -1.943 1
1 1058 . 18 1 1 A 117 117 HIS HA H 117 4.868 4.287 0.581 1
1 1061 . 18 1 1 A 118 118 TYR H H 118 9.020 8.646 0.374 1
1 1062 . 18 1 1 A 118 118 TYR N N 118 123.051 119.918 3.133 1
1 1063 . 18 1 1 A 118 118 TYR CA C 118 58.801 56.543 2.258 1
1 1064 . 18 1 1 A 118 118 TYR CB C 118 29.959 36.740 -6.781 1
1 1065 . 18 1 1 A 118 118 TYR C C 118 174.446 175.812 -1.366 1
1 1066 . 18 1 1 A 118 118 TYR HA H 118 3.897 4.451 -0.554 1
1 1069 . 18 1 1 A 119 119 GLY H H 119 7.999 8.747 -0.748 1
1 1070 . 18 1 1 A 119 119 GLY N N 119 116.885 112.202 4.683 1
1 1071 . 18 1 1 A 119 119 GLY CA C 119 42.599 45.957 -3.358 1
1 1072 . 18 1 1 A 119 119 GLY C C 119 172.439 173.736 -1.297 1
1 1073 . 18 1 1 A 119 119 GLY HA3 H 119 4.385 3.968 0.417 1
1 1074 . 18 1 1 A 119 119 GLY HA2 H 119 3.296 3.945 -0.649 1
1 1075 . 18 1 1 A 120 120 GLN H H 120 7.003 7.612 -0.609 1
1 1076 . 18 1 1 A 120 120 GLN N N 120 118.266 117.706 0.560 1
1 1077 . 18 1 1 A 120 120 GLN CA C 120 52.617 53.920 -1.303 1
1 1078 . 18 1 1 A 120 120 GLN CB C 120 27.324 32.129 -4.805 1
1 1079 . 18 1 1 A 120 120 GLN C C 120 174.995 175.549 -0.554 1
1 1080 . 18 1 1 A 120 120 GLN HA H 120 4.262 4.713 -0.451 1
1 1083 . 18 1 1 A 121 121 LYS H H 121 8.477 8.757 -0.280 1
1 1084 . 18 1 1 A 121 121 LYS N N 121 121.222 123.424 -2.202 1
1 1085 . 18 1 1 A 121 121 LYS CA C 121 56.243 56.654 -0.411 1
1 1086 . 18 1 1 A 121 121 LYS CB C 121 29.598 31.882 -2.284 1
1 1087 . 18 1 1 A 121 121 LYS C C 121 172.702 177.067 -4.365 1
1 1088 . 18 1 1 A 121 121 LYS HA H 121 3.809 4.333 -0.524 1
1 1093 . 18 1 1 A 122 122 ALA H H 122 7.526 7.750 -0.224 1
1 1094 . 18 1 1 A 122 122 ALA N N 122 116.019 122.280 -6.261 1
1 1095 . 18 1 1 A 122 122 ALA CA C 122 52.338 53.704 -1.366 1
1 1096 . 18 1 1 A 122 122 ALA CB C 122 18.675 18.334 0.341 1
1 1097 . 18 1 1 A 122 122 ALA C C 122 172.756 177.531 -4.775 1
1 1098 . 18 1 1 A 122 122 ALA HA H 122 3.947 4.230 -0.283 1
1 1102 . 18 1 1 A 123 123 ILE H H 123 5.794 7.426 -1.632 1
1 1103 . 18 1 1 A 123 123 ILE N N 123 101.200 114.323 -13.123 1
1 1104 . 18 1 1 A 123 123 ILE CA C 123 57.297 60.842 -3.545 1
1 1105 . 18 1 1 A 123 123 ILE CB C 123 35.425 37.390 -1.965 1
1 1106 . 18 1 1 A 123 123 ILE C C 123 172.790 174.358 -1.568 1
1 1107 . 18 1 1 A 123 123 ILE HA H 123 5.184 4.078 1.106 1
1 1116 . 18 1 1 A 124 124 LEU H H 124 6.716 7.208 -0.492 1
1 1117 . 18 1 1 A 124 124 LEU N N 124 121.554 122.643 -1.089 1
1 1118 . 18 1 1 A 124 124 LEU CA C 124 51.686 52.813 -1.127 1
1 1119 . 18 1 1 A 124 124 LEU CB C 124 39.622 42.191 -2.569 1
1 1120 . 18 1 1 A 124 124 LEU C C 124 173.411 175.773 -2.362 1
1 1121 . 18 1 1 A 124 124 LEU HA H 124 4.597 4.128 0.469 1
1 1130 . 18 1 1 A 125 125 PHE H H 125 9.226 8.479 0.747 1
1 1131 . 18 1 1 A 125 125 PHE N N 125 121.900 121.738 0.162 1
1 1132 . 18 1 1 A 125 125 PHE CA C 125 54.604 55.401 -0.797 1
1 1133 . 18 1 1 A 125 125 PHE CB C 125 41.692 42.192 -0.500 1
1 1134 . 18 1 1 A 125 125 PHE C C 125 172.768 173.454 -0.686 1
1 1135 . 18 1 1 A 125 125 PHE HA H 125 5.612 5.484 0.128 1
1 1138 . 18 1 1 A 126 126 LEU H H 126 9.932 9.101 0.831 1
1 1139 . 18 1 1 A 126 126 LEU N N 126 125.427 117.530 7.897 1
1 1140 . 18 1 1 A 126 126 LEU CA C 126 48.875 50.969 -2.094 1
1 1141 . 18 1 1 A 127 127 PRO CA C 127 58.907 62.198 -3.291 1
1 1142 . 18 1 1 A 127 127 PRO CB C 127 28.730 31.771 -3.041 1
1 1143 . 18 1 1 A 127 127 PRO C C 127 174.541 175.407 -0.866 1
1 1144 . 18 1 1 A 127 127 PRO HA H 127 5.587 5.247 0.340 1
1 1147 . 18 1 1 A 128 128 LEU H H 128 9.674 8.475 1.199 1
1 1148 . 18 1 1 A 128 128 LEU N N 128 129.196 124.557 4.639 1
1 1149 . 18 1 1 A 128 128 LEU CA C 128 49.523 51.851 -2.328 1
1 1150 . 18 1 1 A 128 128 LEU C C 128 175.960 175.924 0.036 1
1 1151 . 18 1 1 A 129 129 PRO CA C 129 60.043 62.306 -2.263 1
1 1152 . 18 1 1 A 129 129 PRO CB C 129 29.800 32.414 -2.614 1
1 1153 . 18 1 1 A 129 129 PRO C C 129 174.414 176.052 -1.638 1
1 1154 . 18 1 1 A 129 129 PRO HA H 129 4.710 4.779 -0.069 1
1 1160 . 18 1 1 A 130 130 VAL H H 130 7.992 8.292 -0.300 1
1 1161 . 18 1 1 A 130 130 VAL N N 130 118.275 121.357 -3.082 1
1 1162 . 18 1 1 A 130 130 VAL CA C 130 61.494 61.891 -0.397 1
1 1163 . 18 1 1 A 130 130 VAL CB C 130 29.649 32.877 -3.228 1
1 1164 . 18 1 1 A 130 130 VAL C C 130 174.097 175.447 -1.350 1
1 1165 . 18 1 1 A 130 130 VAL HA H 130 3.794 4.390 -0.596 1
1 1173 . 18 1 1 A 131 131 SER H H 131 7.844 8.845 -1.001 1
1 1174 . 18 1 1 A 131 131 SER N N 131 115.853 123.509 -7.656 1
1 1175 . 18 1 1 A 131 131 SER CA C 131 55.233 57.681 -2.448 1
1 1176 . 18 1 1 A 131 131 SER CB C 131 61.375 64.222 -2.847 1
1 1177 . 18 1 1 A 131 131 SER C C 131 173.574 173.690 -0.116 1
1 1178 . 18 1 1 A 131 131 SER HA H 131 4.218 5.154 -0.936 1
1 1181 . 18 1 1 A 132 132 SER H H 132 8.196 9.104 -0.908 1
1 1182 . 18 1 1 A 132 132 SER N N 132 118.100 124.462 -6.362 1
1 1183 . 18 1 1 A 132 132 SER CA C 132 56.021 57.627 -1.606 1
1 1184 . 18 1 1 A 132 132 SER CB C 132 61.848 61.863 -0.015 1
1 1185 . 18 1 1 A 132 132 SER C C 132 170.997 172.781 -1.784 1
1 1186 . 18 1 1 A 132 132 SER HA H 132 4.484 5.005 -0.521 1
1 12 . 19 1 1 A 2 2 LYS H H 2 7.955 8.052 -0.097 1
1 13 . 19 1 1 A 2 2 LYS N N 2 120.000 118.223 1.777 1
1 14 . 19 1 1 A 2 2 LYS CA C 2 51.913 55.036 -3.123 1
1 15 . 19 1 1 A 2 2 LYS C C 2 174.300 175.074 -0.774 1
1 16 . 19 1 1 A 2 2 LYS HA H 2 4.270 5.115 -0.845 1
1 18 . 19 1 1 A 3 3 LYS H H 3 7.960 9.028 -1.068 1
1 19 . 19 1 1 A 3 3 LYS N N 3 119.640 119.426 0.214 1
1 20 . 19 1 1 A 3 3 LYS CA C 3 51.900 57.078 -5.178 1
1 21 . 19 1 1 A 3 3 LYS HA H 3 4.600 4.571 0.029 1
1 24 . 19 1 1 A 4 4 PRO CA C 4 60.687 62.219 -1.532 1
1 25 . 19 1 1 A 4 4 PRO C C 4 172.359 176.063 -3.704 1
1 26 . 19 1 1 A 4 4 PRO CB C 4 30.627 32.572 -1.945 1
1 27 . 19 1 1 A 4 4 PRO HA H 4 4.716 4.809 -0.093 1
1 29 . 19 1 1 A 5 5 LYS H H 5 9.357 9.097 0.260 1
1 30 . 19 1 1 A 5 5 LYS N N 5 119.100 121.124 -2.024 1
1 31 . 19 1 1 A 5 5 LYS CA C 5 51.445 54.678 -3.233 1
1 32 . 19 1 1 A 5 5 LYS CB C 5 34.945 35.998 -1.053 1
1 33 . 19 1 1 A 5 5 LYS C C 5 171.776 175.836 -4.060 1
1 34 . 19 1 1 A 5 5 LYS HA H 5 5.062 4.877 0.185 1
1 37 . 19 1 1 A 6 6 LEU H H 6 8.944 9.320 -0.376 1
1 38 . 19 1 1 A 6 6 LEU N N 6 117.400 119.055 -1.655 1
1 39 . 19 1 1 A 6 6 LEU CA C 6 50.259 52.739 -2.480 1
1 40 . 19 1 1 A 6 6 LEU CB C 6 41.472 44.958 -3.486 1
1 41 . 19 1 1 A 6 6 LEU C C 6 174.676 174.954 -0.278 1
1 42 . 19 1 1 A 6 6 LEU HA H 6 4.984 5.274 -0.290 1
1 51 . 19 1 1 A 7 7 LEU H H 7 10.297 8.968 1.329 1
1 52 . 19 1 1 A 7 7 LEU N N 7 125.000 123.021 1.979 1
1 53 . 19 1 1 A 7 7 LEU CA C 7 53.596 53.404 0.192 1
1 54 . 19 1 1 A 7 7 LEU C C 7 172.290 174.815 -2.525 1
1 55 . 19 1 1 A 7 7 LEU HA H 7 5.083 5.243 -0.160 1
1 65 . 19 1 1 A 8 8 TYR H H 8 8.483 9.046 -0.563 1
1 66 . 19 1 1 A 8 8 TYR N N 8 125.000 125.372 -0.372 1
1 67 . 19 1 1 A 8 8 TYR CA C 8 54.761 55.829 -1.068 1
1 68 . 19 1 1 A 8 8 TYR CB C 8 37.988 40.244 -2.256 1
1 69 . 19 1 1 A 8 8 TYR C C 8 171.270 174.489 -3.219 1
1 70 . 19 1 1 A 8 8 TYR HA H 8 4.592 5.624 -1.032 1
1 73 . 19 1 1 A 9 9 CYS H H 9 9.235 8.863 0.372 1
1 74 . 19 1 1 A 9 9 CYS N N 9 130.104 125.194 4.910 1
1 75 . 19 1 1 A 9 9 CYS CA C 9 55.588 57.733 -2.145 1
1 76 . 19 1 1 A 9 9 CYS CB C 9 26.864 28.401 -1.537 1
1 77 . 19 1 1 A 9 9 CYS C C 9 172.619 173.039 -0.420 1
1 78 . 19 1 1 A 9 9 CYS HA H 9 4.163 5.042 -0.879 1
1 82 . 19 1 1 A 10 10 SER H H 10 8.173 8.618 -0.445 1
1 83 . 19 1 1 A 10 10 SER N N 10 122.600 119.710 2.890 1
1 84 . 19 1 1 A 10 10 SER CA C 10 57.853 56.487 1.366 1
1 85 . 19 1 1 A 10 10 SER CB C 10 61.820 65.848 -4.028 1
1 86 . 19 1 1 A 10 10 SER C C 10 172.210 172.440 -0.230 1
1 87 . 19 1 1 A 10 10 SER HA H 10 3.920 5.148 -1.228 1
1 89 . 19 1 1 A 11 11 ASN H H 11 7.450 8.762 -1.312 1
1 90 . 19 1 1 A 11 11 ASN N N 11 119.550 123.817 -4.267 1
1 91 . 19 1 1 A 11 11 ASN CA C 11 52.430 52.734 -0.304 1
1 92 . 19 1 1 A 11 11 ASN HA H 11 4.360 4.955 -0.595 1
1 94 . 19 1 1 A 12 12 GLY C C 12 171.806 172.443 -0.637 1
1 95 . 19 1 1 A 12 12 GLY CA C 12 41.915 46.004 -4.089 1
1 96 . 19 1 1 A 12 12 GLY HA3 H 12 3.927 4.249 -0.322 1
1 97 . 19 1 1 A 12 12 GLY H H 12 7.096 8.301 -1.205 1
1 98 . 19 1 1 A 12 12 GLY N N 12 109.300 112.952 -3.652 1
1 99 . 19 1 1 A 13 13 GLY H H 13 7.096 8.094 -0.998 1
1 100 . 19 1 1 A 13 13 GLY N N 13 109.300 110.371 -1.071 1
1 101 . 19 1 1 A 13 13 GLY CA C 13 44.272 45.383 -1.111 1
1 102 . 19 1 1 A 13 13 GLY C C 13 170.445 172.237 -1.792 1
1 103 . 19 1 1 A 13 13 GLY HA2 H 13 3.598 3.988 -0.390 1
1 104 . 19 1 1 A 13 13 GLY HA3 H 13 3.204 4.076 -0.872 1
1 105 . 19 1 1 A 14 14 HIS H H 14 6.302 8.930 -2.628 1
1 106 . 19 1 1 A 14 14 HIS N N 14 113.600 123.193 -9.593 1
1 107 . 19 1 1 A 14 14 HIS CA C 14 54.319 54.248 0.071 1
1 108 . 19 1 1 A 14 14 HIS CB C 14 31.792 34.060 -2.268 1
1 109 . 19 1 1 A 14 14 HIS C C 14 171.281 173.892 -2.611 1
1 110 . 19 1 1 A 14 14 HIS HA H 14 4.104 4.732 -0.628 1
1 113 . 19 1 1 A 15 15 PHE H H 15 9.298 8.705 0.593 1
1 114 . 19 1 1 A 15 15 PHE N N 15 120.700 117.898 2.802 1
1 115 . 19 1 1 A 15 15 PHE CA C 15 54.273 56.370 -2.097 1
1 116 . 19 1 1 A 15 15 PHE CB C 15 37.632 42.752 -5.120 1
1 117 . 19 1 1 A 15 15 PHE C C 15 173.938 174.605 -0.667 1
1 118 . 19 1 1 A 15 15 PHE HA H 15 5.390 5.013 0.377 1
1 121 . 19 1 1 A 16 16 LEU H H 16 8.480 8.520 -0.040 1
1 122 . 19 1 1 A 16 16 LEU N N 16 124.700 124.931 -0.231 1
1 123 . 19 1 1 A 16 16 LEU CA C 16 54.440 55.176 -0.736 1
1 124 . 19 1 1 A 16 16 LEU C C 16 171.758 175.595 -3.837 1
1 125 . 19 1 1 A 16 16 LEU CB C 16 41.301 42.780 -1.479 1
1 126 . 19 1 1 A 16 16 LEU HA H 16 4.394 5.418 -1.024 1
1 129 . 19 1 1 A 17 17 ARG H H 17 9.339 9.502 -0.163 1
1 130 . 19 1 1 A 17 17 ARG N N 17 126.971 127.752 -0.781 1
1 131 . 19 1 1 A 17 17 ARG CA C 17 53.301 54.301 -1.000 1
1 132 . 19 1 1 A 17 17 ARG CB C 17 32.620 33.944 -1.324 1
1 133 . 19 1 1 A 17 17 ARG C C 17 171.302 175.404 -4.102 1
1 134 . 19 1 1 A 17 17 ARG HA H 17 4.715 5.136 -0.421 1
1 141 . 19 1 1 A 18 18 ILE H H 18 6.989 8.781 -1.792 1
1 142 . 19 1 1 A 18 18 ILE N N 18 120.966 120.796 0.170 1
1 143 . 19 1 1 A 18 18 ILE CA C 18 57.903 59.588 -1.685 1
1 144 . 19 1 1 A 18 18 ILE C C 18 173.747 174.543 -0.796 1
1 145 . 19 1 1 A 18 18 ILE HA H 18 4.563 4.887 -0.324 1
1 150 . 19 1 1 A 19 19 LEU H H 19 8.940 8.768 0.172 1
1 151 . 19 1 1 A 19 19 LEU N N 19 128.097 125.818 2.279 1
1 152 . 19 1 1 A 19 19 LEU CA C 19 51.419 51.209 0.210 1
1 153 . 19 1 1 A 20 20 PRO CA C 20 62.710 64.008 -1.298 1
1 154 . 19 1 1 A 20 20 PRO CB C 20 29.518 32.010 -2.492 1
1 155 . 19 1 1 A 20 20 PRO C C 20 173.966 176.962 -2.996 1
1 156 . 19 1 1 A 20 20 PRO HA H 20 4.319 4.557 -0.238 1
1 161 . 19 1 1 A 21 21 ASP H H 21 7.415 7.999 -0.584 1
1 162 . 19 1 1 A 21 21 ASP N N 21 114.000 117.807 -3.807 1
1 163 . 19 1 1 A 21 21 ASP CA C 21 51.361 54.045 -2.684 1
1 164 . 19 1 1 A 21 21 ASP CB C 21 37.419 41.348 -3.929 1
1 165 . 19 1 1 A 21 21 ASP C C 21 174.570 176.696 -2.126 1
1 166 . 19 1 1 A 21 21 ASP HA H 21 4.513 4.693 -0.180 1
1 169 . 19 1 1 A 22 22 GLY H H 22 8.404 8.588 -0.184 1
1 170 . 19 1 1 A 22 22 GLY N N 22 109.100 107.776 1.324 1
1 171 . 19 1 1 A 22 22 GLY CA C 22 43.166 46.623 -3.457 1
1 172 . 19 1 1 A 22 22 GLY C C 22 172.565 174.409 -1.844 1
1 173 . 19 1 1 A 22 22 GLY HA3 H 22 4.632 4.126 0.506 1
1 174 . 19 1 1 A 22 22 GLY HA2 H 22 3.838 4.105 -0.267 1
1 175 . 19 1 1 A 23 23 THR H H 23 7.894 7.627 0.267 1
1 176 . 19 1 1 A 23 23 THR N N 23 116.800 114.075 2.725 1
1 177 . 19 1 1 A 23 23 THR CA C 23 61.304 61.428 -0.124 1
1 178 . 19 1 1 A 23 23 THR CB C 23 67.455 71.892 -4.437 1
1 179 . 19 1 1 A 23 23 THR C C 23 170.170 172.518 -2.348 1
1 180 . 19 1 1 A 23 23 THR HA H 23 4.489 4.862 -0.373 1
1 185 . 19 1 1 A 24 24 VAL H H 24 7.792 9.083 -1.291 1
1 186 . 19 1 1 A 24 24 VAL N N 24 123.100 126.927 -3.827 1
1 187 . 19 1 1 A 24 24 VAL CA C 24 58.203 60.514 -2.311 1
1 188 . 19 1 1 A 24 24 VAL CB C 24 31.847 33.444 -1.597 1
1 189 . 19 1 1 A 24 24 VAL C C 24 171.629 174.610 -2.981 1
1 190 . 19 1 1 A 24 24 VAL HA H 24 5.084 4.736 0.348 1
1 195 . 19 1 1 A 25 25 ASP H H 25 8.906 8.676 0.230 1
1 196 . 19 1 1 A 25 25 ASP N N 25 131.200 126.749 4.451 1
1 197 . 19 1 1 A 25 25 ASP CA C 25 50.847 52.265 -1.418 1
1 198 . 19 1 1 A 25 25 ASP CB C 25 38.730 44.953 -6.223 1
1 199 . 19 1 1 A 25 25 ASP C C 25 170.281 174.518 -4.237 1
1 200 . 19 1 1 A 25 25 ASP HA H 25 4.313 5.361 -1.048 1
1 203 . 19 1 1 A 26 26 GLY H H 26 7.891 8.858 -0.967 1
1 204 . 19 1 1 A 26 26 GLY N N 26 102.500 107.274 -4.774 1
1 205 . 19 1 1 A 26 26 GLY CA C 26 42.057 44.627 -2.570 1
1 206 . 19 1 1 A 26 26 GLY C C 26 169.975 172.439 -2.464 1
1 207 . 19 1 1 A 26 26 GLY HA3 H 26 5.529 4.256 1.273 1
1 208 . 19 1 1 A 26 26 GLY HA2 H 26 3.015 4.231 -1.216 1
1 209 . 19 1 1 A 27 27 THR H H 27 8.529 9.110 -0.581 1
1 210 . 19 1 1 A 27 27 THR N N 27 112.700 118.296 -5.596 1
1 211 . 19 1 1 A 27 27 THR CA C 27 56.740 60.679 -3.939 1
1 212 . 19 1 1 A 27 27 THR CB C 27 67.326 72.365 -5.039 1
1 213 . 19 1 1 A 27 27 THR C C 27 170.554 172.764 -2.210 1
1 214 . 19 1 1 A 27 27 THR HA H 27 5.189 3.821 1.368 1
1 219 . 19 1 1 A 28 28 ARG H H 28 8.993 8.287 0.706 1
1 220 . 19 1 1 A 28 28 ARG N N 28 127.500 124.542 2.958 1
1 221 . 19 1 1 A 28 28 ARG CA C 28 54.938 55.589 -0.651 1
1 222 . 19 1 1 A 28 28 ARG CB C 28 37.260 30.508 6.752 1
1 223 . 19 1 1 A 28 28 ARG C C 28 173.450 175.214 -1.764 1
1 224 . 19 1 1 A 28 28 ARG HA H 28 4.691 4.606 0.085 1
1 227 . 19 1 1 A 29 29 ASP H H 29 8.323 8.713 -0.390 1
1 228 . 19 1 1 A 29 29 ASP N N 29 121.000 124.454 -3.454 1
1 229 . 19 1 1 A 29 29 ASP CA C 29 50.779 53.259 -2.480 1
1 230 . 19 1 1 A 29 29 ASP C C 29 172.275 175.277 -3.002 1
1 231 . 19 1 1 A 29 29 ASP HA H 29 4.661 5.371 -0.710 1
1 234 . 19 1 1 A 30 30 ARG H H 30 8.342 8.617 -0.275 1
1 235 . 19 1 1 A 30 30 ARG N N 30 126.100 120.803 5.297 1
1 236 . 19 1 1 A 30 30 ARG CA C 30 54.924 55.501 -0.577 1
1 237 . 19 1 1 A 30 30 ARG CB C 30 28.367 30.594 -2.227 1
1 238 . 19 1 1 A 30 30 ARG C C 30 173.454 176.878 -3.424 1
1 239 . 19 1 1 A 30 30 ARG HA H 30 3.592 4.661 -1.069 1
1 243 . 19 1 1 A 31 31 SER H H 31 8.379 8.176 0.203 1
1 244 . 19 1 1 A 31 31 SER N N 31 113.600 114.357 -0.757 1
1 245 . 19 1 1 A 31 31 SER CA C 31 55.918 59.291 -3.373 1
1 246 . 19 1 1 A 31 31 SER CB C 31 61.807 64.001 -2.194 1
1 247 . 19 1 1 A 31 31 SER C C 31 171.758 173.598 -1.840 1
1 248 . 19 1 1 A 31 31 SER HA H 31 4.397 4.453 -0.056 1
1 251 . 19 1 1 A 32 32 ASP H H 32 7.105 7.920 -0.815 1
1 252 . 19 1 1 A 32 32 ASP N N 32 125.000 121.513 3.487 1
1 253 . 19 1 1 A 32 32 ASP CA C 32 53.116 51.980 1.136 1
1 254 . 19 1 1 A 32 32 ASP CB C 32 41.585 43.644 -2.059 1
1 255 . 19 1 1 A 32 32 ASP C C 32 174.497 175.326 -0.829 1
1 256 . 19 1 1 A 32 32 ASP HA H 32 4.276 4.935 -0.659 1
1 259 . 19 1 1 A 33 33 GLN H H 33 8.775 8.258 0.517 1
1 260 . 19 1 1 A 33 33 GLN N N 33 124.700 121.423 3.277 1
1 261 . 19 1 1 A 33 33 GLN CA C 33 55.127 54.962 0.165 1
1 262 . 19 1 1 A 33 33 GLN CB C 33 26.601 29.057 -2.456 1
1 263 . 19 1 1 A 33 33 GLN C C 33 174.900 175.720 -0.820 1
1 264 . 19 1 1 A 33 33 GLN HA H 33 4.061 4.664 -0.603 1
1 271 . 19 1 1 A 34 34 HIS H H 34 9.681 7.940 1.741 1
1 272 . 19 1 1 A 34 34 HIS N N 34 116.700 118.156 -1.456 1
1 273 . 19 1 1 A 34 34 HIS CA C 34 55.739 57.814 -2.075 1
1 274 . 19 1 1 A 34 34 HIS CB C 34 26.065 31.430 -5.365 1
1 275 . 19 1 1 A 34 34 HIS C C 34 172.307 176.082 -3.775 1
1 276 . 19 1 1 A 34 34 HIS HA H 34 4.885 4.595 0.290 1
1 279 . 19 1 1 A 35 35 ILE H H 35 6.711 7.468 -0.757 1
1 280 . 19 1 1 A 35 35 ILE N N 35 108.600 109.483 -0.883 1
1 281 . 19 1 1 A 35 35 ILE CA C 35 58.395 61.399 -3.004 1
1 282 . 19 1 1 A 35 35 ILE CB C 35 35.989 37.770 -1.781 1
1 283 . 19 1 1 A 35 35 ILE C C 35 172.249 176.277 -4.028 1
1 284 . 19 1 1 A 35 35 ILE HA H 35 5.114 4.877 0.237 1
1 293 . 19 1 1 A 36 36 GLN H H 36 7.148 7.923 -0.775 1
1 294 . 19 1 1 A 36 36 GLN N N 36 120.018 122.115 -2.097 1
1 295 . 19 1 1 A 36 36 GLN CA C 36 55.111 55.150 -0.039 1
1 296 . 19 1 1 A 36 36 GLN CB C 36 25.190 29.016 -3.826 1
1 297 . 19 1 1 A 36 36 GLN C C 36 172.952 175.105 -2.153 1
1 298 . 19 1 1 A 36 36 GLN HA H 36 4.261 4.649 -0.388 1
1 305 . 19 1 1 A 37 37 LEU H H 37 9.110 9.257 -0.147 1
1 306 . 19 1 1 A 37 37 LEU N N 37 127.600 123.403 4.197 1
1 307 . 19 1 1 A 37 37 LEU CA C 37 51.329 53.101 -1.772 1
1 308 . 19 1 1 A 37 37 LEU CB C 37 42.165 44.734 -2.569 1
1 309 . 19 1 1 A 37 37 LEU C C 37 172.877 175.063 -2.186 1
1 310 . 19 1 1 A 37 37 LEU HA H 37 5.315 5.176 0.139 1
1 319 . 19 1 1 A 38 38 GLN H H 38 9.556 9.461 0.095 1
1 320 . 19 1 1 A 38 38 GLN N N 38 120.583 122.913 -2.330 1
1 321 . 19 1 1 A 38 38 GLN CA C 38 51.810 55.075 -3.265 1
1 322 . 19 1 1 A 38 38 GLN CB C 38 29.259 29.670 -0.411 1
1 323 . 19 1 1 A 38 38 GLN C C 38 172.676 174.483 -1.807 1
1 324 . 19 1 1 A 38 38 GLN HA H 38 4.623 4.619 0.004 1
1 328 . 19 1 1 A 39 39 LEU H H 39 8.926 8.999 -0.073 1
1 329 . 19 1 1 A 39 39 LEU N N 39 131.700 129.753 1.947 1
1 330 . 19 1 1 A 39 39 LEU CA C 39 53.062 53.696 -0.634 1
1 331 . 19 1 1 A 39 39 LEU C C 39 174.601 175.054 -0.453 1
1 332 . 19 1 1 A 39 39 LEU HA H 39 5.506 5.074 0.432 1
1 341 . 19 1 1 A 40 40 SER H H 40 8.569 8.768 -0.199 1
1 342 . 19 1 1 A 40 40 SER N N 40 115.900 124.216 -8.316 1
1 343 . 19 1 1 A 40 40 SER CA C 40 54.925 57.524 -2.599 1
1 344 . 19 1 1 A 40 40 SER CB C 40 46.694 66.157 -19.463 1
1 345 . 19 1 1 A 40 40 SER C C 40 170.046 172.904 -2.858 1
1 346 . 19 1 1 A 40 40 SER HA H 40 4.676 5.224 -0.548 1
1 349 . 19 1 1 A 41 41 ALA H H 41 8.357 8.527 -0.170 1
1 350 . 19 1 1 A 41 41 ALA N N 41 125.900 125.081 0.819 1
1 351 . 19 1 1 A 41 41 ALA CA C 41 49.309 50.643 -1.334 1
1 352 . 19 1 1 A 41 41 ALA CB C 41 27.376 20.192 7.184 1
1 353 . 19 1 1 A 41 41 ALA C C 41 175.352 177.127 -1.775 1
1 354 . 19 1 1 A 41 41 ALA HA H 41 5.016 4.886 0.130 1
1 358 . 19 1 1 A 42 42 GLU H H 42 8.485 9.073 -0.588 1
1 359 . 19 1 1 A 42 42 GLU N N 42 125.400 126.344 -0.944 1
1 360 . 19 1 1 A 42 42 GLU CA C 42 54.611 57.549 -2.938 1
1 361 . 19 1 1 A 42 42 GLU CB C 42 28.181 31.118 -2.937 1
1 362 . 19 1 1 A 42 42 GLU C C 42 174.014 175.947 -1.933 1
1 363 . 19 1 1 A 42 42 GLU HA H 42 4.444 4.366 0.078 1
1 368 . 19 1 1 A 43 43 SER H H 43 8.020 7.882 0.138 1
1 369 . 19 1 1 A 43 43 SER N N 43 113.900 115.006 -1.106 1
1 370 . 19 1 1 A 43 43 SER CA C 43 55.014 57.465 -2.451 1
1 371 . 19 1 1 A 43 43 SER CB C 43 61.687 65.893 -4.206 1
1 372 . 19 1 1 A 43 43 SER C C 43 171.119 173.476 -2.357 1
1 373 . 19 1 1 A 43 43 SER HA H 43 4.516 4.792 -0.276 1
1 376 . 19 1 1 A 44 44 VAL H H 44 8.113 8.529 -0.416 1
1 377 . 19 1 1 A 44 44 VAL N N 44 121.100 123.775 -2.675 1
1 378 . 19 1 1 A 44 44 VAL CA C 44 62.838 63.620 -0.782 1
1 379 . 19 1 1 A 44 44 VAL CB C 44 28.991 31.378 -2.387 1
1 380 . 19 1 1 A 44 44 VAL C C 44 175.533 176.737 -1.204 1
1 381 . 19 1 1 A 44 44 VAL HA H 44 3.868 3.849 0.019 1
1 389 . 19 1 1 A 45 45 GLY H H 45 8.807 8.845 -0.038 1
1 390 . 19 1 1 A 45 45 GLY N N 45 115.545 116.484 -0.939 1
1 391 . 19 1 1 A 45 45 GLY CA C 45 43.553 45.042 -1.489 1
1 392 . 19 1 1 A 45 45 GLY C C 45 170.948 173.895 -2.947 1
1 393 . 19 1 1 A 45 45 GLY HA3 H 45 4.296 4.025 0.271 1
1 394 . 19 1 1 A 45 45 GLY HA2 H 45 3.995 4.021 -0.026 1
1 395 . 19 1 1 A 46 46 GLU H H 46 7.985 7.624 0.361 1
1 396 . 19 1 1 A 46 46 GLU N N 46 121.200 117.587 3.613 1
1 397 . 19 1 1 A 46 46 GLU CA C 46 52.751 55.347 -2.596 1
1 398 . 19 1 1 A 46 46 GLU CB C 46 29.432 31.998 -2.566 1
1 399 . 19 1 1 A 46 46 GLU C C 46 173.583 175.652 -2.069 1
1 400 . 19 1 1 A 46 46 GLU HA H 46 5.442 4.955 0.487 1
1 405 . 19 1 1 A 47 47 VAL H H 47 9.560 9.153 0.407 1
1 406 . 19 1 1 A 47 47 VAL N N 47 116.400 118.195 -1.795 1
1 407 . 19 1 1 A 47 47 VAL CA C 47 56.846 59.804 -2.958 1
1 408 . 19 1 1 A 47 47 VAL CB C 47 33.714 34.859 -1.145 1
1 409 . 19 1 1 A 47 47 VAL C C 47 172.960 173.559 -0.599 1
1 410 . 19 1 1 A 47 47 VAL HA H 47 5.505 5.251 0.254 1
1 418 . 19 1 1 A 48 48 TYR H H 48 8.415 9.254 -0.839 1
1 419 . 19 1 1 A 48 48 TYR N N 48 117.400 125.713 -8.313 1
1 420 . 19 1 1 A 48 48 TYR CA C 48 54.331 55.698 -1.367 1
1 421 . 19 1 1 A 48 48 TYR CB C 48 39.296 41.395 -2.099 1
1 422 . 19 1 1 A 48 48 TYR C C 48 173.423 173.784 -0.361 1
1 423 . 19 1 1 A 48 48 TYR HA H 48 5.290 5.322 -0.032 1
1 426 . 19 1 1 A 49 49 ILE H H 49 10.532 8.621 1.911 1
1 427 . 19 1 1 A 49 49 ILE N N 49 123.100 128.406 -5.306 1
1 428 . 19 1 1 A 49 49 ILE CA C 49 59.573 60.247 -0.674 1
1 429 . 19 1 1 A 49 49 ILE CB C 49 40.504 37.644 2.860 1
1 430 . 19 1 1 A 49 49 ILE C C 49 170.853 175.030 -4.177 1
1 431 . 19 1 1 A 49 49 ILE HA H 49 4.341 4.677 -0.336 1
1 438 . 19 1 1 A 50 50 LYS H H 50 8.511 8.708 -0.197 1
1 439 . 19 1 1 A 50 50 LYS N N 50 125.800 124.632 1.168 1
1 440 . 19 1 1 A 50 50 LYS CA C 50 51.179 54.516 -3.337 1
1 441 . 19 1 1 A 50 50 LYS CB C 50 34.816 36.268 -1.452 1
1 442 . 19 1 1 A 50 50 LYS C C 50 173.759 175.218 -1.459 1
1 443 . 19 1 1 A 50 50 LYS HA H 50 4.991 5.115 -0.124 1
1 451 . 19 1 1 A 51 51 SER H H 51 8.920 8.852 0.068 1
1 452 . 19 1 1 A 51 51 SER N N 51 117.579 117.690 -0.111 1
1 453 . 19 1 1 A 51 51 SER CA C 51 55.043 57.843 -2.800 1
1 454 . 19 1 1 A 51 51 SER CB C 51 61.065 63.697 -2.632 1
1 455 . 19 1 1 A 51 51 SER C C 51 175.084 174.412 0.672 1
1 456 . 19 1 1 A 51 51 SER HA H 51 4.666 4.559 0.107 1
1 459 . 19 1 1 A 52 52 THR H H 52 8.342 8.213 0.129 1
1 460 . 19 1 1 A 52 52 THR N N 52 123.200 122.457 0.743 1
1 461 . 19 1 1 A 52 52 THR CA C 52 62.792 64.793 -2.001 1
1 462 . 19 1 1 A 52 52 THR CB C 52 65.611 68.985 -3.374 1
1 463 . 19 1 1 A 52 52 THR C C 52 173.566 176.054 -2.488 1
1 464 . 19 1 1 A 52 52 THR HA H 52 3.996 3.984 0.012 1
1 469 . 19 1 1 A 53 53 GLU H H 53 8.312 8.248 0.064 1
1 470 . 19 1 1 A 53 53 GLU N N 53 122.000 120.753 1.247 1
1 471 . 19 1 1 A 53 53 GLU CA C 53 55.889 58.055 -2.166 1
1 472 . 19 1 1 A 53 53 GLU CB C 53 28.359 30.786 -2.427 1
1 473 . 19 1 1 A 53 53 GLU C C 53 175.327 177.880 -2.553 1
1 474 . 19 1 1 A 53 53 GLU HA H 53 4.311 4.407 -0.096 1
1 477 . 19 1 1 A 54 54 THR H H 54 7.724 7.946 -0.222 1
1 478 . 19 1 1 A 54 54 THR N N 54 103.100 110.540 -7.440 1
1 479 . 19 1 1 A 54 54 THR CA C 54 58.555 62.013 -3.458 1
1 480 . 19 1 1 A 54 54 THR CB C 54 69.030 69.442 -0.412 1
1 481 . 19 1 1 A 54 54 THR C C 54 173.942 175.528 -1.586 1
1 482 . 19 1 1 A 54 54 THR HA H 54 4.681 4.700 -0.019 1
1 487 . 19 1 1 A 55 55 GLY H H 55 7.643 8.418 -0.775 1
1 488 . 19 1 1 A 55 55 GLY N N 55 110.700 110.599 0.101 1
1 489 . 19 1 1 A 55 55 GLY CA C 55 43.594 45.834 -2.240 1
1 490 . 19 1 1 A 55 55 GLY HA3 H 55 4.150 3.995 0.155 1
1 491 . 19 1 1 A 55 55 GLY HA2 H 55 3.591 3.984 -0.393 1
1 492 . 19 1 1 A 55 55 GLY C C 55 170.694 174.338 -3.644 1
1 493 . 19 1 1 A 56 56 GLN H H 56 7.211 7.556 -0.345 1
1 494 . 19 1 1 A 56 56 GLN N N 56 115.700 113.058 2.642 1
1 495 . 19 1 1 A 56 56 GLN CA C 56 53.898 55.111 -1.213 1
1 496 . 19 1 1 A 56 56 GLN CB C 56 30.456 30.763 -0.307 1
1 497 . 19 1 1 A 56 56 GLN C C 56 172.141 172.605 -0.464 1
1 498 . 19 1 1 A 56 56 GLN HA H 56 4.311 5.072 -0.761 1
1 504 . 19 1 1 A 57 57 TYR H H 57 9.254 8.917 0.337 1
1 505 . 19 1 1 A 57 57 TYR N N 57 119.400 123.548 -4.148 1
1 506 . 19 1 1 A 57 57 TYR CA C 57 53.356 56.169 -2.813 1
1 507 . 19 1 1 A 57 57 TYR CB C 57 40.466 38.621 1.845 1
1 508 . 19 1 1 A 57 57 TYR C C 57 173.320 173.973 -0.653 1
1 509 . 19 1 1 A 57 57 TYR HA H 57 4.128 6.527 -2.399 1
1 512 . 19 1 1 A 58 58 LEU H H 58 9.126 8.736 0.390 1
1 513 . 19 1 1 A 58 58 LEU N N 58 123.600 128.990 -5.390 1
1 514 . 19 1 1 A 58 58 LEU CA C 58 53.256 55.599 -2.343 1
1 515 . 19 1 1 A 58 58 LEU CB C 58 40.466 42.204 -1.738 1
1 516 . 19 1 1 A 58 58 LEU C C 58 172.320 174.636 -2.316 1
1 517 . 19 1 1 A 58 58 LEU HA H 58 4.128 4.256 -0.128 1
1 524 . 19 1 1 A 59 59 ALA H H 59 8.656 8.069 0.587 1
1 525 . 19 1 1 A 59 59 ALA N N 59 126.947 127.712 -0.765 1
1 526 . 19 1 1 A 59 59 ALA CA C 59 48.450 50.168 -1.718 1
1 527 . 19 1 1 A 59 59 ALA CB C 59 21.261 19.911 1.350 1
1 528 . 19 1 1 A 59 59 ALA C C 59 172.722 175.299 -2.577 1
1 529 . 19 1 1 A 59 59 ALA HA H 59 5.124 4.623 0.501 1
1 533 . 19 1 1 A 60 60 MET H H 60 7.521 9.107 -1.586 1
1 534 . 19 1 1 A 60 60 MET N N 60 116.602 125.686 -9.084 1
1 535 . 19 1 1 A 60 60 MET CA C 60 52.251 55.041 -2.790 1
1 536 . 19 1 1 A 60 60 MET CB C 60 35.046 33.840 1.206 1
1 537 . 19 1 1 A 60 60 MET C C 60 173.753 174.948 -1.195 1
1 538 . 19 1 1 A 60 60 MET HA H 60 5.527 4.752 0.775 1
1 543 . 19 1 1 A 61 61 ASP H H 61 9.159 8.738 0.421 1
1 544 . 19 1 1 A 61 61 ASP N N 61 128.445 127.727 0.718 1
1 545 . 19 1 1 A 61 61 ASP CA C 61 51.480 52.536 -1.056 1
1 546 . 19 1 1 A 61 61 ASP CB C 61 39.346 41.498 -2.152 1
1 547 . 19 1 1 A 61 61 ASP C C 61 175.800 176.408 -0.608 1
1 548 . 19 1 1 A 61 61 ASP HA H 61 5.046 4.976 0.070 1
1 551 . 19 1 1 A 62 62 THR H H 62 7.972 8.678 -0.706 1
1 552 . 19 1 1 A 62 62 THR N N 62 107.806 118.813 -11.007 1
1 553 . 19 1 1 A 62 62 THR CA C 62 62.626 63.782 -1.156 1
1 554 . 19 1 1 A 62 62 THR CB C 62 66.955 66.939 0.016 1
1 555 . 19 1 1 A 62 62 THR C C 62 172.355 174.927 -2.572 1
1 556 . 19 1 1 A 62 62 THR HA H 62 4.134 4.406 -0.272 1
1 561 . 19 1 1 A 63 63 ASP H H 63 8.333 8.711 -0.378 1
1 562 . 19 1 1 A 63 63 ASP N N 63 119.831 121.780 -1.949 1
1 563 . 19 1 1 A 63 63 ASP CA C 63 51.865 55.424 -3.559 1
1 564 . 19 1 1 A 63 63 ASP CB C 63 39.182 40.616 -1.434 1
1 565 . 19 1 1 A 63 63 ASP C C 63 174.438 176.905 -2.467 1
1 566 . 19 1 1 A 63 63 ASP HA H 63 4.964 4.282 0.682 1
1 569 . 19 1 1 A 64 64 GLY H H 64 8.264 8.327 -0.063 1
1 570 . 19 1 1 A 64 64 GLY N N 64 109.142 107.181 1.961 1
1 571 . 19 1 1 A 64 64 GLY CA C 64 42.923 45.922 -2.999 1
1 572 . 19 1 1 A 64 64 GLY C C 64 171.248 173.813 -2.565 1
1 573 . 19 1 1 A 64 64 GLY HA3 H 64 3.652 4.134 -0.482 1
1 574 . 19 1 1 A 64 64 GLY HA2 H 64 3.397 3.851 -0.454 1
1 575 . 19 1 1 A 65 65 LEU H H 65 8.636 7.278 1.358 1
1 576 . 19 1 1 A 65 65 LEU N N 65 123.137 119.307 3.830 1
1 577 . 19 1 1 A 65 65 LEU CA C 65 52.224 53.602 -1.378 1
1 578 . 19 1 1 A 65 65 LEU CB C 65 40.557 46.233 -5.676 1
1 579 . 19 1 1 A 65 65 LEU C C 65 174.507 175.296 -0.789 1
1 580 . 19 1 1 A 65 65 LEU HA H 65 4.529 4.887 -0.358 1
1 590 . 19 1 1 A 66 66 LEU H H 66 7.431 8.837 -1.406 1
1 591 . 19 1 1 A 66 66 LEU N N 66 124.493 124.090 0.403 1
1 592 . 19 1 1 A 66 66 LEU CA C 66 51.635 53.544 -1.909 1
1 593 . 19 1 1 A 66 66 LEU CB C 66 40.474 42.320 -1.846 1
1 594 . 19 1 1 A 66 66 LEU C C 66 174.070 175.767 -1.697 1
1 595 . 19 1 1 A 66 66 LEU HA H 66 5.714 5.064 0.650 1
1 605 . 19 1 1 A 67 67 TYR H H 67 9.237 8.781 0.456 1
1 606 . 19 1 1 A 67 67 TYR N N 67 120.360 122.499 -2.139 1
1 607 . 19 1 1 A 67 67 TYR CA C 67 54.076 55.002 -0.926 1
1 608 . 19 1 1 A 67 67 TYR CB C 67 38.903 42.103 -3.200 1
1 609 . 19 1 1 A 67 67 TYR C C 67 169.640 174.118 -4.478 1
1 610 . 19 1 1 A 67 67 TYR HA H 67 5.023 5.888 -0.865 1
1 612 . 19 1 1 A 68 68 GLY H H 68 8.928 8.454 0.474 1
1 613 . 19 1 1 A 68 68 GLY N N 68 105.646 106.479 -0.833 1
1 614 . 19 1 1 A 68 68 GLY CA C 68 41.569 45.764 -4.195 1
1 615 . 19 1 1 A 68 68 GLY C C 68 170.551 173.683 -3.132 1
1 616 . 19 1 1 A 68 68 GLY HA2 H 68 4.676 4.085 0.591 1
1 617 . 19 1 1 A 69 69 SER H H 69 9.608 9.323 0.285 1
1 618 . 19 1 1 A 69 69 SER N N 69 120.100 119.235 0.865 1
1 619 . 19 1 1 A 69 69 SER CA C 69 53.737 59.503 -5.766 1
1 620 . 19 1 1 A 69 69 SER CB C 69 63.042 65.730 -2.688 1
1 621 . 19 1 1 A 69 69 SER C C 69 174.219 175.131 -0.912 1
1 622 . 19 1 1 A 69 69 SER HA H 69 4.966 4.803 0.163 1
1 625 . 19 1 1 A 70 70 GLN H H 70 9.343 8.136 1.207 1
1 626 . 19 1 1 A 70 70 GLN N N 70 127.339 120.348 6.991 1
1 627 . 19 1 1 A 70 70 GLN CA C 70 56.139 57.843 -1.704 1
1 628 . 19 1 1 A 70 70 GLN CB C 70 27.092 29.952 -2.860 1
1 629 . 19 1 1 A 70 70 GLN C C 70 173.241 175.549 -2.308 1
1 630 . 19 1 1 A 70 70 GLN HA H 70 4.286 4.217 0.069 1
1 638 . 19 1 1 A 71 71 THR H H 71 7.532 8.193 -0.661 1
1 639 . 19 1 1 A 71 71 THR N N 71 108.100 109.125 -1.025 1
1 640 . 19 1 1 A 71 71 THR CA C 71 55.203 59.095 -3.892 1
1 641 . 19 1 1 A 71 71 THR HA H 71 4.780 5.017 -0.237 1
1 643 . 19 1 1 A 72 72 PRO CA C 72 60.050 62.215 -2.165 1
1 644 . 19 1 1 A 72 72 PRO CB C 72 26.678 31.073 -4.395 1
1 645 . 19 1 1 A 72 72 PRO C C 72 172.920 176.675 -3.755 1
1 646 . 19 1 1 A 72 72 PRO HA H 72 4.173 5.011 -0.838 1
1 649 . 19 1 1 A 73 73 ASN H H 73 7.321 8.713 -1.392 1
1 650 . 19 1 1 A 73 73 ASN N N 73 119.200 117.871 1.329 1
1 651 . 19 1 1 A 73 73 ASN CA C 73 49.994 51.469 -1.475 1
1 652 . 19 1 1 A 74 74 GLU H H 74 9.030 8.772 0.258 1
1 653 . 19 1 1 A 74 74 GLU CA C 74 57.131 55.069 2.062 1
1 654 . 19 1 1 A 74 74 GLU CB C 74 27.005 30.074 -3.069 1
1 655 . 19 1 1 A 74 74 GLU C C 74 176.352 175.961 0.391 1
1 656 . 19 1 1 A 74 74 GLU HA H 74 4.130 4.555 -0.425 1
1 661 . 19 1 1 A 75 75 GLU H H 75 8.574 8.300 0.274 1
1 662 . 19 1 1 A 75 75 GLU N N 75 119.200 123.990 -4.790 1
1 663 . 19 1 1 A 75 75 GLU CA C 75 56.343 56.677 -0.334 1
1 664 . 19 1 1 A 75 75 GLU CB C 75 26.028 31.745 -5.717 1
1 665 . 19 1 1 A 75 75 GLU C C 75 173.866 177.134 -3.268 1
1 666 . 19 1 1 A 75 75 GLU HA H 75 4.206 4.507 -0.301 1
1 671 . 19 1 1 A 76 76 CYS H H 76 7.727 7.742 -0.015 1
1 672 . 19 1 1 A 76 76 CYS N N 76 113.800 117.192 -3.392 1
1 673 . 19 1 1 A 76 76 CYS CA C 76 55.635 59.642 -4.007 1
1 674 . 19 1 1 A 76 76 CYS CB C 76 26.036 27.310 -1.274 1
1 675 . 19 1 1 A 76 76 CYS C C 76 170.849 174.350 -3.501 1
1 676 . 19 1 1 A 76 76 CYS HA H 76 5.426 3.804 1.622 1
1 679 . 19 1 1 A 77 77 LEU H H 77 6.241 7.097 -0.856 1
1 680 . 19 1 1 A 77 77 LEU N N 77 118.069 123.711 -5.642 1
1 681 . 19 1 1 A 77 77 LEU CA C 77 51.793 55.397 -3.604 1
1 682 . 19 1 1 A 77 77 LEU CB C 77 42.123 41.754 0.369 1
1 683 . 19 1 1 A 77 77 LEU C C 77 173.882 176.338 -2.456 1
1 684 . 19 1 1 A 77 77 LEU HA H 77 4.555 3.752 0.803 1
1 694 . 19 1 1 A 78 78 PHE H H 78 9.067 8.649 0.418 1
1 695 . 19 1 1 A 78 78 PHE N N 78 122.377 123.654 -1.277 1
1 696 . 19 1 1 A 78 78 PHE CA C 78 54.917 56.326 -1.409 1
1 697 . 19 1 1 A 78 78 PHE CB C 78 40.597 43.546 -2.949 1
1 698 . 19 1 1 A 78 78 PHE C C 78 171.853 174.414 -2.561 1
1 699 . 19 1 1 A 78 78 PHE HA H 78 5.169 5.158 0.011 1
1 702 . 19 1 1 A 79 79 LEU H H 79 9.958 9.349 0.609 1
1 703 . 19 1 1 A 79 79 LEU N N 79 122.126 122.987 -0.861 1
1 704 . 19 1 1 A 79 79 LEU CA C 79 51.232 54.049 -2.817 1
1 705 . 19 1 1 A 79 79 LEU CB C 79 38.511 44.864 -6.353 1
1 706 . 19 1 1 A 79 79 LEU C C 79 173.055 175.288 -2.233 1
1 707 . 19 1 1 A 79 79 LEU HA H 79 4.686 5.145 -0.459 1
1 713 . 19 1 1 A 80 80 GLU H H 80 8.347 9.401 -1.054 1
1 714 . 19 1 1 A 80 80 GLU N N 80 126.300 127.742 -1.442 1
1 715 . 19 1 1 A 80 80 GLU CA C 80 52.558 55.332 -2.774 1
1 716 . 19 1 1 A 80 80 GLU CB C 80 30.892 31.113 -0.221 1
1 717 . 19 1 1 A 80 80 GLU C C 80 173.355 175.115 -1.760 1
1 718 . 19 1 1 A 80 80 GLU HA H 80 4.832 4.450 0.382 1
1 721 . 19 1 1 A 81 81 ARG H H 81 8.840 8.648 0.192 1
1 722 . 19 1 1 A 81 81 ARG N N 81 129.522 128.135 1.387 1
1 723 . 19 1 1 A 81 81 ARG CA C 81 52.288 54.749 -2.461 1
1 724 . 19 1 1 A 81 81 ARG CB C 81 38.588 33.082 5.506 1
1 725 . 19 1 1 A 81 81 ARG C C 81 172.258 174.610 -2.352 1
1 726 . 19 1 1 A 81 81 ARG HA H 81 4.659 4.802 -0.143 1
1 732 . 19 1 1 A 82 82 LEU H H 82 8.347 8.638 -0.291 1
1 733 . 19 1 1 A 82 82 LEU N N 82 125.700 123.477 2.223 1
1 734 . 19 1 1 A 82 82 LEU CA C 82 52.631 53.763 -1.132 1
1 735 . 19 1 1 A 82 82 LEU CB C 82 40.304 42.817 -2.513 1
1 736 . 19 1 1 A 82 82 LEU C C 82 174.567 175.852 -1.285 1
1 737 . 19 1 1 A 82 82 LEU HA H 82 4.875 4.725 0.150 1
1 744 . 19 1 1 A 83 83 GLU H H 83 9.064 8.410 0.654 1
1 745 . 19 1 1 A 83 83 GLU N N 83 125.600 123.966 1.634 1
1 746 . 19 1 1 A 83 83 GLU CA C 83 51.723 55.290 -3.567 1
1 747 . 19 1 1 A 83 83 GLU CB C 83 43.703 30.907 12.796 1
1 748 . 19 1 1 A 83 83 GLU C C 83 174.885 176.018 -1.133 1
1 749 . 19 1 1 A 83 83 GLU HA H 83 4.974 5.135 -0.161 1
1 752 . 19 1 1 A 84 84 GLU H H 84 8.806 8.746 0.060 1
1 753 . 19 1 1 A 84 84 GLU N N 84 120.300 123.438 -3.138 1
1 754 . 19 1 1 A 84 84 GLU CA C 84 55.553 55.482 0.071 1
1 755 . 19 1 1 A 84 84 GLU CB C 84 27.117 31.090 -3.973 1
1 756 . 19 1 1 A 84 84 GLU C C 84 174.261 175.708 -1.447 1
1 757 . 19 1 1 A 84 84 GLU HA H 84 4.112 4.633 -0.521 1
1 761 . 19 1 1 A 85 85 ASN H H 85 8.429 8.504 -0.075 1
1 762 . 19 1 1 A 85 85 ASN N N 85 114.800 114.578 0.222 1
1 763 . 19 1 1 A 85 85 ASN CA C 85 51.788 54.672 -2.884 1
1 764 . 19 1 1 A 85 85 ASN CB C 85 35.301 36.735 -1.434 1
1 765 . 19 1 1 A 85 85 ASN C C 85 172.203 174.507 -2.304 1
1 766 . 19 1 1 A 85 85 ASN HA H 85 4.343 4.481 -0.138 1
1 769 . 19 1 1 A 86 86 HIS H H 86 8.081 8.001 0.080 1
1 770 . 19 1 1 A 86 86 HIS N N 86 108.737 116.738 -8.001 1
1 771 . 19 1 1 A 86 86 HIS CA C 86 55.255 56.720 -1.465 1
1 772 . 19 1 1 A 86 86 HIS CB C 86 24.858 32.775 -7.917 1
1 773 . 19 1 1 A 86 86 HIS C C 86 171.039 174.055 -3.016 1
1 774 . 19 1 1 A 86 86 HIS HA H 86 4.260 4.851 -0.591 1
1 777 . 19 1 1 A 87 87 TYR H H 87 7.592 8.072 -0.480 1
1 778 . 19 1 1 A 87 87 TYR N N 87 117.738 117.453 0.285 1
1 779 . 19 1 1 A 87 87 TYR CA C 87 56.163 57.418 -1.255 1
1 780 . 19 1 1 A 87 87 TYR CB C 87 38.643 40.316 -1.673 1
1 781 . 19 1 1 A 87 87 TYR C C 87 171.983 175.968 -3.985 1
1 782 . 19 1 1 A 87 87 TYR HA H 87 4.836 4.598 0.238 1
1 784 . 19 1 1 A 88 88 ASN H H 88 9.840 8.815 1.025 1
1 785 . 19 1 1 A 88 88 ASN N N 88 118.891 120.729 -1.838 1
1 786 . 19 1 1 A 88 88 ASN CA C 88 50.063 52.636 -2.573 1
1 787 . 19 1 1 A 88 88 ASN CB C 88 40.242 40.702 -0.460 1
1 788 . 19 1 1 A 88 88 ASN C C 88 172.471 174.710 -2.239 1
1 789 . 19 1 1 A 88 88 ASN HA H 88 5.837 5.171 0.666 1
1 795 . 19 1 1 A 89 89 THR H H 89 8.380 8.416 -0.036 1
1 796 . 19 1 1 A 89 89 THR N N 89 108.521 116.130 -7.609 1
1 797 . 19 1 1 A 89 89 THR CA C 89 57.357 60.307 -2.950 1
1 798 . 19 1 1 A 89 89 THR CB C 89 70.868 72.623 -1.755 1
1 799 . 19 1 1 A 89 89 THR C C 89 170.548 172.383 -1.835 1
1 800 . 19 1 1 A 89 89 THR HA H 89 5.127 5.201 -0.074 1
1 805 . 19 1 1 A 90 90 TYR H H 90 10.247 8.823 1.424 1
1 806 . 19 1 1 A 90 90 TYR N N 90 119.000 121.771 -2.771 1
1 807 . 19 1 1 A 90 90 TYR CA C 90 55.106 56.009 -0.903 1
1 808 . 19 1 1 A 90 90 TYR CB C 90 39.047 41.853 -2.806 1
1 809 . 19 1 1 A 90 90 TYR C C 90 172.442 174.015 -1.573 1
1 810 . 19 1 1 A 90 90 TYR HA H 90 5.472 5.223 0.249 1
1 812 . 19 1 1 A 91 91 ILE H H 91 8.781 8.976 -0.195 1
1 813 . 19 1 1 A 91 91 ILE N N 91 122.546 125.105 -2.559 1
1 814 . 19 1 1 A 91 91 ILE CA C 91 56.346 59.108 -2.762 1
1 815 . 19 1 1 A 91 91 ILE CB C 91 36.627 40.829 -4.202 1
1 816 . 19 1 1 A 91 91 ILE C C 91 172.924 175.438 -2.514 1
1 817 . 19 1 1 A 91 91 ILE HA H 91 4.673 4.872 -0.199 1
1 826 . 19 1 1 A 92 92 SER H H 92 8.191 8.564 -0.373 1
1 827 . 19 1 1 A 92 92 SER N N 92 120.200 119.698 0.502 1
1 828 . 19 1 1 A 92 92 SER CA C 92 55.781 57.126 -1.345 1
1 829 . 19 1 1 A 92 92 SER CB C 92 62.382 63.770 -1.388 1
1 830 . 19 1 1 A 92 92 SER C C 92 172.863 175.349 -2.486 1
1 831 . 19 1 1 A 92 92 SER HA H 92 4.016 5.107 -1.091 1
1 833 . 19 1 1 A 93 93 LYS H H 93 7.993 8.678 -0.685 1
1 834 . 19 1 1 A 93 93 LYS N N 93 130.618 122.285 8.333 1
1 835 . 19 1 1 A 93 93 LYS CA C 93 57.942 58.360 -0.418 1
1 836 . 19 1 1 A 93 93 LYS CB C 93 30.889 31.821 -0.932 1
1 837 . 19 1 1 A 93 93 LYS C C 93 176.938 178.728 -1.790 1
1 838 . 19 1 1 A 93 93 LYS HA H 93 3.779 4.225 -0.446 1
1 844 . 19 1 1 A 94 94 LYS H H 94 8.616 7.889 0.727 1
1 845 . 19 1 1 A 94 94 LYS N N 94 120.044 120.840 -0.796 1
1 846 . 19 1 1 A 94 94 LYS CA C 94 55.868 58.991 -3.123 1
1 847 . 19 1 1 A 94 94 LYS CB C 94 30.329 32.700 -2.371 1
1 848 . 19 1 1 A 94 94 LYS C C 94 174.491 177.921 -3.430 1
1 849 . 19 1 1 A 94 94 LYS HA H 94 3.851 4.093 -0.242 1
1 856 . 19 1 1 A 95 95 HIS H H 95 7.249 8.198 -0.949 1
1 857 . 19 1 1 A 95 95 HIS N N 95 114.486 116.240 -1.754 1
1 858 . 19 1 1 A 95 95 HIS CA C 95 51.180 54.724 -3.544 1
1 859 . 19 1 1 A 95 95 HIS CB C 95 26.844 28.656 -1.812 1
1 860 . 19 1 1 A 95 95 HIS C C 95 173.734 175.933 -2.199 1
1 861 . 19 1 1 A 95 95 HIS HA H 95 4.604 4.894 -0.290 1
1 864 . 19 1 1 A 96 96 ALA H H 96 7.104 7.854 -0.750 1
1 865 . 19 1 1 A 96 96 ALA N N 96 125.204 123.973 1.231 1
1 866 . 19 1 1 A 96 96 ALA CA C 96 53.758 55.431 -1.673 1
1 867 . 19 1 1 A 96 96 ALA CB C 96 16.578 18.357 -1.779 1
1 868 . 19 1 1 A 96 96 ALA C C 96 178.508 179.536 -1.028 1
1 869 . 19 1 1 A 96 96 ALA HA H 96 4.131 3.859 0.272 1
1 873 . 19 1 1 A 97 97 GLU H H 97 8.857 8.050 0.807 1
1 874 . 19 1 1 A 97 97 GLU N N 97 118.007 118.847 -0.840 1
1 875 . 19 1 1 A 97 97 GLU CA C 97 56.153 59.247 -3.094 1
1 876 . 19 1 1 A 97 97 GLU CB C 97 26.241 29.635 -3.394 1
1 877 . 19 1 1 A 97 97 GLU C C 97 174.813 177.855 -3.042 1
1 878 . 19 1 1 A 97 97 GLU HA H 97 4.063 4.080 -0.017 1
1 882 . 19 1 1 A 98 98 LYS H H 98 7.116 7.485 -0.369 1
1 883 . 19 1 1 A 98 98 LYS N N 98 116.241 116.711 -0.470 1
1 884 . 19 1 1 A 98 98 LYS CA C 98 52.852 56.054 -3.202 1
1 885 . 19 1 1 A 98 98 LYS CB C 98 29.959 32.541 -2.582 1
1 886 . 19 1 1 A 98 98 LYS C C 98 173.361 176.194 -2.833 1
1 887 . 19 1 1 A 98 98 LYS HA H 98 4.280 4.375 -0.095 1
1 893 . 19 1 1 A 99 99 ASN H H 99 7.842 8.232 -0.390 1
1 894 . 19 1 1 A 99 99 ASN N N 99 113.000 116.353 -3.353 1
1 895 . 19 1 1 A 99 99 ASN CA C 99 52.240 54.486 -2.246 1
1 896 . 19 1 1 A 99 99 ASN CB C 99 35.289 37.816 -2.527 1
1 897 . 19 1 1 A 99 99 ASN C C 99 170.506 174.977 -4.471 1
1 898 . 19 1 1 A 99 99 ASN HA H 99 3.772 4.206 -0.434 1
1 904 . 19 1 1 A 100 100 TRP H H 100 6.369 7.658 -1.289 1
1 905 . 19 1 1 A 100 100 TRP N N 100 116.000 121.518 -5.518 1
1 906 . 19 1 1 A 100 100 TRP CA C 100 53.179 58.263 -5.084 1
1 907 . 19 1 1 A 100 100 TRP CB C 100 28.228 30.403 -2.175 1
1 908 . 19 1 1 A 100 100 TRP C C 100 171.701 175.266 -3.565 1
1 909 . 19 1 1 A 100 100 TRP HA H 100 4.816 4.612 0.204 1
1 912 . 19 1 1 A 101 101 PHE H H 101 8.026 8.872 -0.846 1
1 913 . 19 1 1 A 101 101 PHE N N 101 124.185 124.692 -0.507 1
1 914 . 19 1 1 A 101 101 PHE CA C 101 55.472 56.726 -1.254 1
1 915 . 19 1 1 A 101 101 PHE CB C 101 39.220 41.355 -2.135 1
1 916 . 19 1 1 A 101 101 PHE C C 101 175.044 175.328 -0.284 1
1 917 . 19 1 1 A 101 101 PHE HA H 101 5.373 5.063 0.310 1
1 920 . 19 1 1 A 102 102 VAL H H 102 8.499 8.443 0.056 1
1 921 . 19 1 1 A 102 102 VAL N N 102 120.282 122.977 -2.695 1
1 922 . 19 1 1 A 102 102 VAL CA C 102 60.975 61.576 -0.601 1
1 923 . 19 1 1 A 102 102 VAL CB C 102 30.243 31.062 -0.819 1
1 924 . 19 1 1 A 102 102 VAL C C 102 174.220 175.878 -1.658 1
1 925 . 19 1 1 A 102 102 VAL HA H 102 3.939 4.189 -0.250 1
1 930 . 19 1 1 A 103 103 GLY H H 103 8.996 8.576 0.420 1
1 931 . 19 1 1 A 103 103 GLY N N 103 114.668 115.319 -0.651 1
1 932 . 19 1 1 A 103 103 GLY CA C 103 43.802 44.360 -0.558 1
1 933 . 19 1 1 A 103 103 GLY C C 103 169.388 172.249 -2.861 1
1 934 . 19 1 1 A 103 103 GLY HA2 H 103 5.275 4.362 0.913 1
1 935 . 19 1 1 A 103 103 GLY HA3 H 103 3.180 4.462 -1.282 1
1 936 . 19 1 1 A 104 104 LEU H H 104 8.118 8.270 -0.152 1
1 937 . 19 1 1 A 104 104 LEU N N 104 119.100 120.518 -1.418 1
1 938 . 19 1 1 A 104 104 LEU CA C 104 51.207 52.282 -1.075 1
1 939 . 19 1 1 A 104 104 LEU CB C 104 43.579 46.256 -2.677 1
1 940 . 19 1 1 A 104 104 LEU C C 104 174.252 174.433 -0.181 1
1 941 . 19 1 1 A 104 104 LEU HA H 104 4.959 5.217 -0.258 1
1 950 . 19 1 1 A 105 105 LYS H H 105 8.847 8.450 0.397 1
1 951 . 19 1 1 A 105 105 LYS N N 105 118.900 121.238 -2.338 1
1 952 . 19 1 1 A 105 105 LYS CA C 105 54.035 54.751 -0.716 1
1 953 . 19 1 1 A 105 105 LYS C C 105 176.404 176.817 -0.413 1
1 954 . 19 1 1 A 105 105 LYS HA H 105 4.215 4.716 -0.501 1
1 960 . 19 1 1 A 106 106 LYS H H 106 8.980 8.748 0.232 1
1 961 . 19 1 1 A 106 106 LYS N N 106 122.172 125.287 -3.115 1
1 962 . 19 1 1 A 106 106 LYS CA C 106 57.672 58.492 -0.820 1
1 963 . 19 1 1 A 106 106 LYS CB C 106 29.780 32.073 -2.293 1
1 964 . 19 1 1 A 106 106 LYS C C 106 174.499 178.211 -3.712 1
1 965 . 19 1 1 A 106 106 LYS HA H 106 3.624 4.101 -0.477 1
1 970 . 19 1 1 A 107 107 ASN H H 107 7.352 8.051 -0.699 1
1 971 . 19 1 1 A 107 107 ASN N N 107 112.743 118.065 -5.322 1
1 972 . 19 1 1 A 107 107 ASN CA C 107 49.523 55.565 -6.042 1
1 973 . 19 1 1 A 107 107 ASN CB C 107 35.121 38.210 -3.089 1
1 974 . 19 1 1 A 107 107 ASN C C 107 174.511 176.311 -1.800 1
1 975 . 19 1 1 A 107 107 ASN HA H 107 4.678 4.670 0.008 1
1 978 . 19 1 1 A 108 108 GLY H H 108 7.656 7.944 -0.288 1
1 979 . 19 1 1 A 108 108 GLY N N 108 109.900 108.109 1.791 1
1 980 . 19 1 1 A 108 108 GLY CA C 108 42.207 45.787 -3.580 1
1 981 . 19 1 1 A 108 108 GLY C C 108 169.305 173.997 -4.692 1
1 982 . 19 1 1 A 108 108 GLY HA3 H 108 3.358 4.116 -0.758 1
1 983 . 19 1 1 A 108 108 GLY HA2 H 108 2.111 4.078 -1.967 1
1 984 . 19 1 1 A 109 109 SER H H 109 7.280 8.064 -0.784 1
1 985 . 19 1 1 A 109 109 SER N N 109 112.357 110.748 1.609 1
1 986 . 19 1 1 A 109 109 SER CA C 109 55.139 57.234 -2.095 1
1 987 . 19 1 1 A 109 109 SER CB C 109 62.749 65.595 -2.846 1
1 988 . 19 1 1 A 109 109 SER C C 109 171.244 172.445 -1.201 1
1 989 . 19 1 1 A 109 109 SER HA H 109 4.755 4.949 -0.194 1
1 992 . 19 1 1 A 110 110 CYS H H 110 9.070 8.745 0.325 1
1 993 . 19 1 1 A 110 110 CYS N N 110 119.883 120.878 -0.995 1
1 994 . 19 1 1 A 110 110 CYS CA C 110 57.858 57.387 0.471 1
1 995 . 19 1 1 A 110 110 CYS CB C 110 37.322 28.253 9.069 1
1 996 . 19 1 1 A 110 110 CYS C C 110 172.131 173.783 -1.652 1
1 997 . 19 1 1 A 110 110 CYS HA H 110 4.296 4.973 -0.677 1
1 1000 . 19 1 1 A 111 111 LYS H H 111 8.095 8.801 -0.706 1
1 1001 . 19 1 1 A 111 111 LYS N N 111 128.642 124.136 4.506 1
1 1002 . 19 1 1 A 111 111 LYS CA C 111 52.117 55.054 -2.937 1
1 1003 . 19 1 1 A 111 111 LYS CB C 111 30.980 34.593 -3.613 1
1 1004 . 19 1 1 A 111 111 LYS C C 111 172.265 175.271 -3.006 1
1 1005 . 19 1 1 A 111 111 LYS HA H 111 4.380 5.158 -0.778 1
1 1010 . 19 1 1 A 112 112 ARG H H 112 8.566 8.646 -0.080 1
1 1011 . 19 1 1 A 112 112 ARG N N 112 124.700 124.283 0.417 1
1 1012 . 19 1 1 A 112 112 ARG CA C 112 54.295 54.423 -0.128 1
1 1013 . 19 1 1 A 112 112 ARG CB C 112 28.927 31.479 -2.552 1
1 1014 . 19 1 1 A 112 112 ARG C C 112 175.240 175.870 -0.630 1
1 1015 . 19 1 1 A 112 112 ARG HA H 112 4.252 4.819 -0.567 1
1 1021 . 19 1 1 A 113 113 GLY H H 113 9.408 8.667 0.741 1
1 1022 . 19 1 1 A 113 113 GLY N N 113 106.636 112.663 -6.027 1
1 1023 . 19 1 1 A 113 113 GLY CA C 113 44.552 46.962 -2.410 1
1 1024 . 19 1 1 A 113 113 GLY C C 113 169.610 174.993 -5.383 1
1 1025 . 19 1 1 A 113 113 GLY HA2 H 113 1.510 3.285 -1.775 1
1 1026 . 19 1 1 A 114 114 PRO CA C 114 62.529 65.260 -2.731 1
1 1027 . 19 1 1 A 114 114 PRO C C 114 174.543 177.514 -2.971 1
1 1028 . 19 1 1 A 114 114 PRO HA H 114 4.321 4.458 -0.137 1
1 1033 . 19 1 1 A 115 115 ARG H H 115 8.067 8.149 -0.082 1
1 1034 . 19 1 1 A 115 115 ARG N N 115 114.500 116.974 -2.474 1
1 1035 . 19 1 1 A 115 115 ARG CA C 115 52.011 56.320 -4.309 1
1 1036 . 19 1 1 A 115 115 ARG CB C 115 27.143 31.225 -4.082 1
1 1037 . 19 1 1 A 115 115 ARG C C 115 174.680 176.088 -1.408 1
1 1038 . 19 1 1 A 115 115 ARG HA H 115 4.508 4.476 0.032 1
1 1043 . 19 1 1 A 116 116 THR H H 116 7.643 7.345 0.298 1
1 1044 . 19 1 1 A 116 116 THR N N 116 111.716 111.801 -0.085 1
1 1045 . 19 1 1 A 116 116 THR CA C 116 58.712 61.881 -3.169 1
1 1046 . 19 1 1 A 116 116 THR CB C 116 70.086 69.493 0.593 1
1 1047 . 19 1 1 A 116 116 THR C C 116 172.573 174.049 -1.476 1
1 1048 . 19 1 1 A 116 116 THR HA H 116 5.198 4.349 0.849 1
1 1053 . 19 1 1 A 117 117 HIS H H 117 7.091 8.279 -1.188 1
1 1054 . 19 1 1 A 117 117 HIS N N 117 112.914 123.271 -10.357 1
1 1055 . 19 1 1 A 117 117 HIS CA C 117 53.291 55.371 -2.080 1
1 1056 . 19 1 1 A 117 117 HIS CB C 117 29.133 31.236 -2.103 1
1 1057 . 19 1 1 A 117 117 HIS C C 117 170.344 171.963 -1.619 1
1 1058 . 19 1 1 A 117 117 HIS HA H 117 4.868 4.319 0.549 1
1 1061 . 19 1 1 A 118 118 TYR H H 118 9.020 8.050 0.970 1
1 1062 . 19 1 1 A 118 118 TYR N N 118 123.051 122.442 0.609 1
1 1063 . 19 1 1 A 118 118 TYR CA C 118 58.801 56.489 2.312 1
1 1064 . 19 1 1 A 118 118 TYR CB C 118 29.959 37.705 -7.746 1
1 1065 . 19 1 1 A 118 118 TYR C C 118 174.446 175.063 -0.617 1
1 1066 . 19 1 1 A 118 118 TYR HA H 118 3.897 4.496 -0.599 1
1 1069 . 19 1 1 A 119 119 GLY H H 119 7.999 8.833 -0.834 1
1 1070 . 19 1 1 A 119 119 GLY N N 119 116.885 113.369 3.516 1
1 1071 . 19 1 1 A 119 119 GLY CA C 119 42.599 45.976 -3.377 1
1 1072 . 19 1 1 A 119 119 GLY C C 119 172.439 173.596 -1.157 1
1 1073 . 19 1 1 A 119 119 GLY HA3 H 119 4.385 3.945 0.440 1
1 1074 . 19 1 1 A 119 119 GLY HA2 H 119 3.296 3.880 -0.584 1
1 1075 . 19 1 1 A 120 120 GLN H H 120 7.003 7.685 -0.682 1
1 1076 . 19 1 1 A 120 120 GLN N N 120 118.266 117.415 0.851 1
1 1077 . 19 1 1 A 120 120 GLN CA C 120 52.617 53.941 -1.324 1
1 1078 . 19 1 1 A 120 120 GLN CB C 120 27.324 32.352 -5.028 1
1 1079 . 19 1 1 A 120 120 GLN C C 120 174.995 175.495 -0.500 1
1 1080 . 19 1 1 A 120 120 GLN HA H 120 4.262 4.603 -0.341 1
1 1083 . 19 1 1 A 121 121 LYS H H 121 8.477 8.537 -0.060 1
1 1084 . 19 1 1 A 121 121 LYS N N 121 121.222 124.883 -3.661 1
1 1085 . 19 1 1 A 121 121 LYS CA C 121 56.243 55.400 0.843 1
1 1086 . 19 1 1 A 121 121 LYS CB C 121 29.598 32.351 -2.753 1
1 1087 . 19 1 1 A 121 121 LYS C C 121 172.702 177.424 -4.722 1
1 1088 . 19 1 1 A 121 121 LYS HA H 121 3.809 4.531 -0.722 1
1 1093 . 19 1 1 A 122 122 ALA H H 122 7.526 7.891 -0.365 1
1 1094 . 19 1 1 A 122 122 ALA N N 122 116.019 123.500 -7.481 1
1 1095 . 19 1 1 A 122 122 ALA CA C 122 52.338 53.132 -0.794 1
1 1096 . 19 1 1 A 122 122 ALA CB C 122 18.675 18.778 -0.103 1
1 1097 . 19 1 1 A 122 122 ALA C C 122 172.756 177.448 -4.692 1
1 1098 . 19 1 1 A 122 122 ALA HA H 122 3.947 4.174 -0.227 1
1 1102 . 19 1 1 A 123 123 ILE H H 123 5.794 7.171 -1.377 1
1 1103 . 19 1 1 A 123 123 ILE N N 123 101.200 114.450 -13.250 1
1 1104 . 19 1 1 A 123 123 ILE CA C 123 57.297 60.788 -3.491 1
1 1105 . 19 1 1 A 123 123 ILE CB C 123 35.425 37.295 -1.870 1
1 1106 . 19 1 1 A 123 123 ILE C C 123 172.790 175.716 -2.926 1
1 1107 . 19 1 1 A 123 123 ILE HA H 123 5.184 4.269 0.915 1
1 1116 . 19 1 1 A 124 124 LEU H H 124 6.716 7.100 -0.384 1
1 1117 . 19 1 1 A 124 124 LEU N N 124 121.554 125.215 -3.661 1
1 1118 . 19 1 1 A 124 124 LEU CA C 124 51.686 53.580 -1.894 1
1 1119 . 19 1 1 A 124 124 LEU CB C 124 39.622 43.446 -3.824 1
1 1120 . 19 1 1 A 124 124 LEU C C 124 173.411 174.520 -1.109 1
1 1121 . 19 1 1 A 124 124 LEU HA H 124 4.597 4.868 -0.271 1
1 1130 . 19 1 1 A 125 125 PHE H H 125 9.226 9.521 -0.295 1
1 1131 . 19 1 1 A 125 125 PHE N N 125 121.900 126.980 -5.080 1
1 1132 . 19 1 1 A 125 125 PHE CA C 125 54.604 56.980 -2.376 1
1 1133 . 19 1 1 A 125 125 PHE CB C 125 41.692 40.871 0.821 1
1 1134 . 19 1 1 A 125 125 PHE C C 125 172.768 175.280 -2.512 1
1 1135 . 19 1 1 A 125 125 PHE HA H 125 5.612 4.983 0.629 1
1 1138 . 19 1 1 A 126 126 LEU H H 126 9.932 8.459 1.473 1
1 1139 . 19 1 1 A 126 126 LEU N N 126 125.427 123.723 1.704 1
1 1140 . 19 1 1 A 126 126 LEU CA C 126 48.875 50.803 -1.928 1
1 1141 . 19 1 1 A 127 127 PRO CA C 127 58.907 62.075 -3.168 1
1 1142 . 19 1 1 A 127 127 PRO CB C 127 28.730 31.757 -3.027 1
1 1143 . 19 1 1 A 127 127 PRO C C 127 174.541 176.003 -1.462 1
1 1144 . 19 1 1 A 127 127 PRO HA H 127 5.587 5.485 0.102 1
1 1147 . 19 1 1 A 128 128 LEU H H 128 9.674 8.554 1.120 1
1 1148 . 19 1 1 A 128 128 LEU N N 128 129.196 124.849 4.347 1
1 1149 . 19 1 1 A 128 128 LEU CA C 128 49.523 51.755 -2.232 1
1 1150 . 19 1 1 A 128 128 LEU C C 128 175.960 175.311 0.649 1
1 1151 . 19 1 1 A 129 129 PRO CA C 129 60.043 62.267 -2.224 1
1 1152 . 19 1 1 A 129 129 PRO CB C 129 29.800 32.436 -2.636 1
1 1153 . 19 1 1 A 129 129 PRO C C 129 174.414 176.020 -1.606 1
1 1154 . 19 1 1 A 129 129 PRO HA H 129 4.710 4.843 -0.133 1
1 1160 . 19 1 1 A 130 130 VAL H H 130 7.992 9.161 -1.169 1
1 1161 . 19 1 1 A 130 130 VAL N N 130 118.275 121.410 -3.135 1
1 1162 . 19 1 1 A 130 130 VAL CA C 130 61.494 61.790 -0.296 1
1 1163 . 19 1 1 A 130 130 VAL CB C 130 29.649 32.817 -3.168 1
1 1164 . 19 1 1 A 130 130 VAL C C 130 174.097 175.793 -1.696 1
1 1165 . 19 1 1 A 130 130 VAL HA H 130 3.794 4.259 -0.465 1
1 1173 . 19 1 1 A 131 131 SER H H 131 7.844 8.609 -0.765 1
1 1174 . 19 1 1 A 131 131 SER N N 131 115.853 120.516 -4.663 1
1 1175 . 19 1 1 A 131 131 SER CA C 131 55.233 57.535 -2.302 1
1 1176 . 19 1 1 A 131 131 SER CB C 131 61.375 63.985 -2.610 1
1 1177 . 19 1 1 A 131 131 SER C C 131 173.574 173.587 -0.013 1
1 1178 . 19 1 1 A 131 131 SER HA H 131 4.218 4.824 -0.606 1
1 1181 . 19 1 1 A 132 132 SER H H 132 8.196 8.927 -0.731 1
1 1182 . 19 1 1 A 132 132 SER N N 132 118.100 122.233 -4.133 1
1 1183 . 19 1 1 A 132 132 SER CA C 132 56.021 57.362 -1.341 1
1 1184 . 19 1 1 A 132 132 SER CB C 132 61.848 61.704 0.144 1
1 1185 . 19 1 1 A 132 132 SER C C 132 170.997 173.185 -2.188 1
1 1186 . 19 1 1 A 132 132 SER HA H 132 4.484 4.643 -0.159 1
1 12 . 20 1 1 A 2 2 LYS H H 2 7.955 7.767 0.188 1
1 13 . 20 1 1 A 2 2 LYS N N 2 120.000 117.789 2.211 1
1 14 . 20 1 1 A 2 2 LYS CA C 2 51.913 54.584 -2.671 1
1 15 . 20 1 1 A 2 2 LYS C C 2 174.300 177.425 -3.125 1
1 16 . 20 1 1 A 2 2 LYS HA H 2 4.270 4.611 -0.341 1
1 18 . 20 1 1 A 3 3 LYS H H 3 7.960 8.790 -0.830 1
1 19 . 20 1 1 A 3 3 LYS N N 3 119.640 121.516 -1.876 1
1 20 . 20 1 1 A 3 3 LYS CA C 3 51.900 61.241 -9.341 1
1 21 . 20 1 1 A 3 3 LYS HA H 3 4.600 4.197 0.403 1
1 24 . 20 1 1 A 4 4 PRO CA C 4 60.687 63.578 -2.891 1
1 25 . 20 1 1 A 4 4 PRO C C 4 172.359 176.985 -4.626 1
1 26 . 20 1 1 A 4 4 PRO CB C 4 30.627 32.151 -1.524 1
1 27 . 20 1 1 A 4 4 PRO HA H 4 4.716 4.451 0.265 1
1 29 . 20 1 1 A 5 5 LYS H H 5 9.357 8.565 0.792 1
1 30 . 20 1 1 A 5 5 LYS N N 5 119.100 123.504 -4.404 1
1 31 . 20 1 1 A 5 5 LYS CA C 5 51.445 56.296 -4.851 1
1 32 . 20 1 1 A 5 5 LYS CB C 5 34.945 33.840 1.105 1
1 33 . 20 1 1 A 5 5 LYS C C 5 171.776 175.456 -3.680 1
1 34 . 20 1 1 A 5 5 LYS HA H 5 5.062 4.630 0.432 1
1 37 . 20 1 1 A 6 6 LEU H H 6 8.944 8.716 0.228 1
1 38 . 20 1 1 A 6 6 LEU N N 6 117.400 124.098 -6.698 1
1 39 . 20 1 1 A 6 6 LEU CA C 6 50.259 52.949 -2.690 1
1 40 . 20 1 1 A 6 6 LEU CB C 6 41.472 44.903 -3.431 1
1 41 . 20 1 1 A 6 6 LEU C C 6 174.676 174.405 0.271 1
1 42 . 20 1 1 A 6 6 LEU HA H 6 4.984 5.026 -0.042 1
1 51 . 20 1 1 A 7 7 LEU H H 7 10.297 9.141 1.156 1
1 52 . 20 1 1 A 7 7 LEU N N 7 125.000 128.361 -3.361 1
1 53 . 20 1 1 A 7 7 LEU CA C 7 53.596 53.758 -0.162 1
1 54 . 20 1 1 A 7 7 LEU C C 7 172.290 175.224 -2.934 1
1 55 . 20 1 1 A 7 7 LEU HA H 7 5.083 4.987 0.096 1
1 65 . 20 1 1 A 8 8 TYR H H 8 8.483 8.743 -0.260 1
1 66 . 20 1 1 A 8 8 TYR N N 8 125.000 128.371 -3.371 1
1 67 . 20 1 1 A 8 8 TYR CA C 8 54.761 55.971 -1.210 1
1 68 . 20 1 1 A 8 8 TYR CB C 8 37.988 40.130 -2.142 1
1 69 . 20 1 1 A 8 8 TYR C C 8 171.270 174.115 -2.845 1
1 70 . 20 1 1 A 8 8 TYR HA H 8 4.592 5.330 -0.738 1
1 73 . 20 1 1 A 9 9 CYS H H 9 9.235 8.750 0.485 1
1 74 . 20 1 1 A 9 9 CYS N N 9 130.104 127.584 2.520 1
1 75 . 20 1 1 A 9 9 CYS CA C 9 55.588 57.773 -2.185 1
1 76 . 20 1 1 A 9 9 CYS CB C 9 26.864 28.400 -1.536 1
1 77 . 20 1 1 A 9 9 CYS C C 9 172.619 172.977 -0.358 1
1 78 . 20 1 1 A 9 9 CYS HA H 9 4.163 4.669 -0.506 1
1 82 . 20 1 1 A 10 10 SER H H 10 8.173 8.382 -0.209 1
1 83 . 20 1 1 A 10 10 SER N N 10 122.600 119.414 3.186 1
1 84 . 20 1 1 A 10 10 SER CA C 10 57.853 56.631 1.222 1
1 85 . 20 1 1 A 10 10 SER CB C 10 61.820 65.576 -3.756 1
1 86 . 20 1 1 A 10 10 SER C C 10 172.210 172.207 0.003 1
1 87 . 20 1 1 A 10 10 SER HA H 10 3.920 4.937 -1.017 1
1 89 . 20 1 1 A 11 11 ASN H H 11 7.450 8.802 -1.352 1
1 90 . 20 1 1 A 11 11 ASN N N 11 119.550 123.938 -4.388 1
1 91 . 20 1 1 A 11 11 ASN CA C 11 52.430 52.460 -0.030 1
1 92 . 20 1 1 A 11 11 ASN HA H 11 4.360 4.782 -0.422 1
1 94 . 20 1 1 A 12 12 GLY C C 12 171.806 173.861 -2.055 1
1 95 . 20 1 1 A 12 12 GLY CA C 12 41.915 46.033 -4.118 1
1 96 . 20 1 1 A 12 12 GLY HA3 H 12 3.927 4.168 -0.241 1
1 97 . 20 1 1 A 12 12 GLY H H 12 7.096 8.477 -1.381 1
1 98 . 20 1 1 A 12 12 GLY N N 12 109.300 112.545 -3.245 1
1 99 . 20 1 1 A 13 13 GLY H H 13 7.096 7.753 -0.657 1
1 100 . 20 1 1 A 13 13 GLY N N 13 109.300 104.169 5.131 1
1 101 . 20 1 1 A 13 13 GLY CA C 13 44.272 45.757 -1.485 1
1 102 . 20 1 1 A 13 13 GLY C C 13 170.445 173.744 -3.299 1
1 103 . 20 1 1 A 13 13 GLY HA2 H 13 3.598 4.048 -0.450 1
1 104 . 20 1 1 A 13 13 GLY HA3 H 13 3.204 4.131 -0.927 1
1 105 . 20 1 1 A 14 14 HIS H H 14 6.302 8.633 -2.331 1
1 106 . 20 1 1 A 14 14 HIS N N 14 113.600 119.183 -5.583 1
1 107 . 20 1 1 A 14 14 HIS CA C 14 54.319 54.554 -0.235 1
1 108 . 20 1 1 A 14 14 HIS CB C 14 31.792 34.669 -2.877 1
1 109 . 20 1 1 A 14 14 HIS C C 14 171.281 174.120 -2.839 1
1 110 . 20 1 1 A 14 14 HIS HA H 14 4.104 5.274 -1.170 1
1 113 . 20 1 1 A 15 15 PHE H H 15 9.298 9.011 0.287 1
1 114 . 20 1 1 A 15 15 PHE N N 15 120.700 122.146 -1.446 1
1 115 . 20 1 1 A 15 15 PHE CA C 15 54.273 57.252 -2.979 1
1 116 . 20 1 1 A 15 15 PHE CB C 15 37.632 42.943 -5.311 1
1 117 . 20 1 1 A 15 15 PHE C C 15 173.938 173.708 0.230 1
1 118 . 20 1 1 A 15 15 PHE HA H 15 5.390 5.160 0.230 1
1 121 . 20 1 1 A 16 16 LEU H H 16 8.480 8.802 -0.322 1
1 122 . 20 1 1 A 16 16 LEU N N 16 124.700 124.291 0.409 1
1 123 . 20 1 1 A 16 16 LEU CA C 16 54.440 54.233 0.207 1
1 124 . 20 1 1 A 16 16 LEU C C 16 171.758 176.015 -4.257 1
1 125 . 20 1 1 A 16 16 LEU CB C 16 41.301 42.932 -1.631 1
1 126 . 20 1 1 A 16 16 LEU HA H 16 4.394 5.361 -0.967 1
1 129 . 20 1 1 A 17 17 ARG H H 17 9.339 9.054 0.285 1
1 130 . 20 1 1 A 17 17 ARG N N 17 126.971 120.268 6.703 1
1 131 . 20 1 1 A 17 17 ARG CA C 17 53.301 54.127 -0.826 1
1 132 . 20 1 1 A 17 17 ARG CB C 17 32.620 33.757 -1.137 1
1 133 . 20 1 1 A 17 17 ARG C C 17 171.302 174.862 -3.560 1
1 134 . 20 1 1 A 17 17 ARG HA H 17 4.715 4.717 -0.002 1
1 141 . 20 1 1 A 18 18 ILE H H 18 6.989 8.417 -1.428 1
1 142 . 20 1 1 A 18 18 ILE N N 18 120.966 118.770 2.196 1
1 143 . 20 1 1 A 18 18 ILE CA C 18 57.903 59.615 -1.712 1
1 144 . 20 1 1 A 18 18 ILE C C 18 173.747 175.318 -1.571 1
1 145 . 20 1 1 A 18 18 ILE HA H 18 4.563 4.723 -0.160 1
1 150 . 20 1 1 A 19 19 LEU H H 19 8.940 8.635 0.305 1
1 151 . 20 1 1 A 19 19 LEU N N 19 128.097 121.852 6.245 1
1 152 . 20 1 1 A 19 19 LEU CA C 19 51.419 51.090 0.329 1
1 153 . 20 1 1 A 20 20 PRO CA C 20 62.710 63.940 -1.230 1
1 154 . 20 1 1 A 20 20 PRO CB C 20 29.518 31.646 -2.128 1
1 155 . 20 1 1 A 20 20 PRO C C 20 173.966 177.053 -3.087 1
1 156 . 20 1 1 A 20 20 PRO HA H 20 4.319 4.500 -0.181 1
1 161 . 20 1 1 A 21 21 ASP H H 21 7.415 7.893 -0.478 1
1 162 . 20 1 1 A 21 21 ASP N N 21 114.000 118.232 -4.232 1
1 163 . 20 1 1 A 21 21 ASP CA C 21 51.361 54.032 -2.671 1
1 164 . 20 1 1 A 21 21 ASP CB C 21 37.419 41.665 -4.246 1
1 165 . 20 1 1 A 21 21 ASP C C 21 174.570 176.505 -1.935 1
1 166 . 20 1 1 A 21 21 ASP HA H 21 4.513 4.794 -0.281 1
1 169 . 20 1 1 A 22 22 GLY H H 22 8.404 8.326 0.078 1
1 170 . 20 1 1 A 22 22 GLY N N 22 109.100 108.083 1.017 1
1 171 . 20 1 1 A 22 22 GLY CA C 22 43.166 46.288 -3.122 1
1 172 . 20 1 1 A 22 22 GLY C C 22 172.565 174.391 -1.826 1
1 173 . 20 1 1 A 22 22 GLY HA3 H 22 4.632 4.092 0.540 1
1 174 . 20 1 1 A 22 22 GLY HA2 H 22 3.838 4.036 -0.198 1
1 175 . 20 1 1 A 23 23 THR H H 23 7.894 7.708 0.186 1
1 176 . 20 1 1 A 23 23 THR N N 23 116.800 114.975 1.825 1
1 177 . 20 1 1 A 23 23 THR CA C 23 61.304 61.318 -0.014 1
1 178 . 20 1 1 A 23 23 THR CB C 23 67.455 71.312 -3.857 1
1 179 . 20 1 1 A 23 23 THR C C 23 170.170 172.664 -2.494 1
1 180 . 20 1 1 A 23 23 THR HA H 23 4.489 4.777 -0.288 1
1 185 . 20 1 1 A 24 24 VAL H H 24 7.792 9.029 -1.237 1
1 186 . 20 1 1 A 24 24 VAL N N 24 123.100 126.591 -3.491 1
1 187 . 20 1 1 A 24 24 VAL CA C 24 58.203 60.734 -2.531 1
1 188 . 20 1 1 A 24 24 VAL CB C 24 31.847 33.374 -1.527 1
1 189 . 20 1 1 A 24 24 VAL C C 24 171.629 174.568 -2.939 1
1 190 . 20 1 1 A 24 24 VAL HA H 24 5.084 4.715 0.369 1
1 195 . 20 1 1 A 25 25 ASP H H 25 8.906 8.584 0.322 1
1 196 . 20 1 1 A 25 25 ASP N N 25 131.200 126.550 4.650 1
1 197 . 20 1 1 A 25 25 ASP CA C 25 50.847 52.200 -1.353 1
1 198 . 20 1 1 A 25 25 ASP CB C 25 38.730 44.658 -5.928 1
1 199 . 20 1 1 A 25 25 ASP C C 25 170.281 174.499 -4.218 1
1 200 . 20 1 1 A 25 25 ASP HA H 25 4.313 5.431 -1.118 1
1 203 . 20 1 1 A 26 26 GLY H H 26 7.891 9.080 -1.189 1
1 204 . 20 1 1 A 26 26 GLY N N 26 102.500 108.539 -6.039 1
1 205 . 20 1 1 A 26 26 GLY CA C 26 42.057 44.692 -2.635 1
1 206 . 20 1 1 A 26 26 GLY C C 26 169.975 172.938 -2.963 1
1 207 . 20 1 1 A 26 26 GLY HA3 H 26 5.529 4.344 1.185 1
1 208 . 20 1 1 A 26 26 GLY HA2 H 26 3.015 4.252 -1.237 1
1 209 . 20 1 1 A 27 27 THR H H 27 8.529 9.499 -0.970 1
1 210 . 20 1 1 A 27 27 THR N N 27 112.700 118.466 -5.766 1
1 211 . 20 1 1 A 27 27 THR CA C 27 56.740 61.107 -4.367 1
1 212 . 20 1 1 A 27 27 THR CB C 27 67.326 72.516 -5.190 1
1 213 . 20 1 1 A 27 27 THR C C 27 170.554 172.692 -2.138 1
1 214 . 20 1 1 A 27 27 THR HA H 27 5.189 4.983 0.206 1
1 219 . 20 1 1 A 28 28 ARG H H 28 8.993 8.619 0.374 1
1 220 . 20 1 1 A 28 28 ARG N N 28 127.500 126.552 0.948 1
1 221 . 20 1 1 A 28 28 ARG CA C 28 54.938 54.869 0.069 1
1 222 . 20 1 1 A 28 28 ARG CB C 28 37.260 31.935 5.325 1
1 223 . 20 1 1 A 28 28 ARG C C 28 173.450 174.767 -1.317 1
1 224 . 20 1 1 A 28 28 ARG HA H 28 4.691 4.961 -0.270 1
1 227 . 20 1 1 A 29 29 ASP H H 29 8.323 8.860 -0.537 1
1 228 . 20 1 1 A 29 29 ASP N N 29 121.000 127.039 -6.039 1
1 229 . 20 1 1 A 29 29 ASP CA C 29 50.779 53.162 -2.383 1
1 230 . 20 1 1 A 29 29 ASP C C 29 172.275 175.915 -3.640 1
1 231 . 20 1 1 A 29 29 ASP HA H 29 4.661 5.227 -0.566 1
1 234 . 20 1 1 A 30 30 ARG H H 30 8.342 8.770 -0.428 1
1 235 . 20 1 1 A 30 30 ARG N N 30 126.100 126.466 -0.366 1
1 236 . 20 1 1 A 30 30 ARG CA C 30 54.924 57.860 -2.936 1
1 237 . 20 1 1 A 30 30 ARG CB C 30 28.367 30.200 -1.833 1
1 238 . 20 1 1 A 30 30 ARG C C 30 173.454 177.767 -4.313 1
1 239 . 20 1 1 A 30 30 ARG HA H 30 3.592 4.388 -0.796 1
1 243 . 20 1 1 A 31 31 SER H H 31 8.379 7.728 0.651 1
1 244 . 20 1 1 A 31 31 SER N N 31 113.600 112.132 1.468 1
1 245 . 20 1 1 A 31 31 SER CA C 31 55.918 59.527 -3.609 1
1 246 . 20 1 1 A 31 31 SER CB C 31 61.807 63.477 -1.670 1
1 247 . 20 1 1 A 31 31 SER C C 31 171.758 173.958 -2.200 1
1 248 . 20 1 1 A 31 31 SER HA H 31 4.397 4.340 0.057 1
1 251 . 20 1 1 A 32 32 ASP H H 32 7.105 7.350 -0.245 1
1 252 . 20 1 1 A 32 32 ASP N N 32 125.000 122.784 2.216 1
1 253 . 20 1 1 A 32 32 ASP CA C 32 53.116 52.284 0.832 1
1 254 . 20 1 1 A 32 32 ASP CB C 32 41.585 43.136 -1.551 1
1 255 . 20 1 1 A 32 32 ASP C C 32 174.497 176.040 -1.543 1
1 256 . 20 1 1 A 32 32 ASP HA H 32 4.276 4.774 -0.498 1
1 259 . 20 1 1 A 33 33 GLN H H 33 8.775 8.110 0.665 1
1 260 . 20 1 1 A 33 33 GLN N N 33 124.700 121.109 3.591 1
1 261 . 20 1 1 A 33 33 GLN CA C 33 55.127 54.621 0.506 1
1 262 . 20 1 1 A 33 33 GLN CB C 33 26.601 28.068 -1.467 1
1 263 . 20 1 1 A 33 33 GLN C C 33 174.900 175.684 -0.784 1
1 264 . 20 1 1 A 33 33 GLN HA H 33 4.061 4.513 -0.452 1
1 271 . 20 1 1 A 34 34 HIS H H 34 9.681 7.831 1.850 1
1 272 . 20 1 1 A 34 34 HIS N N 34 116.700 117.813 -1.113 1
1 273 . 20 1 1 A 34 34 HIS CA C 34 55.739 55.709 0.030 1
1 274 . 20 1 1 A 34 34 HIS CB C 34 26.065 31.354 -5.289 1
1 275 . 20 1 1 A 34 34 HIS C C 34 172.307 175.341 -3.034 1
1 276 . 20 1 1 A 34 34 HIS HA H 34 4.885 4.769 0.116 1
1 279 . 20 1 1 A 35 35 ILE H H 35 6.711 7.814 -1.103 1
1 280 . 20 1 1 A 35 35 ILE N N 35 108.600 113.646 -5.046 1
1 281 . 20 1 1 A 35 35 ILE CA C 35 58.395 62.051 -3.656 1
1 282 . 20 1 1 A 35 35 ILE CB C 35 35.989 37.251 -1.262 1
1 283 . 20 1 1 A 35 35 ILE C C 35 172.249 175.743 -3.494 1
1 284 . 20 1 1 A 35 35 ILE HA H 35 5.114 3.876 1.238 1
1 293 . 20 1 1 A 36 36 GLN H H 36 7.148 8.027 -0.879 1
1 294 . 20 1 1 A 36 36 GLN N N 36 120.018 120.383 -0.365 1
1 295 . 20 1 1 A 36 36 GLN CA C 36 55.111 54.688 0.423 1
1 296 . 20 1 1 A 36 36 GLN CB C 36 25.190 30.187 -4.997 1
1 297 . 20 1 1 A 36 36 GLN C C 36 172.952 174.815 -1.863 1
1 298 . 20 1 1 A 36 36 GLN HA H 36 4.261 5.137 -0.876 1
1 305 . 20 1 1 A 37 37 LEU H H 37 9.110 9.072 0.038 1
1 306 . 20 1 1 A 37 37 LEU N N 37 127.600 123.176 4.424 1
1 307 . 20 1 1 A 37 37 LEU CA C 37 51.329 52.593 -1.264 1
1 308 . 20 1 1 A 37 37 LEU CB C 37 42.165 45.367 -3.202 1
1 309 . 20 1 1 A 37 37 LEU C C 37 172.877 175.741 -2.864 1
1 310 . 20 1 1 A 37 37 LEU HA H 37 5.315 5.358 -0.043 1
1 319 . 20 1 1 A 38 38 GLN H H 38 9.556 9.527 0.029 1
1 320 . 20 1 1 A 38 38 GLN N N 38 120.583 119.002 1.581 1
1 321 . 20 1 1 A 38 38 GLN CA C 38 51.810 54.705 -2.895 1
1 322 . 20 1 1 A 38 38 GLN CB C 38 29.259 30.172 -0.913 1
1 323 . 20 1 1 A 38 38 GLN C C 38 172.676 174.097 -1.421 1
1 324 . 20 1 1 A 38 38 GLN HA H 38 4.623 5.117 -0.494 1
1 328 . 20 1 1 A 39 39 LEU H H 39 8.926 9.097 -0.171 1
1 329 . 20 1 1 A 39 39 LEU N N 39 131.700 127.998 3.702 1
1 330 . 20 1 1 A 39 39 LEU CA C 39 53.062 53.881 -0.819 1
1 331 . 20 1 1 A 39 39 LEU C C 39 174.601 174.905 -0.304 1
1 332 . 20 1 1 A 39 39 LEU HA H 39 5.506 5.210 0.296 1
1 341 . 20 1 1 A 40 40 SER H H 40 8.569 8.673 -0.104 1
1 342 . 20 1 1 A 40 40 SER N N 40 115.900 120.690 -4.790 1
1 343 . 20 1 1 A 40 40 SER CA C 40 54.925 55.686 -0.761 1
1 344 . 20 1 1 A 40 40 SER CB C 40 46.694 66.208 -19.514 1
1 345 . 20 1 1 A 40 40 SER C C 40 170.046 172.832 -2.786 1
1 346 . 20 1 1 A 40 40 SER HA H 40 4.676 5.281 -0.605 1
1 349 . 20 1 1 A 41 41 ALA H H 41 8.357 8.666 -0.309 1
1 350 . 20 1 1 A 41 41 ALA N N 41 125.900 124.983 0.917 1
1 351 . 20 1 1 A 41 41 ALA CA C 41 49.309 50.629 -1.320 1
1 352 . 20 1 1 A 41 41 ALA CB C 41 27.376 20.958 6.418 1
1 353 . 20 1 1 A 41 41 ALA C C 41 175.352 176.765 -1.413 1
1 354 . 20 1 1 A 41 41 ALA HA H 41 5.016 5.114 -0.098 1
1 358 . 20 1 1 A 42 42 GLU H H 42 8.485 9.114 -0.629 1
1 359 . 20 1 1 A 42 42 GLU N N 42 125.400 124.348 1.052 1
1 360 . 20 1 1 A 42 42 GLU CA C 42 54.611 58.062 -3.451 1
1 361 . 20 1 1 A 42 42 GLU CB C 42 28.181 32.050 -3.869 1
1 362 . 20 1 1 A 42 42 GLU C C 42 174.014 175.762 -1.748 1
1 363 . 20 1 1 A 42 42 GLU HA H 42 4.444 4.532 -0.088 1
1 368 . 20 1 1 A 43 43 SER H H 43 8.020 8.298 -0.278 1
1 369 . 20 1 1 A 43 43 SER N N 43 113.900 114.197 -0.297 1
1 370 . 20 1 1 A 43 43 SER CA C 43 55.014 57.363 -2.349 1
1 371 . 20 1 1 A 43 43 SER CB C 43 61.687 65.375 -3.688 1
1 372 . 20 1 1 A 43 43 SER C C 43 171.119 173.816 -2.697 1
1 373 . 20 1 1 A 43 43 SER HA H 43 4.516 4.779 -0.263 1
1 376 . 20 1 1 A 44 44 VAL H H 44 8.113 8.295 -0.182 1
1 377 . 20 1 1 A 44 44 VAL N N 44 121.100 120.275 0.825 1
1 378 . 20 1 1 A 44 44 VAL CA C 44 62.838 63.617 -0.779 1
1 379 . 20 1 1 A 44 44 VAL CB C 44 28.991 31.304 -2.313 1
1 380 . 20 1 1 A 44 44 VAL C C 44 175.533 176.408 -0.875 1
1 381 . 20 1 1 A 44 44 VAL HA H 44 3.868 3.922 -0.054 1
1 389 . 20 1 1 A 45 45 GLY H H 45 8.807 8.765 0.042 1
1 390 . 20 1 1 A 45 45 GLY N N 45 115.545 114.669 0.876 1
1 391 . 20 1 1 A 45 45 GLY CA C 45 43.553 45.658 -2.105 1
1 392 . 20 1 1 A 45 45 GLY C C 45 170.948 173.551 -2.603 1
1 393 . 20 1 1 A 45 45 GLY HA3 H 45 4.296 3.893 0.403 1
1 394 . 20 1 1 A 45 45 GLY HA2 H 45 3.995 3.885 0.110 1
1 395 . 20 1 1 A 46 46 GLU H H 46 7.985 7.856 0.129 1
1 396 . 20 1 1 A 46 46 GLU N N 46 121.200 120.653 0.547 1
1 397 . 20 1 1 A 46 46 GLU CA C 46 52.751 54.867 -2.116 1
1 398 . 20 1 1 A 46 46 GLU CB C 46 29.432 31.733 -2.301 1
1 399 . 20 1 1 A 46 46 GLU C C 46 173.583 175.418 -1.835 1
1 400 . 20 1 1 A 46 46 GLU HA H 46 5.442 4.737 0.705 1
1 405 . 20 1 1 A 47 47 VAL H H 47 9.560 8.945 0.615 1
1 406 . 20 1 1 A 47 47 VAL N N 47 116.400 118.314 -1.914 1
1 407 . 20 1 1 A 47 47 VAL CA C 47 56.846 59.743 -2.897 1
1 408 . 20 1 1 A 47 47 VAL CB C 47 33.714 34.556 -0.842 1
1 409 . 20 1 1 A 47 47 VAL C C 47 172.960 173.503 -0.543 1
1 410 . 20 1 1 A 47 47 VAL HA H 47 5.505 5.065 0.440 1
1 418 . 20 1 1 A 48 48 TYR H H 48 8.415 9.086 -0.671 1
1 419 . 20 1 1 A 48 48 TYR N N 48 117.400 124.686 -7.286 1
1 420 . 20 1 1 A 48 48 TYR CA C 48 54.331 56.015 -1.684 1
1 421 . 20 1 1 A 48 48 TYR CB C 48 39.296 41.672 -2.376 1
1 422 . 20 1 1 A 48 48 TYR C C 48 173.423 174.063 -0.640 1
1 423 . 20 1 1 A 48 48 TYR HA H 48 5.290 5.278 0.012 1
1 426 . 20 1 1 A 49 49 ILE H H 49 10.532 8.605 1.927 1
1 427 . 20 1 1 A 49 49 ILE N N 49 123.100 127.253 -4.153 1
1 428 . 20 1 1 A 49 49 ILE CA C 49 59.573 60.469 -0.896 1
1 429 . 20 1 1 A 49 49 ILE CB C 49 40.504 37.751 2.753 1
1 430 . 20 1 1 A 49 49 ILE C C 49 170.853 175.538 -4.685 1
1 431 . 20 1 1 A 49 49 ILE HA H 49 4.341 4.745 -0.404 1
1 438 . 20 1 1 A 50 50 LYS H H 50 8.511 9.011 -0.500 1
1 439 . 20 1 1 A 50 50 LYS N N 50 125.800 127.476 -1.676 1
1 440 . 20 1 1 A 50 50 LYS CA C 50 51.179 54.361 -3.182 1
1 441 . 20 1 1 A 50 50 LYS CB C 50 34.816 35.372 -0.556 1
1 442 . 20 1 1 A 50 50 LYS C C 50 173.759 175.583 -1.824 1
1 443 . 20 1 1 A 50 50 LYS HA H 50 4.991 4.994 -0.003 1
1 451 . 20 1 1 A 51 51 SER H H 51 8.920 9.049 -0.129 1
1 452 . 20 1 1 A 51 51 SER N N 51 117.579 119.977 -2.398 1
1 453 . 20 1 1 A 51 51 SER CA C 51 55.043 59.317 -4.274 1
1 454 . 20 1 1 A 51 51 SER CB C 51 61.065 63.828 -2.763 1
1 455 . 20 1 1 A 51 51 SER C C 51 175.084 174.242 0.842 1
1 456 . 20 1 1 A 51 51 SER HA H 51 4.666 4.614 0.052 1
1 459 . 20 1 1 A 52 52 THR H H 52 8.342 8.316 0.026 1
1 460 . 20 1 1 A 52 52 THR N N 52 123.200 119.444 3.756 1
1 461 . 20 1 1 A 52 52 THR CA C 52 62.792 64.808 -2.016 1
1 462 . 20 1 1 A 52 52 THR CB C 52 65.611 69.004 -3.393 1
1 463 . 20 1 1 A 52 52 THR C C 52 173.566 176.563 -2.997 1
1 464 . 20 1 1 A 52 52 THR HA H 52 3.996 3.968 0.028 1
1 469 . 20 1 1 A 53 53 GLU H H 53 8.312 7.979 0.333 1
1 470 . 20 1 1 A 53 53 GLU N N 53 122.000 120.750 1.250 1
1 471 . 20 1 1 A 53 53 GLU CA C 53 55.889 58.326 -2.437 1
1 472 . 20 1 1 A 53 53 GLU CB C 53 28.359 30.584 -2.225 1
1 473 . 20 1 1 A 53 53 GLU C C 53 175.327 177.707 -2.380 1
1 474 . 20 1 1 A 53 53 GLU HA H 53 4.311 4.204 0.107 1
1 477 . 20 1 1 A 54 54 THR H H 54 7.724 7.707 0.017 1
1 478 . 20 1 1 A 54 54 THR N N 54 103.100 109.336 -6.236 1
1 479 . 20 1 1 A 54 54 THR CA C 54 58.555 60.896 -2.341 1
1 480 . 20 1 1 A 54 54 THR CB C 54 69.030 68.912 0.118 1
1 481 . 20 1 1 A 54 54 THR C C 54 173.942 175.674 -1.732 1
1 482 . 20 1 1 A 54 54 THR HA H 54 4.681 4.717 -0.036 1
1 487 . 20 1 1 A 55 55 GLY H H 55 7.643 8.257 -0.614 1
1 488 . 20 1 1 A 55 55 GLY N N 55 110.700 111.197 -0.497 1
1 489 . 20 1 1 A 55 55 GLY CA C 55 43.594 45.928 -2.334 1
1 490 . 20 1 1 A 55 55 GLY HA3 H 55 4.150 4.020 0.130 1
1 491 . 20 1 1 A 55 55 GLY HA2 H 55 3.591 4.018 -0.427 1
1 492 . 20 1 1 A 55 55 GLY C C 55 170.694 174.372 -3.678 1
1 493 . 20 1 1 A 56 56 GLN H H 56 7.211 7.590 -0.379 1
1 494 . 20 1 1 A 56 56 GLN N N 56 115.700 117.211 -1.511 1
1 495 . 20 1 1 A 56 56 GLN CA C 56 53.898 55.797 -1.899 1
1 496 . 20 1 1 A 56 56 GLN CB C 56 30.456 32.416 -1.960 1
1 497 . 20 1 1 A 56 56 GLN C C 56 172.141 173.026 -0.885 1
1 498 . 20 1 1 A 56 56 GLN HA H 56 4.311 4.663 -0.352 1
1 504 . 20 1 1 A 57 57 TYR H H 57 9.254 8.903 0.351 1
1 505 . 20 1 1 A 57 57 TYR N N 57 119.400 128.187 -8.787 1
1 506 . 20 1 1 A 57 57 TYR CA C 57 53.356 56.194 -2.838 1
1 507 . 20 1 1 A 57 57 TYR CB C 57 40.466 38.349 2.117 1
1 508 . 20 1 1 A 57 57 TYR C C 57 173.320 174.276 -0.956 1
1 509 . 20 1 1 A 57 57 TYR HA H 57 4.128 5.638 -1.510 1
1 512 . 20 1 1 A 58 58 LEU H H 58 9.126 8.189 0.937 1
1 513 . 20 1 1 A 58 58 LEU N N 58 123.600 127.079 -3.479 1
1 514 . 20 1 1 A 58 58 LEU CA C 58 53.256 55.934 -2.678 1
1 515 . 20 1 1 A 58 58 LEU CB C 58 40.466 42.183 -1.717 1
1 516 . 20 1 1 A 58 58 LEU C C 58 172.320 175.372 -3.052 1
1 517 . 20 1 1 A 58 58 LEU HA H 58 4.128 4.126 0.002 1
1 524 . 20 1 1 A 59 59 ALA H H 59 8.656 8.061 0.595 1
1 525 . 20 1 1 A 59 59 ALA N N 59 126.947 126.568 0.379 1
1 526 . 20 1 1 A 59 59 ALA CA C 59 48.450 50.652 -2.202 1
1 527 . 20 1 1 A 59 59 ALA CB C 59 21.261 21.122 0.139 1
1 528 . 20 1 1 A 59 59 ALA C C 59 172.722 175.485 -2.763 1
1 529 . 20 1 1 A 59 59 ALA HA H 59 5.124 5.007 0.117 1
1 533 . 20 1 1 A 60 60 MET H H 60 7.521 8.662 -1.141 1
1 534 . 20 1 1 A 60 60 MET N N 60 116.602 123.036 -6.434 1
1 535 . 20 1 1 A 60 60 MET CA C 60 52.251 53.981 -1.730 1
1 536 . 20 1 1 A 60 60 MET CB C 60 35.046 32.756 2.290 1
1 537 . 20 1 1 A 60 60 MET C C 60 173.753 175.137 -1.384 1
1 538 . 20 1 1 A 60 60 MET HA H 60 5.527 5.031 0.496 1
1 543 . 20 1 1 A 61 61 ASP H H 61 9.159 8.464 0.695 1
1 544 . 20 1 1 A 61 61 ASP N N 61 128.445 125.256 3.189 1
1 545 . 20 1 1 A 61 61 ASP CA C 61 51.480 53.246 -1.766 1
1 546 . 20 1 1 A 61 61 ASP CB C 61 39.346 41.928 -2.582 1
1 547 . 20 1 1 A 61 61 ASP C C 61 175.800 176.426 -0.626 1
1 548 . 20 1 1 A 61 61 ASP HA H 61 5.046 5.288 -0.242 1
1 551 . 20 1 1 A 62 62 THR H H 62 7.972 8.743 -0.771 1
1 552 . 20 1 1 A 62 62 THR N N 62 107.806 116.758 -8.952 1
1 553 . 20 1 1 A 62 62 THR CA C 62 62.626 63.784 -1.158 1
1 554 . 20 1 1 A 62 62 THR CB C 62 66.955 67.023 -0.068 1
1 555 . 20 1 1 A 62 62 THR C C 62 172.355 174.473 -2.118 1
1 556 . 20 1 1 A 62 62 THR HA H 62 4.134 4.247 -0.113 1
1 561 . 20 1 1 A 63 63 ASP H H 63 8.333 8.601 -0.268 1
1 562 . 20 1 1 A 63 63 ASP N N 63 119.831 121.419 -1.588 1
1 563 . 20 1 1 A 63 63 ASP CA C 63 51.865 55.687 -3.822 1
1 564 . 20 1 1 A 63 63 ASP CB C 63 39.182 40.594 -1.412 1
1 565 . 20 1 1 A 63 63 ASP C C 63 174.438 177.577 -3.139 1
1 566 . 20 1 1 A 63 63 ASP HA H 63 4.964 4.760 0.204 1
1 569 . 20 1 1 A 64 64 GLY H H 64 8.264 8.197 0.067 1
1 570 . 20 1 1 A 64 64 GLY N N 64 109.142 107.062 2.080 1
1 571 . 20 1 1 A 64 64 GLY CA C 64 42.923 46.377 -3.454 1
1 572 . 20 1 1 A 64 64 GLY C C 64 171.248 174.148 -2.900 1
1 573 . 20 1 1 A 64 64 GLY HA3 H 64 3.652 4.115 -0.463 1
1 574 . 20 1 1 A 64 64 GLY HA2 H 64 3.397 4.088 -0.691 1
1 575 . 20 1 1 A 65 65 LEU H H 65 8.636 7.933 0.703 1
1 576 . 20 1 1 A 65 65 LEU N N 65 123.137 121.025 2.112 1
1 577 . 20 1 1 A 65 65 LEU CA C 65 52.224 54.179 -1.955 1
1 578 . 20 1 1 A 65 65 LEU CB C 65 40.557 45.820 -5.263 1
1 579 . 20 1 1 A 65 65 LEU C C 65 174.507 174.707 -0.200 1
1 580 . 20 1 1 A 65 65 LEU HA H 65 4.529 5.075 -0.546 1
1 590 . 20 1 1 A 66 66 LEU H H 66 7.431 8.792 -1.361 1
1 591 . 20 1 1 A 66 66 LEU N N 66 124.493 125.238 -0.745 1
1 592 . 20 1 1 A 66 66 LEU CA C 66 51.635 53.659 -2.024 1
1 593 . 20 1 1 A 66 66 LEU CB C 66 40.474 44.424 -3.950 1
1 594 . 20 1 1 A 66 66 LEU C C 66 174.070 175.696 -1.626 1
1 595 . 20 1 1 A 66 66 LEU HA H 66 5.714 5.487 0.227 1
1 605 . 20 1 1 A 67 67 TYR H H 67 9.237 8.935 0.302 1
1 606 . 20 1 1 A 67 67 TYR N N 67 120.360 118.508 1.852 1
1 607 . 20 1 1 A 67 67 TYR CA C 67 54.076 54.937 -0.861 1
1 608 . 20 1 1 A 67 67 TYR CB C 67 38.903 42.209 -3.306 1
1 609 . 20 1 1 A 67 67 TYR C C 67 169.640 173.977 -4.337 1
1 610 . 20 1 1 A 67 67 TYR HA H 67 5.023 5.869 -0.846 1
1 612 . 20 1 1 A 68 68 GLY H H 68 8.928 8.336 0.592 1
1 613 . 20 1 1 A 68 68 GLY N N 68 105.646 106.287 -0.641 1
1 614 . 20 1 1 A 68 68 GLY CA C 68 41.569 45.615 -4.046 1
1 615 . 20 1 1 A 68 68 GLY C C 68 170.551 172.876 -2.325 1
1 616 . 20 1 1 A 68 68 GLY HA2 H 68 4.676 3.643 1.033 1
1 617 . 20 1 1 A 69 69 SER H H 69 9.608 8.829 0.779 1
1 618 . 20 1 1 A 69 69 SER N N 69 120.100 115.938 4.162 1
1 619 . 20 1 1 A 69 69 SER CA C 69 53.737 59.417 -5.680 1
1 620 . 20 1 1 A 69 69 SER CB C 69 63.042 65.300 -2.258 1
1 621 . 20 1 1 A 69 69 SER C C 69 174.219 175.688 -1.469 1
1 622 . 20 1 1 A 69 69 SER HA H 69 4.966 4.708 0.258 1
1 625 . 20 1 1 A 70 70 GLN H H 70 9.343 8.487 0.856 1
1 626 . 20 1 1 A 70 70 GLN N N 70 127.339 118.770 8.569 1
1 627 . 20 1 1 A 70 70 GLN CA C 70 56.139 57.852 -1.713 1
1 628 . 20 1 1 A 70 70 GLN CB C 70 27.092 30.132 -3.040 1
1 629 . 20 1 1 A 70 70 GLN C C 70 173.241 175.974 -2.733 1
1 630 . 20 1 1 A 70 70 GLN HA H 70 4.286 4.360 -0.074 1
1 638 . 20 1 1 A 71 71 THR H H 71 7.532 7.926 -0.394 1
1 639 . 20 1 1 A 71 71 THR N N 71 108.100 110.345 -2.245 1
1 640 . 20 1 1 A 71 71 THR CA C 71 55.203 58.615 -3.412 1
1 641 . 20 1 1 A 71 71 THR HA H 71 4.780 4.982 -0.202 1
1 643 . 20 1 1 A 72 72 PRO CA C 72 60.050 62.190 -2.140 1
1 644 . 20 1 1 A 72 72 PRO CB C 72 26.678 30.963 -4.285 1
1 645 . 20 1 1 A 72 72 PRO C C 72 172.920 176.320 -3.400 1
1 646 . 20 1 1 A 72 72 PRO HA H 72 4.173 5.069 -0.896 1
1 649 . 20 1 1 A 73 73 ASN H H 73 7.321 9.021 -1.700 1
1 650 . 20 1 1 A 73 73 ASN N N 73 119.200 121.694 -2.494 1
1 651 . 20 1 1 A 73 73 ASN CA C 73 49.994 52.275 -2.281 1
1 652 . 20 1 1 A 74 74 GLU H H 74 9.030 8.575 0.455 1
1 653 . 20 1 1 A 74 74 GLU CA C 74 57.131 55.449 1.682 1
1 654 . 20 1 1 A 74 74 GLU CB C 74 27.005 30.382 -3.377 1
1 655 . 20 1 1 A 74 74 GLU C C 74 176.352 176.226 0.126 1
1 656 . 20 1 1 A 74 74 GLU HA H 74 4.130 4.653 -0.523 1
1 661 . 20 1 1 A 75 75 GLU H H 75 8.574 8.557 0.017 1
1 662 . 20 1 1 A 75 75 GLU N N 75 119.200 122.870 -3.670 1
1 663 . 20 1 1 A 75 75 GLU CA C 75 56.343 57.069 -0.726 1
1 664 . 20 1 1 A 75 75 GLU CB C 75 26.028 32.409 -6.381 1
1 665 . 20 1 1 A 75 75 GLU C C 75 173.866 177.329 -3.463 1
1 666 . 20 1 1 A 75 75 GLU HA H 75 4.206 4.516 -0.310 1
1 671 . 20 1 1 A 76 76 CYS H H 76 7.727 7.731 -0.004 1
1 672 . 20 1 1 A 76 76 CYS N N 76 113.800 116.238 -2.438 1
1 673 . 20 1 1 A 76 76 CYS CA C 76 55.635 59.091 -3.456 1
1 674 . 20 1 1 A 76 76 CYS CB C 76 26.036 27.308 -1.272 1
1 675 . 20 1 1 A 76 76 CYS C C 76 170.849 173.987 -3.138 1
1 676 . 20 1 1 A 76 76 CYS HA H 76 5.426 4.122 1.304 1
1 679 . 20 1 1 A 77 77 LEU H H 77 6.241 6.993 -0.752 1
1 680 . 20 1 1 A 77 77 LEU N N 77 118.069 118.341 -0.272 1
1 681 . 20 1 1 A 77 77 LEU CA C 77 51.793 53.718 -1.925 1
1 682 . 20 1 1 A 77 77 LEU CB C 77 42.123 42.147 -0.024 1
1 683 . 20 1 1 A 77 77 LEU C C 77 173.882 175.890 -2.008 1
1 684 . 20 1 1 A 77 77 LEU HA H 77 4.555 3.861 0.694 1
1 694 . 20 1 1 A 78 78 PHE H H 78 9.067 8.246 0.821 1
1 695 . 20 1 1 A 78 78 PHE N N 78 122.377 120.048 2.329 1
1 696 . 20 1 1 A 78 78 PHE CA C 78 54.917 56.269 -1.352 1
1 697 . 20 1 1 A 78 78 PHE CB C 78 40.597 43.816 -3.219 1
1 698 . 20 1 1 A 78 78 PHE C C 78 171.853 174.507 -2.654 1
1 699 . 20 1 1 A 78 78 PHE HA H 78 5.169 4.990 0.179 1
1 702 . 20 1 1 A 79 79 LEU H H 79 9.958 9.013 0.945 1
1 703 . 20 1 1 A 79 79 LEU N N 79 122.126 123.091 -0.965 1
1 704 . 20 1 1 A 79 79 LEU CA C 79 51.232 54.804 -3.572 1
1 705 . 20 1 1 A 79 79 LEU CB C 79 38.511 43.841 -5.330 1
1 706 . 20 1 1 A 79 79 LEU C C 79 173.055 176.066 -3.011 1
1 707 . 20 1 1 A 79 79 LEU HA H 79 4.686 5.018 -0.332 1
1 713 . 20 1 1 A 80 80 GLU H H 80 8.347 8.786 -0.439 1
1 714 . 20 1 1 A 80 80 GLU N N 80 126.300 127.838 -1.538 1
1 715 . 20 1 1 A 80 80 GLU CA C 80 52.558 55.417 -2.859 1
1 716 . 20 1 1 A 80 80 GLU CB C 80 30.892 31.528 -0.636 1
1 717 . 20 1 1 A 80 80 GLU C C 80 173.355 175.270 -1.915 1
1 718 . 20 1 1 A 80 80 GLU HA H 80 4.832 5.097 -0.265 1
1 721 . 20 1 1 A 81 81 ARG H H 81 8.840 8.700 0.140 1
1 722 . 20 1 1 A 81 81 ARG N N 81 129.522 128.383 1.139 1
1 723 . 20 1 1 A 81 81 ARG CA C 81 52.288 54.317 -2.029 1
1 724 . 20 1 1 A 81 81 ARG CB C 81 38.588 33.748 4.840 1
1 725 . 20 1 1 A 81 81 ARG C C 81 172.258 175.389 -3.131 1
1 726 . 20 1 1 A 81 81 ARG HA H 81 4.659 5.049 -0.390 1
1 732 . 20 1 1 A 82 82 LEU H H 82 8.347 8.710 -0.363 1
1 733 . 20 1 1 A 82 82 LEU N N 82 125.700 123.150 2.550 1
1 734 . 20 1 1 A 82 82 LEU CA C 82 52.631 53.449 -0.818 1
1 735 . 20 1 1 A 82 82 LEU CB C 82 40.304 43.235 -2.931 1
1 736 . 20 1 1 A 82 82 LEU C C 82 174.567 175.385 -0.818 1
1 737 . 20 1 1 A 82 82 LEU HA H 82 4.875 4.768 0.107 1
1 744 . 20 1 1 A 83 83 GLU H H 83 9.064 8.634 0.430 1
1 745 . 20 1 1 A 83 83 GLU N N 83 125.600 123.650 1.950 1
1 746 . 20 1 1 A 83 83 GLU CA C 83 51.723 56.258 -4.535 1
1 747 . 20 1 1 A 83 83 GLU CB C 83 43.703 31.113 12.590 1
1 748 . 20 1 1 A 83 83 GLU C C 83 174.885 176.776 -1.891 1
1 749 . 20 1 1 A 83 83 GLU HA H 83 4.974 4.535 0.439 1
1 752 . 20 1 1 A 84 84 GLU H H 84 8.806 9.002 -0.196 1
1 753 . 20 1 1 A 84 84 GLU N N 84 120.300 124.696 -4.396 1
1 754 . 20 1 1 A 84 84 GLU CA C 84 55.553 58.035 -2.482 1
1 755 . 20 1 1 A 84 84 GLU CB C 84 27.117 30.347 -3.230 1
1 756 . 20 1 1 A 84 84 GLU C C 84 174.261 177.477 -3.216 1
1 757 . 20 1 1 A 84 84 GLU HA H 84 4.112 4.364 -0.252 1
1 761 . 20 1 1 A 85 85 ASN H H 85 8.429 7.964 0.465 1
1 762 . 20 1 1 A 85 85 ASN N N 85 114.800 115.923 -1.123 1
1 763 . 20 1 1 A 85 85 ASN CA C 85 51.788 52.810 -1.022 1
1 764 . 20 1 1 A 85 85 ASN CB C 85 35.301 38.485 -3.184 1
1 765 . 20 1 1 A 85 85 ASN C C 85 172.203 174.642 -2.439 1
1 766 . 20 1 1 A 85 85 ASN HA H 85 4.343 4.886 -0.543 1
1 769 . 20 1 1 A 86 86 HIS H H 86 8.081 8.019 0.062 1
1 770 . 20 1 1 A 86 86 HIS N N 86 108.737 115.832 -7.095 1
1 771 . 20 1 1 A 86 86 HIS CA C 86 55.255 56.646 -1.391 1
1 772 . 20 1 1 A 86 86 HIS CB C 86 24.858 28.060 -3.202 1
1 773 . 20 1 1 A 86 86 HIS C C 86 171.039 173.267 -2.228 1
1 774 . 20 1 1 A 86 86 HIS HA H 86 4.260 4.097 0.163 1
1 777 . 20 1 1 A 87 87 TYR H H 87 7.592 7.710 -0.118 1
1 778 . 20 1 1 A 87 87 TYR N N 87 117.738 117.985 -0.247 1
1 779 . 20 1 1 A 87 87 TYR CA C 87 56.163 56.150 0.013 1
1 780 . 20 1 1 A 87 87 TYR CB C 87 38.643 43.209 -4.566 1
1 781 . 20 1 1 A 87 87 TYR C C 87 171.983 174.172 -2.189 1
1 782 . 20 1 1 A 87 87 TYR HA H 87 4.836 4.936 -0.100 1
1 784 . 20 1 1 A 88 88 ASN H H 88 9.840 8.724 1.116 1
1 785 . 20 1 1 A 88 88 ASN N N 88 118.891 119.529 -0.638 1
1 786 . 20 1 1 A 88 88 ASN CA C 88 50.063 51.859 -1.796 1
1 787 . 20 1 1 A 88 88 ASN CB C 88 40.242 40.909 -0.667 1
1 788 . 20 1 1 A 88 88 ASN C C 88 172.471 174.138 -1.667 1
1 789 . 20 1 1 A 88 88 ASN HA H 88 5.837 5.574 0.263 1
1 795 . 20 1 1 A 89 89 THR H H 89 8.380 8.628 -0.248 1
1 796 . 20 1 1 A 89 89 THR N N 89 108.521 116.491 -7.970 1
1 797 . 20 1 1 A 89 89 THR CA C 89 57.357 59.651 -2.294 1
1 798 . 20 1 1 A 89 89 THR CB C 89 70.868 72.780 -1.912 1
1 799 . 20 1 1 A 89 89 THR C C 89 170.548 172.278 -1.730 1
1 800 . 20 1 1 A 89 89 THR HA H 89 5.127 4.957 0.170 1
1 805 . 20 1 1 A 90 90 TYR H H 90 10.247 8.795 1.452 1
1 806 . 20 1 1 A 90 90 TYR N N 90 119.000 120.819 -1.819 1
1 807 . 20 1 1 A 90 90 TYR CA C 90 55.106 56.089 -0.983 1
1 808 . 20 1 1 A 90 90 TYR CB C 90 39.047 42.563 -3.516 1
1 809 . 20 1 1 A 90 90 TYR C C 90 172.442 174.823 -2.381 1
1 810 . 20 1 1 A 90 90 TYR HA H 90 5.472 5.385 0.087 1
1 812 . 20 1 1 A 91 91 ILE H H 91 8.781 9.263 -0.482 1
1 813 . 20 1 1 A 91 91 ILE N N 91 122.546 122.431 0.115 1
1 814 . 20 1 1 A 91 91 ILE CA C 91 56.346 59.407 -3.061 1
1 815 . 20 1 1 A 91 91 ILE CB C 91 36.627 41.675 -5.048 1
1 816 . 20 1 1 A 91 91 ILE C C 91 172.924 174.618 -1.694 1
1 817 . 20 1 1 A 91 91 ILE HA H 91 4.673 4.828 -0.155 1
1 826 . 20 1 1 A 92 92 SER H H 92 8.191 8.487 -0.296 1
1 827 . 20 1 1 A 92 92 SER N N 92 120.200 120.880 -0.680 1
1 828 . 20 1 1 A 92 92 SER CA C 92 55.781 57.947 -2.166 1
1 829 . 20 1 1 A 92 92 SER CB C 92 62.382 62.647 -0.265 1
1 830 . 20 1 1 A 92 92 SER C C 92 172.863 174.078 -1.215 1
1 831 . 20 1 1 A 92 92 SER HA H 92 4.016 4.765 -0.749 1
1 833 . 20 1 1 A 93 93 LYS H H 93 7.993 8.395 -0.402 1
1 834 . 20 1 1 A 93 93 LYS N N 93 130.618 126.761 3.857 1
1 835 . 20 1 1 A 93 93 LYS CA C 93 57.942 58.063 -0.121 1
1 836 . 20 1 1 A 93 93 LYS CB C 93 30.889 31.982 -1.093 1
1 837 . 20 1 1 A 93 93 LYS C C 93 176.938 177.737 -0.799 1
1 838 . 20 1 1 A 93 93 LYS HA H 93 3.779 4.031 -0.252 1
1 844 . 20 1 1 A 94 94 LYS H H 94 8.616 7.887 0.729 1
1 845 . 20 1 1 A 94 94 LYS N N 94 120.044 120.795 -0.751 1
1 846 . 20 1 1 A 94 94 LYS CA C 94 55.868 59.038 -3.170 1
1 847 . 20 1 1 A 94 94 LYS CB C 94 30.329 32.462 -2.133 1
1 848 . 20 1 1 A 94 94 LYS C C 94 174.491 179.174 -4.683 1
1 849 . 20 1 1 A 94 94 LYS HA H 94 3.851 3.984 -0.133 1
1 856 . 20 1 1 A 95 95 HIS H H 95 7.249 7.902 -0.653 1
1 857 . 20 1 1 A 95 95 HIS N N 95 114.486 117.378 -2.892 1
1 858 . 20 1 1 A 95 95 HIS CA C 95 51.180 57.980 -6.800 1
1 859 . 20 1 1 A 95 95 HIS CB C 95 26.844 29.398 -2.554 1
1 860 . 20 1 1 A 95 95 HIS C C 95 173.734 176.128 -2.394 1
1 861 . 20 1 1 A 95 95 HIS HA H 95 4.604 4.224 0.380 1
1 864 . 20 1 1 A 96 96 ALA H H 96 7.104 7.123 -0.019 1
1 865 . 20 1 1 A 96 96 ALA N N 96 125.204 118.636 6.568 1
1 866 . 20 1 1 A 96 96 ALA CA C 96 53.758 54.617 -0.859 1
1 867 . 20 1 1 A 96 96 ALA CB C 96 16.578 17.896 -1.318 1
1 868 . 20 1 1 A 96 96 ALA C C 96 178.508 178.936 -0.428 1
1 869 . 20 1 1 A 96 96 ALA HA H 96 4.131 3.518 0.613 1
1 873 . 20 1 1 A 97 97 GLU H H 97 8.857 8.525 0.332 1
1 874 . 20 1 1 A 97 97 GLU N N 97 118.007 117.593 0.414 1
1 875 . 20 1 1 A 97 97 GLU CA C 97 56.153 58.952 -2.799 1
1 876 . 20 1 1 A 97 97 GLU CB C 97 26.241 29.120 -2.879 1
1 877 . 20 1 1 A 97 97 GLU C C 97 174.813 177.630 -2.817 1
1 878 . 20 1 1 A 97 97 GLU HA H 97 4.063 4.019 0.044 1
1 882 . 20 1 1 A 98 98 LYS H H 98 7.116 7.433 -0.317 1
1 883 . 20 1 1 A 98 98 LYS N N 98 116.241 118.103 -1.862 1
1 884 . 20 1 1 A 98 98 LYS CA C 98 52.852 56.204 -3.352 1
1 885 . 20 1 1 A 98 98 LYS CB C 98 29.959 32.576 -2.617 1
1 886 . 20 1 1 A 98 98 LYS C C 98 173.361 176.350 -2.989 1
1 887 . 20 1 1 A 98 98 LYS HA H 98 4.280 4.386 -0.106 1
1 893 . 20 1 1 A 99 99 ASN H H 99 7.842 8.262 -0.420 1
1 894 . 20 1 1 A 99 99 ASN N N 99 113.000 116.886 -3.886 1
1 895 . 20 1 1 A 99 99 ASN CA C 99 52.240 54.669 -2.429 1
1 896 . 20 1 1 A 99 99 ASN CB C 99 35.289 38.111 -2.822 1
1 897 . 20 1 1 A 99 99 ASN C C 99 170.506 174.409 -3.903 1
1 898 . 20 1 1 A 99 99 ASN HA H 99 3.772 4.377 -0.605 1
1 904 . 20 1 1 A 100 100 TRP H H 100 6.369 7.599 -1.230 1
1 905 . 20 1 1 A 100 100 TRP N N 100 116.000 120.694 -4.694 1
1 906 . 20 1 1 A 100 100 TRP CA C 100 53.179 57.466 -4.287 1
1 907 . 20 1 1 A 100 100 TRP CB C 100 28.228 29.945 -1.717 1
1 908 . 20 1 1 A 100 100 TRP C C 100 171.701 175.865 -4.164 1
1 909 . 20 1 1 A 100 100 TRP HA H 100 4.816 4.517 0.299 1
1 912 . 20 1 1 A 101 101 PHE H H 101 8.026 9.280 -1.254 1
1 913 . 20 1 1 A 101 101 PHE N N 101 124.185 119.758 4.427 1
1 914 . 20 1 1 A 101 101 PHE CA C 101 55.472 57.250 -1.778 1
1 915 . 20 1 1 A 101 101 PHE CB C 101 39.220 41.569 -2.349 1
1 916 . 20 1 1 A 101 101 PHE C C 101 175.044 175.096 -0.052 1
1 917 . 20 1 1 A 101 101 PHE HA H 101 5.373 5.308 0.065 1
1 920 . 20 1 1 A 102 102 VAL H H 102 8.499 8.343 0.156 1
1 921 . 20 1 1 A 102 102 VAL N N 102 120.282 122.615 -2.333 1
1 922 . 20 1 1 A 102 102 VAL CA C 102 60.975 60.721 0.254 1
1 923 . 20 1 1 A 102 102 VAL CB C 102 30.243 32.845 -2.602 1
1 924 . 20 1 1 A 102 102 VAL C C 102 174.220 175.251 -1.031 1
1 925 . 20 1 1 A 102 102 VAL HA H 102 3.939 4.668 -0.729 1
1 930 . 20 1 1 A 103 103 GLY H H 103 8.996 8.819 0.177 1
1 931 . 20 1 1 A 103 103 GLY N N 103 114.668 115.602 -0.934 1
1 932 . 20 1 1 A 103 103 GLY CA C 103 43.802 44.247 -0.445 1
1 933 . 20 1 1 A 103 103 GLY C C 103 169.388 172.643 -3.255 1
1 934 . 20 1 1 A 103 103 GLY HA2 H 103 5.275 4.454 0.821 1
1 935 . 20 1 1 A 103 103 GLY HA3 H 103 3.180 4.656 -1.476 1
1 936 . 20 1 1 A 104 104 LEU H H 104 8.118 8.326 -0.208 1
1 937 . 20 1 1 A 104 104 LEU N N 104 119.100 119.559 -0.459 1
1 938 . 20 1 1 A 104 104 LEU CA C 104 51.207 52.620 -1.413 1
1 939 . 20 1 1 A 104 104 LEU CB C 104 43.579 45.929 -2.350 1
1 940 . 20 1 1 A 104 104 LEU C C 104 174.252 174.635 -0.383 1
1 941 . 20 1 1 A 104 104 LEU HA H 104 4.959 5.218 -0.259 1
1 950 . 20 1 1 A 105 105 LYS H H 105 8.847 8.554 0.293 1
1 951 . 20 1 1 A 105 105 LYS N N 105 118.900 122.844 -3.944 1
1 952 . 20 1 1 A 105 105 LYS CA C 105 54.035 55.254 -1.219 1
1 953 . 20 1 1 A 105 105 LYS C C 105 176.404 176.637 -0.233 1
1 954 . 20 1 1 A 105 105 LYS HA H 105 4.215 4.458 -0.243 1
1 960 . 20 1 1 A 106 106 LYS H H 106 8.980 8.530 0.450 1
1 961 . 20 1 1 A 106 106 LYS N N 106 122.172 124.696 -2.524 1
1 962 . 20 1 1 A 106 106 LYS CA C 106 57.672 59.025 -1.353 1
1 963 . 20 1 1 A 106 106 LYS CB C 106 29.780 32.069 -2.289 1
1 964 . 20 1 1 A 106 106 LYS C C 106 174.499 179.061 -4.562 1
1 965 . 20 1 1 A 106 106 LYS HA H 106 3.624 4.056 -0.432 1
1 970 . 20 1 1 A 107 107 ASN H H 107 7.352 7.834 -0.482 1
1 971 . 20 1 1 A 107 107 ASN N N 107 112.743 118.526 -5.783 1
1 972 . 20 1 1 A 107 107 ASN CA C 107 49.523 55.154 -5.631 1
1 973 . 20 1 1 A 107 107 ASN CB C 107 35.121 38.151 -3.030 1
1 974 . 20 1 1 A 107 107 ASN C C 107 174.511 176.819 -2.308 1
1 975 . 20 1 1 A 107 107 ASN HA H 107 4.678 4.446 0.232 1
1 978 . 20 1 1 A 108 108 GLY H H 108 7.656 7.751 -0.095 1
1 979 . 20 1 1 A 108 108 GLY N N 108 109.900 107.741 2.159 1
1 980 . 20 1 1 A 108 108 GLY CA C 108 42.207 45.541 -3.334 1
1 981 . 20 1 1 A 108 108 GLY C C 108 169.305 173.380 -4.075 1
1 982 . 20 1 1 A 108 108 GLY HA3 H 108 3.358 4.040 -0.682 1
1 983 . 20 1 1 A 108 108 GLY HA2 H 108 2.111 4.031 -1.920 1
1 984 . 20 1 1 A 109 109 SER H H 109 7.280 7.878 -0.598 1
1 985 . 20 1 1 A 109 109 SER N N 109 112.357 112.578 -0.221 1
1 986 . 20 1 1 A 109 109 SER CA C 109 55.139 57.799 -2.660 1
1 987 . 20 1 1 A 109 109 SER CB C 109 62.749 67.044 -4.295 1
1 988 . 20 1 1 A 109 109 SER C C 109 171.244 171.822 -0.578 1
1 989 . 20 1 1 A 109 109 SER HA H 109 4.755 5.101 -0.346 1
1 992 . 20 1 1 A 110 110 CYS H H 110 9.070 8.927 0.143 1
1 993 . 20 1 1 A 110 110 CYS N N 110 119.883 122.372 -2.489 1
1 994 . 20 1 1 A 110 110 CYS CA C 110 57.858 57.549 0.309 1
1 995 . 20 1 1 A 110 110 CYS CB C 110 37.322 28.233 9.089 1
1 996 . 20 1 1 A 110 110 CYS C C 110 172.131 173.835 -1.704 1
1 997 . 20 1 1 A 110 110 CYS HA H 110 4.296 4.794 -0.498 1
1 1000 . 20 1 1 A 111 111 LYS H H 111 8.095 8.900 -0.805 1
1 1001 . 20 1 1 A 111 111 LYS N N 111 128.642 124.107 4.535 1
1 1002 . 20 1 1 A 111 111 LYS CA C 111 52.117 54.971 -2.854 1
1 1003 . 20 1 1 A 111 111 LYS CB C 111 30.980 34.292 -3.312 1
1 1004 . 20 1 1 A 111 111 LYS C C 111 172.265 175.126 -2.861 1
1 1005 . 20 1 1 A 111 111 LYS HA H 111 4.380 5.149 -0.769 1
1 1010 . 20 1 1 A 112 112 ARG H H 112 8.566 8.730 -0.164 1
1 1011 . 20 1 1 A 112 112 ARG N N 112 124.700 124.870 -0.170 1
1 1012 . 20 1 1 A 112 112 ARG CA C 112 54.295 54.819 -0.524 1
1 1013 . 20 1 1 A 112 112 ARG CB C 112 28.927 31.542 -2.615 1
1 1014 . 20 1 1 A 112 112 ARG C C 112 175.240 175.849 -0.609 1
1 1015 . 20 1 1 A 112 112 ARG HA H 112 4.252 4.858 -0.606 1
1 1021 . 20 1 1 A 113 113 GLY H H 113 9.408 8.464 0.944 1
1 1022 . 20 1 1 A 113 113 GLY N N 113 106.636 112.644 -6.008 1
1 1023 . 20 1 1 A 113 113 GLY CA C 113 44.552 46.783 -2.231 1
1 1024 . 20 1 1 A 113 113 GLY C C 113 169.610 174.274 -4.664 1
1 1025 . 20 1 1 A 113 113 GLY HA2 H 113 1.510 3.854 -2.344 1
1 1026 . 20 1 1 A 114 114 PRO CA C 114 62.529 64.854 -2.325 1
1 1027 . 20 1 1 A 114 114 PRO C C 114 174.543 177.484 -2.941 1
1 1028 . 20 1 1 A 114 114 PRO HA H 114 4.321 4.118 0.203 1
1 1033 . 20 1 1 A 115 115 ARG H H 115 8.067 8.069 -0.002 1
1 1034 . 20 1 1 A 115 115 ARG N N 115 114.500 116.821 -2.321 1
1 1035 . 20 1 1 A 115 115 ARG CA C 115 52.011 56.913 -4.902 1
1 1036 . 20 1 1 A 115 115 ARG CB C 115 27.143 31.325 -4.182 1
1 1037 . 20 1 1 A 115 115 ARG C C 115 174.680 176.168 -1.488 1
1 1038 . 20 1 1 A 115 115 ARG HA H 115 4.508 4.315 0.193 1
1 1043 . 20 1 1 A 116 116 THR H H 116 7.643 7.513 0.130 1
1 1044 . 20 1 1 A 116 116 THR N N 116 111.716 111.281 0.435 1
1 1045 . 20 1 1 A 116 116 THR CA C 116 58.712 62.227 -3.515 1
1 1046 . 20 1 1 A 116 116 THR CB C 116 70.086 69.531 0.555 1
1 1047 . 20 1 1 A 116 116 THR C C 116 172.573 174.019 -1.446 1
1 1048 . 20 1 1 A 116 116 THR HA H 116 5.198 4.334 0.864 1
1 1053 . 20 1 1 A 117 117 HIS H H 117 7.091 8.347 -1.256 1
1 1054 . 20 1 1 A 117 117 HIS N N 117 112.914 122.636 -9.722 1
1 1055 . 20 1 1 A 117 117 HIS CA C 117 53.291 55.237 -1.946 1
1 1056 . 20 1 1 A 117 117 HIS CB C 117 29.133 31.179 -2.046 1
1 1057 . 20 1 1 A 117 117 HIS C C 117 170.344 171.612 -1.268 1
1 1058 . 20 1 1 A 117 117 HIS HA H 117 4.868 3.932 0.936 1
1 1061 . 20 1 1 A 118 118 TYR H H 118 9.020 8.035 0.985 1
1 1062 . 20 1 1 A 118 118 TYR N N 118 123.051 122.345 0.706 1
1 1063 . 20 1 1 A 118 118 TYR CA C 118 58.801 56.482 2.319 1
1 1064 . 20 1 1 A 118 118 TYR CB C 118 29.959 37.613 -7.654 1
1 1065 . 20 1 1 A 118 118 TYR C C 118 174.446 174.949 -0.503 1
1 1066 . 20 1 1 A 118 118 TYR HA H 118 3.897 4.468 -0.571 1
1 1069 . 20 1 1 A 119 119 GLY H H 119 7.999 8.915 -0.916 1
1 1070 . 20 1 1 A 119 119 GLY N N 119 116.885 112.953 3.932 1
1 1071 . 20 1 1 A 119 119 GLY CA C 119 42.599 45.992 -3.393 1
1 1072 . 20 1 1 A 119 119 GLY C C 119 172.439 173.444 -1.005 1
1 1073 . 20 1 1 A 119 119 GLY HA3 H 119 4.385 4.063 0.322 1
1 1074 . 20 1 1 A 119 119 GLY HA2 H 119 3.296 4.024 -0.728 1
1 1075 . 20 1 1 A 120 120 GLN H H 120 7.003 7.620 -0.617 1
1 1076 . 20 1 1 A 120 120 GLN N N 120 118.266 117.780 0.486 1
1 1077 . 20 1 1 A 120 120 GLN CA C 120 52.617 53.802 -1.185 1
1 1078 . 20 1 1 A 120 120 GLN CB C 120 27.324 32.614 -5.290 1
1 1079 . 20 1 1 A 120 120 GLN C C 120 174.995 175.851 -0.856 1
1 1080 . 20 1 1 A 120 120 GLN HA H 120 4.262 4.647 -0.385 1
1 1083 . 20 1 1 A 121 121 LYS H H 121 8.477 8.791 -0.314 1
1 1084 . 20 1 1 A 121 121 LYS N N 121 121.222 121.154 0.068 1
1 1085 . 20 1 1 A 121 121 LYS CA C 121 56.243 58.051 -1.808 1
1 1086 . 20 1 1 A 121 121 LYS CB C 121 29.598 31.534 -1.936 1
1 1087 . 20 1 1 A 121 121 LYS C C 121 172.702 177.016 -4.314 1
1 1088 . 20 1 1 A 121 121 LYS HA H 121 3.809 3.895 -0.086 1
1 1093 . 20 1 1 A 122 122 ALA H H 122 7.526 7.650 -0.124 1
1 1094 . 20 1 1 A 122 122 ALA N N 122 116.019 122.879 -6.860 1
1 1095 . 20 1 1 A 122 122 ALA CA C 122 52.338 53.872 -1.534 1
1 1096 . 20 1 1 A 122 122 ALA CB C 122 18.675 18.247 0.428 1
1 1097 . 20 1 1 A 122 122 ALA C C 122 172.756 177.671 -4.915 1
1 1098 . 20 1 1 A 122 122 ALA HA H 122 3.947 3.989 -0.042 1
1 1102 . 20 1 1 A 123 123 ILE H H 123 5.794 7.404 -1.610 1
1 1103 . 20 1 1 A 123 123 ILE N N 123 101.200 113.989 -12.789 1
1 1104 . 20 1 1 A 123 123 ILE CA C 123 57.297 60.850 -3.553 1
1 1105 . 20 1 1 A 123 123 ILE CB C 123 35.425 37.539 -2.114 1
1 1106 . 20 1 1 A 123 123 ILE C C 123 172.790 175.234 -2.444 1
1 1107 . 20 1 1 A 123 123 ILE HA H 123 5.184 4.145 1.039 1
1 1116 . 20 1 1 A 124 124 LEU H H 124 6.716 7.377 -0.661 1
1 1117 . 20 1 1 A 124 124 LEU N N 124 121.554 122.901 -1.347 1
1 1118 . 20 1 1 A 124 124 LEU CA C 124 51.686 53.177 -1.491 1
1 1119 . 20 1 1 A 124 124 LEU CB C 124 39.622 41.255 -1.633 1
1 1120 . 20 1 1 A 124 124 LEU C C 124 173.411 175.080 -1.669 1
1 1121 . 20 1 1 A 124 124 LEU HA H 124 4.597 4.401 0.196 1
1 1130 . 20 1 1 A 125 125 PHE H H 125 9.226 9.053 0.173 1
1 1131 . 20 1 1 A 125 125 PHE N N 125 121.900 123.896 -1.996 1
1 1132 . 20 1 1 A 125 125 PHE CA C 125 54.604 56.932 -2.328 1
1 1133 . 20 1 1 A 125 125 PHE CB C 125 41.692 41.617 0.075 1
1 1134 . 20 1 1 A 125 125 PHE C C 125 172.768 175.156 -2.388 1
1 1135 . 20 1 1 A 125 125 PHE HA H 125 5.612 4.944 0.668 1
1 1138 . 20 1 1 A 126 126 LEU H H 126 9.932 8.747 1.185 1
1 1139 . 20 1 1 A 126 126 LEU N N 126 125.427 123.167 2.260 1
1 1140 . 20 1 1 A 126 126 LEU CA C 126 48.875 51.140 -2.265 1
1 1141 . 20 1 1 A 127 127 PRO CA C 127 58.907 62.109 -3.202 1
1 1142 . 20 1 1 A 127 127 PRO CB C 127 28.730 32.012 -3.282 1
1 1143 . 20 1 1 A 127 127 PRO C C 127 174.541 176.039 -1.498 1
1 1144 . 20 1 1 A 127 127 PRO HA H 127 5.587 5.201 0.386 1
1 1147 . 20 1 1 A 128 128 LEU H H 128 9.674 8.403 1.271 1
1 1148 . 20 1 1 A 128 128 LEU N N 128 129.196 123.634 5.562 1
1 1149 . 20 1 1 A 128 128 LEU CA C 128 49.523 51.581 -2.058 1
1 1150 . 20 1 1 A 128 128 LEU C C 128 175.960 175.267 0.693 1
1 1151 . 20 1 1 A 129 129 PRO CA C 129 60.043 62.198 -2.155 1
1 1152 . 20 1 1 A 129 129 PRO CB C 129 29.800 32.510 -2.710 1
1 1153 . 20 1 1 A 129 129 PRO C C 129 174.414 176.376 -1.962 1
1 1154 . 20 1 1 A 129 129 PRO HA H 129 4.710 4.662 0.048 1
1 1160 . 20 1 1 A 130 130 VAL H H 130 7.992 8.069 -0.077 1
1 1161 . 20 1 1 A 130 130 VAL N N 130 118.275 120.781 -2.506 1
1 1162 . 20 1 1 A 130 130 VAL CA C 130 61.494 62.763 -1.269 1
1 1163 . 20 1 1 A 130 130 VAL CB C 130 29.649 32.065 -2.416 1
1 1164 . 20 1 1 A 130 130 VAL C C 130 174.097 175.404 -1.307 1
1 1165 . 20 1 1 A 130 130 VAL HA H 130 3.794 4.071 -0.277 1
1 1173 . 20 1 1 A 131 131 SER H H 131 7.844 8.895 -1.051 1
1 1174 . 20 1 1 A 131 131 SER N N 131 115.853 123.313 -7.460 1
1 1175 . 20 1 1 A 131 131 SER CA C 131 55.233 56.299 -1.066 1
1 1176 . 20 1 1 A 131 131 SER CB C 131 61.375 65.052 -3.677 1
1 1177 . 20 1 1 A 131 131 SER C C 131 173.574 173.032 0.542 1
1 1178 . 20 1 1 A 131 131 SER HA H 131 4.218 5.096 -0.878 1
1 1181 . 20 1 1 A 132 132 SER H H 132 8.196 8.763 -0.567 1
1 1182 . 20 1 1 A 132 132 SER N N 132 118.100 119.226 -1.126 1
1 1183 . 20 1 1 A 132 132 SER CA C 132 56.021 56.994 -0.973 1
1 1184 . 20 1 1 A 132 132 SER CB C 132 61.848 64.041 -2.193 1
1 1185 . 20 1 1 A 132 132 SER C C 132 170.997 172.583 -1.586 1
1 1186 . 20 1 1 A 132 132 SER HA H 132 4.484 5.181 -0.697 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 125 2.523 1
2 1 1 1 "RMS(OBS, PRED)" CA 131 2.508 1
3 1 1 1 "RMS(OBS, PRED)" CB 105 3.940 1
4 1 1 1 "RMS(OBS, PRED)" H 125 0.750 1
5 1 1 1 "RMS(OBS, PRED)" HA 136 0.573 1
6 1 1 1 "RMS(OBS, PRED)" N 124 3.942 1
7 1 2 1 "RMS(OBS, PRED)" C 125 2.523 1
8 1 2 1 "RMS(OBS, PRED)" CA 131 2.465 1
9 1 2 1 "RMS(OBS, PRED)" CB 105 4.020 1
10 1 2 1 "RMS(OBS, PRED)" H 125 0.755 1
11 1 2 1 "RMS(OBS, PRED)" HA 136 0.598 1
12 1 2 1 "RMS(OBS, PRED)" N 124 3.992 1
13 1 3 1 "RMS(OBS, PRED)" C 125 2.465 1
14 1 3 1 "RMS(OBS, PRED)" CA 131 2.496 1
15 1 3 1 "RMS(OBS, PRED)" CB 105 3.893 1
16 1 3 1 "RMS(OBS, PRED)" H 125 0.764 1
17 1 3 1 "RMS(OBS, PRED)" HA 136 0.585 1
18 1 3 1 "RMS(OBS, PRED)" N 124 3.730 1
19 1 4 1 "RMS(OBS, PRED)" C 125 2.520 1
20 1 4 1 "RMS(OBS, PRED)" CA 131 2.495 1
21 1 4 1 "RMS(OBS, PRED)" CB 105 3.953 1
22 1 4 1 "RMS(OBS, PRED)" H 125 0.757 1
23 1 4 1 "RMS(OBS, PRED)" HA 136 0.583 1
24 1 4 1 "RMS(OBS, PRED)" N 124 4.030 1
25 1 5 1 "RMS(OBS, PRED)" C 125 2.487 1
26 1 5 1 "RMS(OBS, PRED)" CA 131 2.405 1
27 1 5 1 "RMS(OBS, PRED)" CB 105 4.010 1
28 1 5 1 "RMS(OBS, PRED)" H 125 0.751 1
29 1 5 1 "RMS(OBS, PRED)" HA 136 0.614 1
30 1 5 1 "RMS(OBS, PRED)" N 124 3.922 1
31 1 6 1 "RMS(OBS, PRED)" C 125 2.556 1
32 1 6 1 "RMS(OBS, PRED)" CA 131 2.529 1
33 1 6 1 "RMS(OBS, PRED)" CB 105 4.004 1
34 1 6 1 "RMS(OBS, PRED)" H 125 0.728 1
35 1 6 1 "RMS(OBS, PRED)" HA 136 0.544 1
36 1 6 1 "RMS(OBS, PRED)" N 124 3.976 1
37 1 7 1 "RMS(OBS, PRED)" C 125 2.478 1
38 1 7 1 "RMS(OBS, PRED)" CA 131 2.503 1
39 1 7 1 "RMS(OBS, PRED)" CB 105 3.969 1
40 1 7 1 "RMS(OBS, PRED)" H 125 0.742 1
41 1 7 1 "RMS(OBS, PRED)" HA 136 0.552 1
42 1 7 1 "RMS(OBS, PRED)" N 124 4.194 1
43 1 8 1 "RMS(OBS, PRED)" C 125 2.573 1
44 1 8 1 "RMS(OBS, PRED)" CA 131 2.479 1
45 1 8 1 "RMS(OBS, PRED)" CB 105 3.911 1
46 1 8 1 "RMS(OBS, PRED)" H 125 0.743 1
47 1 8 1 "RMS(OBS, PRED)" HA 136 0.587 1
48 1 8 1 "RMS(OBS, PRED)" N 124 3.942 1
49 1 9 1 "RMS(OBS, PRED)" C 125 2.485 1
50 1 9 1 "RMS(OBS, PRED)" CA 131 2.413 1
51 1 9 1 "RMS(OBS, PRED)" CB 105 3.903 1
52 1 9 1 "RMS(OBS, PRED)" H 125 0.731 1
53 1 9 1 "RMS(OBS, PRED)" HA 136 0.594 1
54 1 9 1 "RMS(OBS, PRED)" N 124 4.178 1
55 1 10 1 "RMS(OBS, PRED)" C 125 2.481 1
56 1 10 1 "RMS(OBS, PRED)" CA 131 2.544 1
57 1 10 1 "RMS(OBS, PRED)" CB 105 3.966 1
58 1 10 1 "RMS(OBS, PRED)" H 125 0.756 1
59 1 10 1 "RMS(OBS, PRED)" HA 136 0.617 1
60 1 10 1 "RMS(OBS, PRED)" N 124 4.226 1
61 1 11 1 "RMS(OBS, PRED)" C 125 2.575 1
62 1 11 1 "RMS(OBS, PRED)" CA 131 2.474 1
63 1 11 1 "RMS(OBS, PRED)" CB 105 3.970 1
64 1 11 1 "RMS(OBS, PRED)" H 125 0.748 1
65 1 11 1 "RMS(OBS, PRED)" HA 136 0.587 1
66 1 11 1 "RMS(OBS, PRED)" N 124 4.112 1
67 1 12 1 "RMS(OBS, PRED)" C 125 2.475 1
68 1 12 1 "RMS(OBS, PRED)" CA 131 2.456 1
69 1 12 1 "RMS(OBS, PRED)" CB 105 3.893 1
70 1 12 1 "RMS(OBS, PRED)" H 125 0.711 1
71 1 12 1 "RMS(OBS, PRED)" HA 136 0.593 1
72 1 12 1 "RMS(OBS, PRED)" N 124 4.027 1
73 1 13 1 "RMS(OBS, PRED)" C 125 2.552 1
74 1 13 1 "RMS(OBS, PRED)" CA 131 2.596 1
75 1 13 1 "RMS(OBS, PRED)" CB 105 3.999 1
76 1 13 1 "RMS(OBS, PRED)" H 125 0.721 1
77 1 13 1 "RMS(OBS, PRED)" HA 136 0.599 1
78 1 13 1 "RMS(OBS, PRED)" N 124 3.981 1
79 1 14 1 "RMS(OBS, PRED)" C 125 2.478 1
80 1 14 1 "RMS(OBS, PRED)" CA 131 2.431 1
81 1 14 1 "RMS(OBS, PRED)" CB 105 3.850 1
82 1 14 1 "RMS(OBS, PRED)" H 125 0.697 1
83 1 14 1 "RMS(OBS, PRED)" HA 136 0.592 1
84 1 14 1 "RMS(OBS, PRED)" N 124 3.915 1
85 1 15 1 "RMS(OBS, PRED)" C 125 2.450 1
86 1 15 1 "RMS(OBS, PRED)" CA 131 2.420 1
87 1 15 1 "RMS(OBS, PRED)" CB 105 4.002 1
88 1 15 1 "RMS(OBS, PRED)" H 125 0.747 1
89 1 15 1 "RMS(OBS, PRED)" HA 136 0.569 1
90 1 15 1 "RMS(OBS, PRED)" N 124 3.916 1
91 1 16 1 "RMS(OBS, PRED)" C 125 2.532 1
92 1 16 1 "RMS(OBS, PRED)" CA 131 2.530 1
93 1 16 1 "RMS(OBS, PRED)" CB 105 3.850 1
94 1 16 1 "RMS(OBS, PRED)" H 125 0.746 1
95 1 16 1 "RMS(OBS, PRED)" HA 136 0.599 1
96 1 16 1 "RMS(OBS, PRED)" N 124 4.150 1
97 1 17 1 "RMS(OBS, PRED)" C 125 2.600 1
98 1 17 1 "RMS(OBS, PRED)" CA 131 2.512 1
99 1 17 1 "RMS(OBS, PRED)" CB 105 3.942 1
100 1 17 1 "RMS(OBS, PRED)" H 125 0.735 1
101 1 17 1 "RMS(OBS, PRED)" HA 136 0.640 1
102 1 17 1 "RMS(OBS, PRED)" N 124 3.985 1
103 1 18 1 "RMS(OBS, PRED)" C 125 2.482 1
104 1 18 1 "RMS(OBS, PRED)" CA 131 2.395 1
105 1 18 1 "RMS(OBS, PRED)" CB 105 3.937 1
106 1 18 1 "RMS(OBS, PRED)" H 125 0.760 1
107 1 18 1 "RMS(OBS, PRED)" HA 136 0.597 1
108 1 18 1 "RMS(OBS, PRED)" N 124 4.048 1
109 1 19 1 "RMS(OBS, PRED)" C 125 2.471 1
110 1 19 1 "RMS(OBS, PRED)" CA 131 2.446 1
111 1 19 1 "RMS(OBS, PRED)" CB 105 3.998 1
112 1 19 1 "RMS(OBS, PRED)" H 125 0.767 1
113 1 19 1 "RMS(OBS, PRED)" HA 136 0.622 1
114 1 19 1 "RMS(OBS, PRED)" N 124 3.971 1
115 1 20 1 "RMS(OBS, PRED)" C 125 2.525 1
116 1 20 1 "RMS(OBS, PRED)" CA 131 2.629 1
117 1 20 1 "RMS(OBS, PRED)" CB 105 3.953 1
118 1 20 1 "RMS(OBS, PRED)" H 125 0.745 1
119 1 20 1 "RMS(OBS, PRED)" HA 136 0.598 1
120 1 20 1 "RMS(OBS, PRED)" N 124 3.939 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 12 . 1 1 A 2 2 LYS H H 2 7.955 8.190 -0.235 2
1 13 . 1 1 A 2 2 LYS N N 2 120.000 120.564 -0.564 2
1 14 . 1 1 A 2 2 LYS CA C 2 51.913 55.516 -3.603 2
1 15 . 1 1 A 2 2 LYS C C 2 174.300 176.260 -1.960 2
1 16 . 1 1 A 2 2 LYS HA H 2 4.270 4.650 -0.380 2
1 18 . 1 1 A 3 3 LYS H H 3 7.960 8.716 -0.756 2
1 19 . 1 1 A 3 3 LYS N N 3 119.640 122.483 -2.843 2
1 20 . 1 1 A 3 3 LYS CA C 3 51.900 57.453 -5.553 2
1 21 . 1 1 A 3 3 LYS HA H 3 4.600 4.472 0.128 2
1 24 . 1 1 A 4 4 PRO CA C 4 60.687 63.044 -2.357 2
1 25 . 1 1 A 4 4 PRO C C 4 172.359 176.576 -4.217 2
1 26 . 1 1 A 4 4 PRO CB C 4 30.627 32.136 -1.509 2
1 27 . 1 1 A 4 4 PRO HA H 4 4.716 4.547 0.169 2
1 29 . 1 1 A 5 5 LYS H H 5 9.357 8.876 0.481 2
1 30 . 1 1 A 5 5 LYS N N 5 119.100 121.531 -2.431 2
1 31 . 1 1 A 5 5 LYS CA C 5 51.445 55.401 -3.956 2
1 32 . 1 1 A 5 5 LYS CB C 5 34.945 34.253 0.692 2
1 33 . 1 1 A 5 5 LYS C C 5 171.776 175.610 -3.834 2
1 34 . 1 1 A 5 5 LYS HA H 5 5.062 4.723 0.339 2
1 37 . 1 1 A 6 6 LEU H H 6 8.944 9.016 -0.072 2
1 38 . 1 1 A 6 6 LEU N N 6 117.400 123.508 -6.108 2
1 39 . 1 1 A 6 6 LEU CA C 6 50.259 53.459 -3.200 2
1 40 . 1 1 A 6 6 LEU CB C 6 41.472 44.809 -3.337 2
1 41 . 1 1 A 6 6 LEU C C 6 174.676 175.338 -0.662 2
1 42 . 1 1 A 6 6 LEU HA H 6 4.984 5.059 -0.075 2
1 51 . 1 1 A 7 7 LEU H H 7 10.297 8.848 1.449 2
1 52 . 1 1 A 7 7 LEU N N 7 125.000 126.958 -1.958 2
1 53 . 1 1 A 7 7 LEU CA C 7 53.596 53.674 -0.078 2
1 54 . 1 1 A 7 7 LEU C C 7 172.290 175.200 -2.910 2
1 55 . 1 1 A 7 7 LEU HA H 7 5.083 4.975 0.108 2
1 65 . 1 1 A 8 8 TYR H H 8 8.483 8.821 -0.338 2
1 66 . 1 1 A 8 8 TYR N N 8 125.000 127.968 -2.968 2
1 67 . 1 1 A 8 8 TYR CA C 8 54.761 56.061 -1.300 2
1 68 . 1 1 A 8 8 TYR CB C 8 37.988 40.042 -2.054 2
1 69 . 1 1 A 8 8 TYR C C 8 171.270 174.275 -3.005 2
1 70 . 1 1 A 8 8 TYR HA H 8 4.592 5.311 -0.719 2
1 73 . 1 1 A 9 9 CYS H H 9 9.235 8.898 0.337 2
1 74 . 1 1 A 9 9 CYS N N 9 130.104 126.995 3.109 2
1 75 . 1 1 A 9 9 CYS CA C 9 55.588 57.700 -2.112 2
1 76 . 1 1 A 9 9 CYS CB C 9 26.864 28.924 -2.060 2
1 77 . 1 1 A 9 9 CYS C C 9 172.619 173.329 -0.710 2
1 78 . 1 1 A 9 9 CYS HA H 9 4.163 5.086 -0.923 2
1 82 . 1 1 A 10 10 SER H H 10 8.173 8.463 -0.290 2
1 83 . 1 1 A 10 10 SER N N 10 122.600 120.666 1.934 2
1 84 . 1 1 A 10 10 SER CA C 10 57.853 57.260 0.593 2
1 85 . 1 1 A 10 10 SER CB C 10 61.820 64.920 -3.100 2
1 86 . 1 1 A 10 10 SER C C 10 172.210 172.796 -0.586 2
1 87 . 1 1 A 10 10 SER HA H 10 3.920 4.852 -0.932 2
1 89 . 1 1 A 11 11 ASN H H 11 7.450 8.664 -1.214 2
1 90 . 1 1 A 11 11 ASN N N 11 119.550 123.503 -3.953 2
1 91 . 1 1 A 11 11 ASN CA C 11 52.430 52.547 -0.117 2
1 92 . 1 1 A 11 11 ASN HA H 11 4.360 4.883 -0.523 2
1 94 . 1 1 A 12 12 GLY C C 12 171.806 173.455 -1.649 2
1 95 . 1 1 A 12 12 GLY CA C 12 41.915 46.054 -4.140 2
1 96 . 1 1 A 12 12 GLY HA3 H 12 3.927 4.095 -0.168 2
1 97 . 1 1 A 12 12 GLY H H 12 7.096 8.325 -1.229 2
1 98 . 1 1 A 12 12 GLY N N 12 109.300 111.926 -2.626 2
1 99 . 1 1 A 13 13 GLY H H 13 7.096 8.142 -1.046 2
1 100 . 1 1 A 13 13 GLY N N 13 109.300 109.633 -0.333 2
1 101 . 1 1 A 13 13 GLY CA C 13 44.272 45.718 -1.446 2
1 102 . 1 1 A 13 13 GLY C C 13 170.445 172.960 -2.515 2
1 103 . 1 1 A 13 13 GLY HA2 H 13 3.598 3.969 -0.371 2
1 104 . 1 1 A 13 13 GLY HA3 H 13 3.204 4.071 -0.867 2
1 105 . 1 1 A 14 14 HIS H H 14 6.302 8.327 -2.025 2
1 106 . 1 1 A 14 14 HIS N N 14 113.600 119.881 -6.281 2
1 107 . 1 1 A 14 14 HIS CA C 14 54.319 54.210 0.109 2
1 108 . 1 1 A 14 14 HIS CB C 14 31.792 34.117 -2.325 2
1 109 . 1 1 A 14 14 HIS C C 14 171.281 173.572 -2.291 2
1 110 . 1 1 A 14 14 HIS HA H 14 4.104 4.879 -0.775 2
1 113 . 1 1 A 15 15 PHE H H 15 9.298 8.915 0.383 2
1 114 . 1 1 A 15 15 PHE N N 15 120.700 118.319 2.381 2
1 115 . 1 1 A 15 15 PHE CA C 15 54.273 56.479 -2.206 2
1 116 . 1 1 A 15 15 PHE CB C 15 37.632 42.547 -4.915 2
1 117 . 1 1 A 15 15 PHE C C 15 173.938 174.662 -0.724 2
1 118 . 1 1 A 15 15 PHE HA H 15 5.390 5.072 0.318 2
1 121 . 1 1 A 16 16 LEU H H 16 8.480 8.632 -0.152 2
1 122 . 1 1 A 16 16 LEU N N 16 124.700 125.149 -0.449 2
1 123 . 1 1 A 16 16 LEU CA C 16 54.440 54.762 -0.322 2
1 124 . 1 1 A 16 16 LEU C C 16 171.758 175.734 -3.976 2
1 125 . 1 1 A 16 16 LEU CB C 16 41.301 43.131 -1.830 2
1 126 . 1 1 A 16 16 LEU HA H 16 4.394 5.336 -0.942 2
1 129 . 1 1 A 17 17 ARG H H 17 9.339 9.402 -0.063 2
1 130 . 1 1 A 17 17 ARG N N 17 126.971 124.985 1.986 2
1 131 . 1 1 A 17 17 ARG CA C 17 53.301 54.277 -0.976 2
1 132 . 1 1 A 17 17 ARG CB C 17 32.620 33.922 -1.302 2
1 133 . 1 1 A 17 17 ARG C C 17 171.302 175.284 -3.982 2
1 134 . 1 1 A 17 17 ARG HA H 17 4.715 5.129 -0.414 2
1 141 . 1 1 A 18 18 ILE H H 18 6.989 8.549 -1.560 2
1 142 . 1 1 A 18 18 ILE N N 18 120.966 119.712 1.254 2
1 143 . 1 1 A 18 18 ILE CA C 18 57.903 59.899 -1.996 2
1 144 . 1 1 A 18 18 ILE C C 18 173.747 174.986 -1.239 2
1 145 . 1 1 A 18 18 ILE HA H 18 4.563 4.991 -0.428 2
1 150 . 1 1 A 19 19 LEU H H 19 8.940 8.796 0.144 2
1 151 . 1 1 A 19 19 LEU N N 19 128.097 125.754 2.343 2
1 152 . 1 1 A 19 19 LEU CA C 19 51.419 51.462 -0.043 2
1 153 . 1 1 A 20 20 PRO CA C 20 62.710 64.023 -1.313 2
1 154 . 1 1 A 20 20 PRO CB C 20 29.518 31.967 -2.449 2
1 155 . 1 1 A 20 20 PRO C C 20 173.966 177.020 -3.054 2
1 156 . 1 1 A 20 20 PRO HA H 20 4.319 4.609 -0.290 2
1 161 . 1 1 A 21 21 ASP H H 21 7.415 7.981 -0.566 2
1 162 . 1 1 A 21 21 ASP N N 21 114.000 117.929 -3.929 2
1 163 . 1 1 A 21 21 ASP CA C 21 51.361 54.183 -2.822 2
1 164 . 1 1 A 21 21 ASP CB C 21 37.419 41.420 -4.001 2
1 165 . 1 1 A 21 21 ASP C C 21 174.570 176.495 -1.925 2
1 166 . 1 1 A 21 21 ASP HA H 21 4.513 4.706 -0.193 2
1 169 . 1 1 A 22 22 GLY H H 22 8.404 8.324 0.080 2
1 170 . 1 1 A 22 22 GLY N N 22 109.100 107.397 1.702 2
1 171 . 1 1 A 22 22 GLY CA C 22 43.166 45.942 -2.776 2
1 172 . 1 1 A 22 22 GLY C C 22 172.565 174.222 -1.657 2
1 173 . 1 1 A 22 22 GLY HA3 H 22 4.632 4.140 0.492 2
1 174 . 1 1 A 22 22 GLY HA2 H 22 3.838 4.100 -0.262 2
1 175 . 1 1 A 23 23 THR H H 23 7.894 7.578 0.316 2
1 176 . 1 1 A 23 23 THR N N 23 116.800 114.398 2.402 2
1 177 . 1 1 A 23 23 THR CA C 23 61.304 61.295 0.009 2
1 178 . 1 1 A 23 23 THR CB C 23 67.455 71.684 -4.229 2
1 179 . 1 1 A 23 23 THR C C 23 170.170 172.911 -2.741 2
1 180 . 1 1 A 23 23 THR HA H 23 4.489 4.862 -0.373 2
1 185 . 1 1 A 24 24 VAL H H 24 7.792 9.013 -1.221 2
1 186 . 1 1 A 24 24 VAL N N 24 123.100 126.291 -3.191 2
1 187 . 1 1 A 24 24 VAL CA C 24 58.203 60.559 -2.356 2
1 188 . 1 1 A 24 24 VAL CB C 24 31.847 33.540 -1.693 2
1 189 . 1 1 A 24 24 VAL C C 24 171.629 174.470 -2.841 2
1 190 . 1 1 A 24 24 VAL HA H 24 5.084 5.006 0.078 2
1 195 . 1 1 A 25 25 ASP H H 25 8.906 8.685 0.221 2
1 196 . 1 1 A 25 25 ASP N N 25 131.200 126.268 4.932 2
1 197 . 1 1 A 25 25 ASP CA C 25 50.847 52.303 -1.456 2
1 198 . 1 1 A 25 25 ASP CB C 25 38.730 44.770 -6.040 2
1 199 . 1 1 A 25 25 ASP C C 25 170.281 174.936 -4.655 2
1 200 . 1 1 A 25 25 ASP HA H 25 4.313 5.351 -1.038 2
1 203 . 1 1 A 26 26 GLY H H 26 7.891 8.659 -0.768 2
1 204 . 1 1 A 26 26 GLY N N 26 102.500 107.466 -4.966 2
1 205 . 1 1 A 26 26 GLY CA C 26 42.057 44.986 -2.929 2
1 206 . 1 1 A 26 26 GLY C C 26 169.975 172.890 -2.915 2
1 207 . 1 1 A 26 26 GLY HA3 H 26 5.529 4.173 1.356 2
1 208 . 1 1 A 26 26 GLY HA2 H 26 3.015 4.133 -1.118 2
1 209 . 1 1 A 27 27 THR H H 27 8.529 9.303 -0.774 2
1 210 . 1 1 A 27 27 THR N N 27 112.700 118.426 -5.726 2
1 211 . 1 1 A 27 27 THR CA C 27 56.740 60.983 -4.243 2
1 212 . 1 1 A 27 27 THR CB C 27 67.326 72.515 -5.189 2
1 213 . 1 1 A 27 27 THR C C 27 170.554 172.904 -2.350 2
1 214 . 1 1 A 27 27 THR HA H 27 5.189 4.557 0.632 2
1 219 . 1 1 A 28 28 ARG H H 28 8.993 8.461 0.532 2
1 220 . 1 1 A 28 28 ARG N N 28 127.500 125.118 2.382 2
1 221 . 1 1 A 28 28 ARG CA C 28 54.938 55.735 -0.797 2
1 222 . 1 1 A 28 28 ARG CB C 28 37.260 30.877 6.383 2
1 223 . 1 1 A 28 28 ARG C C 28 173.450 174.984 -1.534 2
1 224 . 1 1 A 28 28 ARG HA H 28 4.691 4.821 -0.130 2
1 227 . 1 1 A 29 29 ASP H H 29 8.323 8.728 -0.405 2
1 228 . 1 1 A 29 29 ASP N N 29 121.000 125.392 -4.392 2
1 229 . 1 1 A 29 29 ASP CA C 29 50.779 53.356 -2.577 2
1 230 . 1 1 A 29 29 ASP C C 29 172.275 175.346 -3.071 2
1 231 . 1 1 A 29 29 ASP HA H 29 4.661 5.208 -0.547 2
1 234 . 1 1 A 30 30 ARG H H 30 8.342 8.753 -0.411 2
1 235 . 1 1 A 30 30 ARG N N 30 126.100 123.386 2.714 2
1 236 . 1 1 A 30 30 ARG CA C 30 54.924 55.729 -0.805 2
1 237 . 1 1 A 30 30 ARG CB C 30 28.367 30.475 -2.108 2
1 238 . 1 1 A 30 30 ARG C C 30 173.454 176.526 -3.072 2
1 239 . 1 1 A 30 30 ARG HA H 30 3.592 4.486 -0.894 2
1 243 . 1 1 A 31 31 SER H H 31 8.379 7.999 0.380 2
1 244 . 1 1 A 31 31 SER N N 31 113.600 113.924 -0.324 2
1 245 . 1 1 A 31 31 SER CA C 31 55.918 59.017 -3.099 2
1 246 . 1 1 A 31 31 SER CB C 31 61.807 63.333 -1.526 2
1 247 . 1 1 A 31 31 SER C C 31 171.758 173.553 -1.795 2
1 248 . 1 1 A 31 31 SER HA H 31 4.397 4.393 0.004 2
1 251 . 1 1 A 32 32 ASP H H 32 7.105 7.771 -0.666 2
1 252 . 1 1 A 32 32 ASP N N 32 125.000 121.197 3.803 2
1 253 . 1 1 A 32 32 ASP CA C 32 53.116 52.315 0.801 2
1 254 . 1 1 A 32 32 ASP CB C 32 41.585 43.225 -1.640 2
1 255 . 1 1 A 32 32 ASP C C 32 174.497 175.810 -1.313 2
1 256 . 1 1 A 32 32 ASP HA H 32 4.276 4.884 -0.608 2
1 259 . 1 1 A 33 33 GLN H H 33 8.775 8.447 0.328 2
1 260 . 1 1 A 33 33 GLN N N 33 124.700 120.883 3.817 2
1 261 . 1 1 A 33 33 GLN CA C 33 55.127 55.470 -0.343 2
1 262 . 1 1 A 33 33 GLN CB C 33 26.601 28.296 -1.695 2
1 263 . 1 1 A 33 33 GLN C C 33 174.900 175.872 -0.972 2
1 264 . 1 1 A 33 33 GLN HA H 33 4.061 4.587 -0.526 2
1 271 . 1 1 A 34 34 HIS H H 34 9.681 8.022 1.659 2
1 272 . 1 1 A 34 34 HIS N N 34 116.700 118.202 -1.502 2
1 273 . 1 1 A 34 34 HIS CA C 34 55.739 56.576 -0.837 2
1 274 . 1 1 A 34 34 HIS CB C 34 26.065 31.477 -5.412 2
1 275 . 1 1 A 34 34 HIS C C 34 172.307 176.001 -3.694 2
1 276 . 1 1 A 34 34 HIS HA H 34 4.885 4.859 0.026 2
1 279 . 1 1 A 35 35 ILE H H 35 6.711 7.609 -0.898 2
1 280 . 1 1 A 35 35 ILE N N 35 108.600 112.283 -3.683 2
1 281 . 1 1 A 35 35 ILE CA C 35 58.395 61.125 -2.730 2
1 282 . 1 1 A 35 35 ILE CB C 35 35.989 37.520 -1.531 2
1 283 . 1 1 A 35 35 ILE C C 35 172.249 175.971 -3.722 2
1 284 . 1 1 A 35 35 ILE HA H 35 5.114 4.413 0.701 2
1 293 . 1 1 A 36 36 GLN H H 36 7.148 7.899 -0.751 2
1 294 . 1 1 A 36 36 GLN N N 36 120.018 120.798 -0.780 2
1 295 . 1 1 A 36 36 GLN CA C 36 55.111 54.970 0.141 2
1 296 . 1 1 A 36 36 GLN CB C 36 25.190 29.761 -4.571 2
1 297 . 1 1 A 36 36 GLN C C 36 172.952 174.980 -2.028 2
1 298 . 1 1 A 36 36 GLN HA H 36 4.261 4.810 -0.549 2
1 305 . 1 1 A 37 37 LEU H H 37 9.110 8.912 0.198 2
1 306 . 1 1 A 37 37 LEU N N 37 127.600 123.255 4.345 2
1 307 . 1 1 A 37 37 LEU CA C 37 51.329 52.892 -1.563 2
1 308 . 1 1 A 37 37 LEU CB C 37 42.165 44.710 -2.545 2
1 309 . 1 1 A 37 37 LEU C C 37 172.877 175.054 -2.177 2
1 310 . 1 1 A 37 37 LEU HA H 37 5.315 5.164 0.151 2
1 319 . 1 1 A 38 38 GLN H H 38 9.556 9.295 0.261 2
1 320 . 1 1 A 38 38 GLN N N 38 120.583 121.615 -1.031 2
1 321 . 1 1 A 38 38 GLN CA C 38 51.810 55.010 -3.200 2
1 322 . 1 1 A 38 38 GLN CB C 38 29.259 29.671 -0.412 2
1 323 . 1 1 A 38 38 GLN C C 38 172.676 174.539 -1.863 2
1 324 . 1 1 A 38 38 GLN HA H 38 4.623 4.629 -0.006 2
1 328 . 1 1 A 39 39 LEU H H 39 8.926 9.082 -0.156 2
1 329 . 1 1 A 39 39 LEU N N 39 131.700 129.610 2.090 2
1 330 . 1 1 A 39 39 LEU CA C 39 53.062 53.805 -0.743 2
1 331 . 1 1 A 39 39 LEU C C 39 174.601 175.285 -0.684 2
1 332 . 1 1 A 39 39 LEU HA H 39 5.506 5.105 0.401 2
1 341 . 1 1 A 40 40 SER H H 40 8.569 8.712 -0.143 2
1 342 . 1 1 A 40 40 SER N N 40 115.900 122.882 -6.982 2
1 343 . 1 1 A 40 40 SER CA C 40 54.925 57.006 -2.081 2
1 344 . 1 1 A 40 40 SER CB C 40 46.694 66.151 -19.457 2
1 345 . 1 1 A 40 40 SER C C 40 170.046 173.031 -2.985 2
1 346 . 1 1 A 40 40 SER HA H 40 4.676 5.246 -0.570 2
1 349 . 1 1 A 41 41 ALA H H 41 8.357 8.594 -0.237 2
1 350 . 1 1 A 41 41 ALA N N 41 125.900 124.718 1.182 2
1 351 . 1 1 A 41 41 ALA CA C 41 49.309 50.638 -1.329 2
1 352 . 1 1 A 41 41 ALA CB C 41 27.376 20.171 7.205 2
1 353 . 1 1 A 41 41 ALA C C 41 175.352 177.136 -1.784 2
1 354 . 1 1 A 41 41 ALA HA H 41 5.016 4.917 0.099 2
1 358 . 1 1 A 42 42 GLU H H 42 8.485 8.778 -0.293 2
1 359 . 1 1 A 42 42 GLU N N 42 125.400 124.997 0.403 2
1 360 . 1 1 A 42 42 GLU CA C 42 54.611 57.429 -2.818 2
1 361 . 1 1 A 42 42 GLU CB C 42 28.181 31.127 -2.946 2
1 362 . 1 1 A 42 42 GLU C C 42 174.014 176.086 -2.072 2
1 363 . 1 1 A 42 42 GLU HA H 42 4.444 4.532 -0.089 2
1 368 . 1 1 A 43 43 SER H H 43 8.020 7.985 0.035 2
1 369 . 1 1 A 43 43 SER N N 43 113.900 115.347 -1.447 2
1 370 . 1 1 A 43 43 SER CA C 43 55.014 57.428 -2.414 2
1 371 . 1 1 A 43 43 SER CB C 43 61.687 65.523 -3.836 2
1 372 . 1 1 A 43 43 SER C C 43 171.119 173.890 -2.771 2
1 373 . 1 1 A 43 43 SER HA H 43 4.516 4.782 -0.266 2
1 376 . 1 1 A 44 44 VAL H H 44 8.113 8.399 -0.286 2
1 377 . 1 1 A 44 44 VAL N N 44 121.100 123.008 -1.908 2
1 378 . 1 1 A 44 44 VAL CA C 44 62.838 64.271 -1.433 2
1 379 . 1 1 A 44 44 VAL CB C 44 28.991 31.271 -2.280 2
1 380 . 1 1 A 44 44 VAL C C 44 175.533 176.844 -1.311 2
1 381 . 1 1 A 44 44 VAL HA H 44 3.868 3.771 0.097 2
1 389 . 1 1 A 45 45 GLY H H 45 8.807 8.858 -0.051 2
1 390 . 1 1 A 45 45 GLY N N 45 115.545 115.553 -0.008 2
1 391 . 1 1 A 45 45 GLY CA C 45 43.553 45.237 -1.684 2
1 392 . 1 1 A 45 45 GLY C C 45 170.948 173.923 -2.975 2
1 393 . 1 1 A 45 45 GLY HA3 H 45 4.296 4.007 0.289 2
1 394 . 1 1 A 45 45 GLY HA2 H 45 3.995 4.000 -0.005 2
1 395 . 1 1 A 46 46 GLU H H 46 7.985 7.780 0.205 2
1 396 . 1 1 A 46 46 GLU N N 46 121.200 119.544 1.656 2
1 397 . 1 1 A 46 46 GLU CA C 46 52.751 55.472 -2.721 2
1 398 . 1 1 A 46 46 GLU CB C 46 29.432 31.480 -2.048 2
1 399 . 1 1 A 46 46 GLU C C 46 173.583 175.717 -2.134 2
1 400 . 1 1 A 46 46 GLU HA H 46 5.442 4.784 0.658 2
1 405 . 1 1 A 47 47 VAL H H 47 9.560 9.126 0.434 2
1 406 . 1 1 A 47 47 VAL N N 47 116.400 118.953 -2.553 2
1 407 . 1 1 A 47 47 VAL CA C 47 56.846 59.958 -3.112 2
1 408 . 1 1 A 47 47 VAL CB C 47 33.714 34.456 -0.742 2
1 409 . 1 1 A 47 47 VAL C C 47 172.960 173.680 -0.720 2
1 410 . 1 1 A 47 47 VAL HA H 47 5.505 5.139 0.366 2
1 418 . 1 1 A 48 48 TYR H H 48 8.415 9.204 -0.789 2
1 419 . 1 1 A 48 48 TYR N N 48 117.400 125.663 -8.263 2
1 420 . 1 1 A 48 48 TYR CA C 48 54.331 55.823 -1.492 2
1 421 . 1 1 A 48 48 TYR CB C 48 39.296 41.589 -2.293 2
1 422 . 1 1 A 48 48 TYR C C 48 173.423 173.862 -0.439 2
1 423 . 1 1 A 48 48 TYR HA H 48 5.290 5.297 -0.007 2
1 426 . 1 1 A 49 49 ILE H H 49 10.532 8.726 1.806 2
1 427 . 1 1 A 49 49 ILE N N 49 123.100 127.897 -4.797 2
1 428 . 1 1 A 49 49 ILE CA C 49 59.573 60.196 -0.623 2
1 429 . 1 1 A 49 49 ILE CB C 49 40.504 37.981 2.523 2
1 430 . 1 1 A 49 49 ILE C C 49 170.853 175.079 -4.226 2
1 431 . 1 1 A 49 49 ILE HA H 49 4.341 4.619 -0.278 2
1 438 . 1 1 A 50 50 LYS H H 50 8.511 8.762 -0.251 2
1 439 . 1 1 A 50 50 LYS N N 50 125.800 126.014 -0.214 2
1 440 . 1 1 A 50 50 LYS CA C 50 51.179 54.245 -3.066 2
1 441 . 1 1 A 50 50 LYS CB C 50 34.816 35.648 -0.831 2
1 442 . 1 1 A 50 50 LYS C C 50 173.759 175.429 -1.670 2
1 443 . 1 1 A 50 50 LYS HA H 50 4.991 4.847 0.144 2
1 451 . 1 1 A 51 51 SER H H 51 8.920 8.860 0.060 2
1 452 . 1 1 A 51 51 SER N N 51 117.579 118.340 -0.761 2
1 453 . 1 1 A 51 51 SER CA C 51 55.043 58.565 -3.522 2
1 454 . 1 1 A 51 51 SER CB C 51 61.065 63.632 -2.567 2
1 455 . 1 1 A 51 51 SER C C 51 175.084 174.348 0.736 2
1 456 . 1 1 A 51 51 SER HA H 51 4.666 4.546 0.120 2
1 459 . 1 1 A 52 52 THR H H 52 8.342 8.238 0.104 2
1 460 . 1 1 A 52 52 THR N N 52 123.200 119.919 3.281 2
1 461 . 1 1 A 52 52 THR CA C 52 62.792 64.598 -1.806 2
1 462 . 1 1 A 52 52 THR CB C 52 65.611 68.959 -3.348 2
1 463 . 1 1 A 52 52 THR C C 52 173.566 176.243 -2.677 2
1 464 . 1 1 A 52 52 THR HA H 52 3.996 4.038 -0.042 2
1 469 . 1 1 A 53 53 GLU H H 53 8.312 8.029 0.283 2
1 470 . 1 1 A 53 53 GLU N N 53 122.000 120.752 1.248 2
1 471 . 1 1 A 53 53 GLU CA C 53 55.889 58.204 -2.315 2
1 472 . 1 1 A 53 53 GLU CB C 53 28.359 30.539 -2.180 2
1 473 . 1 1 A 53 53 GLU C C 53 175.327 177.856 -2.529 2
1 474 . 1 1 A 53 53 GLU HA H 53 4.311 4.261 0.050 2
1 477 . 1 1 A 54 54 THR H H 54 7.724 7.785 -0.061 2
1 478 . 1 1 A 54 54 THR N N 54 103.100 109.922 -6.822 2
1 479 . 1 1 A 54 54 THR CA C 54 58.555 61.446 -2.891 2
1 480 . 1 1 A 54 54 THR CB C 54 69.030 69.099 -0.069 2
1 481 . 1 1 A 54 54 THR C C 54 173.942 175.582 -1.640 2
1 482 . 1 1 A 54 54 THR HA H 54 4.681 4.638 0.043 2
1 487 . 1 1 A 55 55 GLY H H 55 7.643 8.186 -0.543 2
1 488 . 1 1 A 55 55 GLY N N 55 110.700 110.792 -0.092 2
1 489 . 1 1 A 55 55 GLY CA C 55 43.594 45.778 -2.184 2
1 490 . 1 1 A 55 55 GLY HA3 H 55 4.150 3.963 0.187 2
1 491 . 1 1 A 55 55 GLY HA2 H 55 3.591 3.941 -0.350 2
1 492 . 1 1 A 55 55 GLY C C 55 170.694 174.207 -3.513 2
1 493 . 1 1 A 56 56 GLN H H 56 7.211 7.643 -0.432 2
1 494 . 1 1 A 56 56 GLN N N 56 115.700 115.631 0.069 2
1 495 . 1 1 A 56 56 GLN CA C 56 53.898 55.455 -1.557 2
1 496 . 1 1 A 56 56 GLN CB C 56 30.456 31.951 -1.495 2
1 497 . 1 1 A 56 56 GLN C C 56 172.141 172.949 -0.808 2
1 498 . 1 1 A 56 56 GLN HA H 56 4.311 4.690 -0.379 2
1 504 . 1 1 A 57 57 TYR H H 57 9.254 8.946 0.308 2
1 505 . 1 1 A 57 57 TYR N N 57 119.400 125.301 -5.901 2
1 506 . 1 1 A 57 57 TYR CA C 57 53.356 56.175 -2.819 2
1 507 . 1 1 A 57 57 TYR CB C 57 40.466 37.831 2.635 2
1 508 . 1 1 A 57 57 TYR C C 57 173.320 174.367 -1.047 2
1 509 . 1 1 A 57 57 TYR HA H 57 4.128 5.940 -1.812 2
1 512 . 1 1 A 58 58 LEU H H 58 9.126 8.453 0.673 2
1 513 . 1 1 A 58 58 LEU N N 58 123.600 127.146 -3.546 2
1 514 . 1 1 A 58 58 LEU CA C 58 53.256 55.086 -1.830 2
1 515 . 1 1 A 58 58 LEU CB C 58 40.466 42.256 -1.790 2
1 516 . 1 1 A 58 58 LEU C C 58 172.320 175.122 -2.802 2
1 517 . 1 1 A 58 58 LEU HA H 58 4.128 4.536 -0.408 2
1 524 . 1 1 A 59 59 ALA H H 59 8.656 8.293 0.363 2
1 525 . 1 1 A 59 59 ALA N N 59 126.947 127.838 -0.891 2
1 526 . 1 1 A 59 59 ALA CA C 59 48.450 50.307 -1.857 2
1 527 . 1 1 A 59 59 ALA CB C 59 21.261 20.818 0.443 2
1 528 . 1 1 A 59 59 ALA C C 59 172.722 175.609 -2.887 2
1 529 . 1 1 A 59 59 ALA HA H 59 5.124 4.853 0.271 2
1 533 . 1 1 A 60 60 MET H H 60 7.521 8.785 -1.264 2
1 534 . 1 1 A 60 60 MET N N 60 116.602 123.466 -6.864 2
1 535 . 1 1 A 60 60 MET CA C 60 52.251 54.549 -2.298 2
1 536 . 1 1 A 60 60 MET CB C 60 35.046 33.368 1.678 2
1 537 . 1 1 A 60 60 MET C C 60 173.753 174.896 -1.143 2
1 538 . 1 1 A 60 60 MET HA H 60 5.527 4.848 0.679 2
1 543 . 1 1 A 61 61 ASP H H 61 9.159 8.769 0.390 2
1 544 . 1 1 A 61 61 ASP N N 61 128.445 125.309 3.136 2
1 545 . 1 1 A 61 61 ASP CA C 61 51.480 52.748 -1.268 2
1 546 . 1 1 A 61 61 ASP CB C 61 39.346 42.219 -2.873 2
1 547 . 1 1 A 61 61 ASP C C 61 175.800 176.090 -0.290 2
1 548 . 1 1 A 61 61 ASP HA H 61 5.046 5.102 -0.056 2
1 551 . 1 1 A 62 62 THR H H 62 7.972 9.071 -1.099 2
1 552 . 1 1 A 62 62 THR N N 62 107.806 119.100 -11.294 2
1 553 . 1 1 A 62 62 THR CA C 62 62.626 64.535 -1.909 2
1 554 . 1 1 A 62 62 THR CB C 62 66.955 67.224 -0.269 2
1 555 . 1 1 A 62 62 THR C C 62 172.355 173.979 -1.624 2
1 556 . 1 1 A 62 62 THR HA H 62 4.134 4.130 0.004 2
1 561 . 1 1 A 63 63 ASP H H 63 8.333 8.662 -0.329 2
1 562 . 1 1 A 63 63 ASP N N 63 119.831 120.351 -0.520 2
1 563 . 1 1 A 63 63 ASP CA C 63 51.865 54.905 -3.040 2
1 564 . 1 1 A 63 63 ASP CB C 63 39.182 41.355 -2.173 2
1 565 . 1 1 A 63 63 ASP C C 63 174.438 177.347 -2.909 2
1 566 . 1 1 A 63 63 ASP HA H 63 4.964 4.684 0.280 2
1 569 . 1 1 A 64 64 GLY H H 64 8.264 8.182 0.082 2
1 570 . 1 1 A 64 64 GLY N N 64 109.142 107.746 1.396 2
1 571 . 1 1 A 64 64 GLY CA C 64 42.923 45.996 -3.073 2
1 572 . 1 1 A 64 64 GLY C C 64 171.248 173.974 -2.726 2
1 573 . 1 1 A 64 64 GLY HA3 H 64 3.652 4.043 -0.391 2
1 574 . 1 1 A 64 64 GLY HA2 H 64 3.397 3.864 -0.467 2
1 575 . 1 1 A 65 65 LEU H H 65 8.636 7.584 1.052 2
1 576 . 1 1 A 65 65 LEU N N 65 123.137 119.096 4.041 2
1 577 . 1 1 A 65 65 LEU CA C 65 52.224 53.640 -1.416 2
1 578 . 1 1 A 65 65 LEU CB C 65 40.557 45.560 -5.003 2
1 579 . 1 1 A 65 65 LEU C C 65 174.507 175.192 -0.685 2
1 580 . 1 1 A 65 65 LEU HA H 65 4.529 4.949 -0.420 2
1 590 . 1 1 A 66 66 LEU H H 66 7.431 8.865 -1.434 2
1 591 . 1 1 A 66 66 LEU N N 66 124.493 122.577 1.916 2
1 592 . 1 1 A 66 66 LEU CA C 66 51.635 53.487 -1.852 2
1 593 . 1 1 A 66 66 LEU CB C 66 40.474 43.909 -3.435 2
1 594 . 1 1 A 66 66 LEU C C 66 174.070 175.577 -1.507 2
1 595 . 1 1 A 66 66 LEU HA H 66 5.714 5.247 0.467 2
1 605 . 1 1 A 67 67 TYR H H 67 9.237 8.754 0.483 2
1 606 . 1 1 A 67 67 TYR N N 67 120.360 120.131 0.229 2
1 607 . 1 1 A 67 67 TYR CA C 67 54.076 55.232 -1.156 2
1 608 . 1 1 A 67 67 TYR CB C 67 38.903 42.117 -3.214 2
1 609 . 1 1 A 67 67 TYR C C 67 169.640 174.181 -4.541 2
1 610 . 1 1 A 67 67 TYR HA H 67 5.023 5.832 -0.809 2
1 612 . 1 1 A 68 68 GLY H H 68 8.928 8.484 0.444 2
1 613 . 1 1 A 68 68 GLY N N 68 105.646 106.827 -1.181 2
1 614 . 1 1 A 68 68 GLY CA C 68 41.569 45.704 -4.135 2
1 615 . 1 1 A 68 68 GLY C C 68 170.551 173.503 -2.952 2
1 616 . 1 1 A 68 68 GLY HA2 H 68 4.676 4.186 0.490 2
1 617 . 1 1 A 69 69 SER H H 69 9.608 9.138 0.470 2
1 618 . 1 1 A 69 69 SER N N 69 120.100 117.598 2.502 2
1 619 . 1 1 A 69 69 SER CA C 69 53.737 59.477 -5.740 2
1 620 . 1 1 A 69 69 SER CB C 69 63.042 65.584 -2.542 2
1 621 . 1 1 A 69 69 SER C C 69 174.219 175.286 -1.067 2
1 622 . 1 1 A 69 69 SER HA H 69 4.966 4.831 0.135 2
1 625 . 1 1 A 70 70 GLN H H 70 9.343 8.303 1.040 2
1 626 . 1 1 A 70 70 GLN N N 70 127.339 119.044 8.295 2
1 627 . 1 1 A 70 70 GLN CA C 70 56.139 57.736 -1.598 2
1 628 . 1 1 A 70 70 GLN CB C 70 27.092 29.873 -2.781 2
1 629 . 1 1 A 70 70 GLN C C 70 173.241 175.673 -2.432 2
1 630 . 1 1 A 70 70 GLN HA H 70 4.286 4.246 0.040 2
1 638 . 1 1 A 71 71 THR H H 71 7.532 7.955 -0.423 2
1 639 . 1 1 A 71 71 THR N N 71 108.100 111.128 -3.028 2
1 640 . 1 1 A 71 71 THR CA C 71 55.203 59.139 -3.936 2
1 641 . 1 1 A 71 71 THR HA H 71 4.780 4.974 -0.194 2
1 643 . 1 1 A 72 72 PRO CA C 72 60.050 62.151 -2.101 2
1 644 . 1 1 A 72 72 PRO CB C 72 26.678 31.206 -4.528 2
1 645 . 1 1 A 72 72 PRO C C 72 172.920 176.156 -3.236 2
1 646 . 1 1 A 72 72 PRO HA H 72 4.173 4.989 -0.816 2
1 649 . 1 1 A 73 73 ASN H H 73 7.321 8.788 -1.467 2
1 650 . 1 1 A 73 73 ASN N N 73 119.200 121.022 -1.822 2
1 651 . 1 1 A 73 73 ASN CA C 73 49.994 52.097 -2.103 2
1 652 . 1 1 A 74 74 GLU H H 74 9.030 8.640 0.390 2
1 653 . 1 1 A 74 74 GLU CA C 74 57.131 55.345 1.786 2
1 654 . 1 1 A 74 74 GLU CB C 74 27.005 30.095 -3.090 2
1 655 . 1 1 A 74 74 GLU C C 74 176.352 176.151 0.201 2
1 656 . 1 1 A 74 74 GLU HA H 74 4.130 4.653 -0.523 2
1 661 . 1 1 A 75 75 GLU H H 75 8.574 8.604 -0.030 2
1 662 . 1 1 A 75 75 GLU N N 75 119.200 123.472 -4.272 2
1 663 . 1 1 A 75 75 GLU CA C 75 56.343 56.678 -0.335 2
1 664 . 1 1 A 75 75 GLU CB C 75 26.028 31.831 -5.803 2
1 665 . 1 1 A 75 75 GLU C C 75 173.866 177.096 -3.230 2
1 666 . 1 1 A 75 75 GLU HA H 75 4.206 4.519 -0.313 2
1 671 . 1 1 A 76 76 CYS H H 76 7.727 7.679 0.048 2
1 672 . 1 1 A 76 76 CYS N N 76 113.800 117.243 -3.443 2
1 673 . 1 1 A 76 76 CYS CA C 76 55.635 59.900 -4.265 2
1 674 . 1 1 A 76 76 CYS CB C 76 26.036 27.385 -1.349 2
1 675 . 1 1 A 76 76 CYS C C 76 170.849 174.254 -3.405 2
1 676 . 1 1 A 76 76 CYS HA H 76 5.426 4.024 1.402 2
1 679 . 1 1 A 77 77 LEU H H 77 6.241 7.115 -0.874 2
1 680 . 1 1 A 77 77 LEU N N 77 118.069 121.116 -3.047 2
1 681 . 1 1 A 77 77 LEU CA C 77 51.793 54.184 -2.390 2
1 682 . 1 1 A 77 77 LEU CB C 77 42.123 42.437 -0.314 2
1 683 . 1 1 A 77 77 LEU C C 77 173.882 175.917 -2.035 2
1 684 . 1 1 A 77 77 LEU HA H 77 4.555 3.979 0.576 2
1 694 . 1 1 A 78 78 PHE H H 78 9.067 8.529 0.538 2
1 695 . 1 1 A 78 78 PHE N N 78 122.377 121.535 0.842 2
1 696 . 1 1 A 78 78 PHE CA C 78 54.917 56.356 -1.439 2
1 697 . 1 1 A 78 78 PHE CB C 78 40.597 43.815 -3.218 2
1 698 . 1 1 A 78 78 PHE C C 78 171.853 174.622 -2.769 2
1 699 . 1 1 A 78 78 PHE HA H 78 5.169 5.104 0.065 2
1 702 . 1 1 A 79 79 LEU H H 79 9.958 9.006 0.952 2
1 703 . 1 1 A 79 79 LEU N N 79 122.126 123.147 -1.021 2
1 704 . 1 1 A 79 79 LEU CA C 79 51.232 54.377 -3.146 2
1 705 . 1 1 A 79 79 LEU CB C 79 38.511 44.398 -5.887 2
1 706 . 1 1 A 79 79 LEU C C 79 173.055 175.635 -2.580 2
1 707 . 1 1 A 79 79 LEU HA H 79 4.686 5.060 -0.374 2
1 713 . 1 1 A 80 80 GLU H H 80 8.347 9.114 -0.767 2
1 714 . 1 1 A 80 80 GLU N N 80 126.300 127.678 -1.379 2
1 715 . 1 1 A 80 80 GLU CA C 80 52.558 55.286 -2.728 2
1 716 . 1 1 A 80 80 GLU CB C 80 30.892 31.506 -0.614 2
1 717 . 1 1 A 80 80 GLU C C 80 173.355 175.176 -1.821 2
1 718 . 1 1 A 80 80 GLU HA H 80 4.832 5.044 -0.212 2
1 721 . 1 1 A 81 81 ARG H H 81 8.840 8.838 0.002 2
1 722 . 1 1 A 81 81 ARG N N 81 129.522 128.460 1.062 2
1 723 . 1 1 A 81 81 ARG CA C 81 52.288 54.625 -2.337 2
1 724 . 1 1 A 81 81 ARG CB C 81 38.588 33.217 5.371 2
1 725 . 1 1 A 81 81 ARG C C 81 172.258 174.671 -2.413 2
1 726 . 1 1 A 81 81 ARG HA H 81 4.659 4.939 -0.280 2
1 732 . 1 1 A 82 82 LEU H H 82 8.347 8.875 -0.528 2
1 733 . 1 1 A 82 82 LEU N N 82 125.700 126.290 -0.590 2
1 734 . 1 1 A 82 82 LEU CA C 82 52.631 53.721 -1.090 2
1 735 . 1 1 A 82 82 LEU CB C 82 40.304 42.923 -2.619 2
1 736 . 1 1 A 82 82 LEU C C 82 174.567 175.774 -1.207 2
1 737 . 1 1 A 82 82 LEU HA H 82 4.875 4.881 -0.006 2
1 744 . 1 1 A 83 83 GLU H H 83 9.064 8.676 0.388 2
1 745 . 1 1 A 83 83 GLU N N 83 125.600 124.721 0.879 2
1 746 . 1 1 A 83 83 GLU CA C 83 51.723 55.828 -4.105 2
1 747 . 1 1 A 83 83 GLU CB C 83 43.703 31.011 12.692 2
1 748 . 1 1 A 83 83 GLU C C 83 174.885 176.505 -1.620 2
1 749 . 1 1 A 83 83 GLU HA H 83 4.974 4.618 0.356 2
1 752 . 1 1 A 84 84 GLU H H 84 8.806 8.850 -0.044 2
1 753 . 1 1 A 84 84 GLU N N 84 120.300 124.077 -3.777 2
1 754 . 1 1 A 84 84 GLU CA C 84 55.553 56.385 -0.832 2
1 755 . 1 1 A 84 84 GLU CB C 84 27.117 30.217 -3.100 2
1 756 . 1 1 A 84 84 GLU C C 84 174.261 176.486 -2.225 2
1 757 . 1 1 A 84 84 GLU HA H 84 4.112 4.410 -0.298 2
1 761 . 1 1 A 85 85 ASN H H 85 8.429 8.267 0.162 2
1 762 . 1 1 A 85 85 ASN N N 85 114.800 118.507 -3.707 2
1 763 . 1 1 A 85 85 ASN CA C 85 51.788 53.225 -1.437 2
1 764 . 1 1 A 85 85 ASN CB C 85 35.301 37.966 -2.665 2
1 765 . 1 1 A 85 85 ASN C C 85 172.203 174.507 -2.304 2
1 766 . 1 1 A 85 85 ASN HA H 85 4.343 4.692 -0.349 2
1 769 . 1 1 A 86 86 HIS H H 86 8.081 7.913 0.168 2
1 770 . 1 1 A 86 86 HIS N N 86 108.737 114.550 -5.813 2
1 771 . 1 1 A 86 86 HIS CA C 86 55.255 56.719 -1.464 2
1 772 . 1 1 A 86 86 HIS CB C 86 24.858 28.605 -3.747 2
1 773 . 1 1 A 86 86 HIS C C 86 171.039 173.782 -2.743 2
1 774 . 1 1 A 86 86 HIS HA H 86 4.260 4.285 -0.025 2
1 777 . 1 1 A 87 87 TYR H H 87 7.592 7.652 -0.061 2
1 778 . 1 1 A 87 87 TYR N N 87 117.738 117.137 0.601 2
1 779 . 1 1 A 87 87 TYR CA C 87 56.163 56.742 -0.579 2
1 780 . 1 1 A 87 87 TYR CB C 87 38.643 41.772 -3.129 2
1 781 . 1 1 A 87 87 TYR C C 87 171.983 174.437 -2.454 2
1 782 . 1 1 A 87 87 TYR HA H 87 4.836 4.950 -0.114 2
1 784 . 1 1 A 88 88 ASN H H 88 9.840 9.031 0.809 2
1 785 . 1 1 A 88 88 ASN N N 88 118.891 120.137 -1.246 2
1 786 . 1 1 A 88 88 ASN CA C 88 50.063 52.154 -2.091 2
1 787 . 1 1 A 88 88 ASN CB C 88 40.242 40.940 -0.698 2
1 788 . 1 1 A 88 88 ASN C C 88 172.471 174.341 -1.870 2
1 789 . 1 1 A 88 88 ASN HA H 88 5.837 5.449 0.388 2
1 795 . 1 1 A 89 89 THR H H 89 8.380 8.684 -0.304 2
1 796 . 1 1 A 89 89 THR N N 89 108.521 116.689 -8.168 2
1 797 . 1 1 A 89 89 THR CA C 89 57.357 60.276 -2.919 2
1 798 . 1 1 A 89 89 THR CB C 89 70.868 72.552 -1.684 2
1 799 . 1 1 A 89 89 THR C C 89 170.548 172.499 -1.951 2
1 800 . 1 1 A 89 89 THR HA H 89 5.127 5.239 -0.113 2
1 805 . 1 1 A 90 90 TYR H H 90 10.247 9.044 1.203 2
1 806 . 1 1 A 90 90 TYR N N 90 119.000 121.984 -2.984 2
1 807 . 1 1 A 90 90 TYR CA C 90 55.106 56.201 -1.095 2
1 808 . 1 1 A 90 90 TYR CB C 90 39.047 42.321 -3.274 2
1 809 . 1 1 A 90 90 TYR C C 90 172.442 174.716 -2.274 2
1 810 . 1 1 A 90 90 TYR HA H 90 5.472 5.358 0.114 2
1 812 . 1 1 A 91 91 ILE H H 91 8.781 9.468 -0.687 2
1 813 . 1 1 A 91 91 ILE N N 91 122.546 123.660 -1.114 2
1 814 . 1 1 A 91 91 ILE CA C 91 56.346 59.648 -3.302 2
1 815 . 1 1 A 91 91 ILE CB C 91 36.627 40.739 -4.112 2
1 816 . 1 1 A 91 91 ILE C C 91 172.924 174.947 -2.023 2
1 817 . 1 1 A 91 91 ILE HA H 91 4.673 4.860 -0.187 2
1 826 . 1 1 A 92 92 SER H H 92 8.191 8.538 -0.347 2
1 827 . 1 1 A 92 92 SER N N 92 120.200 120.805 -0.605 2
1 828 . 1 1 A 92 92 SER CA C 92 55.781 57.465 -1.684 2
1 829 . 1 1 A 92 92 SER CB C 92 62.382 63.073 -0.691 2
1 830 . 1 1 A 92 92 SER C C 92 172.863 174.941 -2.078 2
1 831 . 1 1 A 92 92 SER HA H 92 4.016 4.992 -0.976 2
1 833 . 1 1 A 93 93 LYS H H 93 7.993 8.833 -0.840 2
1 834 . 1 1 A 93 93 LYS N N 93 130.618 126.623 3.995 2
1 835 . 1 1 A 93 93 LYS CA C 93 57.942 58.464 -0.522 2
1 836 . 1 1 A 93 93 LYS CB C 93 30.889 32.311 -1.422 2
1 837 . 1 1 A 93 93 LYS C C 93 176.938 178.139 -1.201 2
1 838 . 1 1 A 93 93 LYS HA H 93 3.779 4.241 -0.462 2
1 844 . 1 1 A 94 94 LYS H H 94 8.616 7.924 0.692 2
1 845 . 1 1 A 94 94 LYS N N 94 120.044 120.007 0.037 2
1 846 . 1 1 A 94 94 LYS CA C 94 55.868 59.001 -3.133 2
1 847 . 1 1 A 94 94 LYS CB C 94 30.329 32.647 -2.318 2
1 848 . 1 1 A 94 94 LYS C C 94 174.491 178.033 -3.542 2
1 849 . 1 1 A 94 94 LYS HA H 94 3.851 4.083 -0.232 2
1 856 . 1 1 A 95 95 HIS H H 95 7.249 8.301 -1.052 2
1 857 . 1 1 A 95 95 HIS N N 95 114.486 116.462 -1.976 2
1 858 . 1 1 A 95 95 HIS CA C 95 51.180 54.936 -3.756 2
1 859 . 1 1 A 95 95 HIS CB C 95 26.844 28.627 -1.783 2
1 860 . 1 1 A 95 95 HIS C C 95 173.734 175.806 -2.072 2
1 861 . 1 1 A 95 95 HIS HA H 95 4.604 4.776 -0.172 2
1 864 . 1 1 A 96 96 ALA H H 96 7.104 7.823 -0.719 2
1 865 . 1 1 A 96 96 ALA N N 96 125.204 123.790 1.414 2
1 866 . 1 1 A 96 96 ALA CA C 96 53.758 55.361 -1.603 2
1 867 . 1 1 A 96 96 ALA CB C 96 16.578 18.515 -1.937 2
1 868 . 1 1 A 96 96 ALA C C 96 178.508 179.712 -1.204 2
1 869 . 1 1 A 96 96 ALA HA H 96 4.131 3.957 0.174 2
1 873 . 1 1 A 97 97 GLU H H 97 8.857 8.262 0.595 2
1 874 . 1 1 A 97 97 GLU N N 97 118.007 117.651 0.356 2
1 875 . 1 1 A 97 97 GLU CA C 97 56.153 58.906 -2.753 2
1 876 . 1 1 A 97 97 GLU CB C 97 26.241 29.121 -2.880 2
1 877 . 1 1 A 97 97 GLU C C 97 174.813 177.814 -3.001 2
1 878 . 1 1 A 97 97 GLU HA H 97 4.063 4.062 0.001 2
1 882 . 1 1 A 98 98 LYS H H 98 7.116 7.620 -0.504 2
1 883 . 1 1 A 98 98 LYS N N 98 116.241 117.885 -1.644 2
1 884 . 1 1 A 98 98 LYS CA C 98 52.852 56.120 -3.268 2
1 885 . 1 1 A 98 98 LYS CB C 98 29.959 32.481 -2.522 2
1 886 . 1 1 A 98 98 LYS C C 98 173.361 176.079 -2.718 2
1 887 . 1 1 A 98 98 LYS HA H 98 4.280 4.344 -0.064 2
1 893 . 1 1 A 99 99 ASN H H 99 7.842 8.104 -0.262 2
1 894 . 1 1 A 99 99 ASN N N 99 113.000 115.790 -2.790 2
1 895 . 1 1 A 99 99 ASN CA C 99 52.240 54.595 -2.355 2
1 896 . 1 1 A 99 99 ASN CB C 99 35.289 37.539 -2.250 2
1 897 . 1 1 A 99 99 ASN C C 99 170.506 174.490 -3.984 2
1 898 . 1 1 A 99 99 ASN HA H 99 3.772 4.307 -0.535 2
1 904 . 1 1 A 100 100 TRP H H 100 6.369 7.666 -1.297 2
1 905 . 1 1 A 100 100 TRP N N 100 116.000 120.395 -4.395 2
1 906 . 1 1 A 100 100 TRP CA C 100 53.179 57.738 -4.559 2
1 907 . 1 1 A 100 100 TRP CB C 100 28.228 30.367 -2.139 2
1 908 . 1 1 A 100 100 TRP C C 100 171.701 175.974 -4.273 2
1 909 . 1 1 A 100 100 TRP HA H 100 4.816 4.751 0.065 2
1 912 . 1 1 A 101 101 PHE H H 101 8.026 9.045 -1.019 2
1 913 . 1 1 A 101 101 PHE N N 101 124.185 121.033 3.152 2
1 914 . 1 1 A 101 101 PHE CA C 101 55.472 56.767 -1.296 2
1 915 . 1 1 A 101 101 PHE CB C 101 39.220 41.709 -2.489 2
1 916 . 1 1 A 101 101 PHE C C 101 175.044 175.156 -0.112 2
1 917 . 1 1 A 101 101 PHE HA H 101 5.373 5.179 0.194 2
1 920 . 1 1 A 102 102 VAL H H 102 8.499 8.707 -0.208 2
1 921 . 1 1 A 102 102 VAL N N 102 120.282 122.411 -2.129 2
1 922 . 1 1 A 102 102 VAL CA C 102 60.975 61.160 -0.185 2
1 923 . 1 1 A 102 102 VAL CB C 102 30.243 32.171 -1.928 2
1 924 . 1 1 A 102 102 VAL C C 102 174.220 175.385 -1.165 2
1 925 . 1 1 A 102 102 VAL HA H 102 3.939 4.561 -0.622 2
1 930 . 1 1 A 103 103 GLY H H 103 8.996 8.735 0.261 2
1 931 . 1 1 A 103 103 GLY N N 103 114.668 115.199 -0.531 2
1 932 . 1 1 A 103 103 GLY CA C 103 43.802 44.410 -0.608 2
1 933 . 1 1 A 103 103 GLY C C 103 169.388 172.471 -3.083 2
1 934 . 1 1 A 103 103 GLY HA2 H 103 5.275 4.413 0.862 2
1 935 . 1 1 A 103 103 GLY HA3 H 103 3.180 4.675 -1.495 2
1 936 . 1 1 A 104 104 LEU H H 104 8.118 8.530 -0.412 2
1 937 . 1 1 A 104 104 LEU N N 104 119.100 121.266 -2.167 2
1 938 . 1 1 A 104 104 LEU CA C 104 51.207 52.858 -1.651 2
1 939 . 1 1 A 104 104 LEU CB C 104 43.579 45.710 -2.131 2
1 940 . 1 1 A 104 104 LEU C C 104 174.252 174.744 -0.492 2
1 941 . 1 1 A 104 104 LEU HA H 104 4.959 5.139 -0.180 2
1 950 . 1 1 A 105 105 LYS H H 105 8.847 8.489 0.358 2
1 951 . 1 1 A 105 105 LYS N N 105 118.900 123.226 -4.326 2
1 952 . 1 1 A 105 105 LYS CA C 105 54.035 55.259 -1.224 2
1 953 . 1 1 A 105 105 LYS C C 105 176.404 176.689 -0.285 2
1 954 . 1 1 A 105 105 LYS HA H 105 4.215 4.486 -0.271 2
1 960 . 1 1 A 106 106 LYS H H 106 8.980 8.469 0.511 2
1 961 . 1 1 A 106 106 LYS N N 106 122.172 124.841 -2.669 2
1 962 . 1 1 A 106 106 LYS CA C 106 57.672 58.714 -1.042 2
1 963 . 1 1 A 106 106 LYS CB C 106 29.780 31.951 -2.171 2
1 964 . 1 1 A 106 106 LYS C C 106 174.499 178.492 -3.993 2
1 965 . 1 1 A 106 106 LYS HA H 106 3.624 4.030 -0.406 2
1 970 . 1 1 A 107 107 ASN H H 107 7.352 7.972 -0.620 2
1 971 . 1 1 A 107 107 ASN N N 107 112.743 118.195 -5.452 2
1 972 . 1 1 A 107 107 ASN CA C 107 49.523 54.993 -5.470 2
1 973 . 1 1 A 107 107 ASN CB C 107 35.121 37.929 -2.808 2
1 974 . 1 1 A 107 107 ASN C C 107 174.511 176.476 -1.965 2
1 975 . 1 1 A 107 107 ASN HA H 107 4.678 4.481 0.197 2
1 978 . 1 1 A 108 108 GLY H H 108 7.656 7.809 -0.153 2
1 979 . 1 1 A 108 108 GLY N N 108 109.900 107.873 2.027 2
1 980 . 1 1 A 108 108 GLY CA C 108 42.207 45.770 -3.563 2
1 981 . 1 1 A 108 108 GLY C C 108 169.305 173.863 -4.558 2
1 982 . 1 1 A 108 108 GLY HA3 H 108 3.358 4.031 -0.673 2
1 983 . 1 1 A 108 108 GLY HA2 H 108 2.111 3.985 -1.874 2
1 984 . 1 1 A 109 109 SER H H 109 7.280 7.903 -0.623 2
1 985 . 1 1 A 109 109 SER N N 109 112.357 111.331 1.026 2
1 986 . 1 1 A 109 109 SER CA C 109 55.139 57.394 -2.255 2
1 987 . 1 1 A 109 109 SER CB C 109 62.749 65.892 -3.143 2
1 988 . 1 1 A 109 109 SER C C 109 171.244 172.447 -1.203 2
1 989 . 1 1 A 109 109 SER HA H 109 4.755 4.908 -0.153 2
1 992 . 1 1 A 110 110 CYS H H 110 9.070 8.563 0.507 2
1 993 . 1 1 A 110 110 CYS N N 110 119.883 121.550 -1.667 2
1 994 . 1 1 A 110 110 CYS CA C 110 57.858 57.964 -0.106 2
1 995 . 1 1 A 110 110 CYS CB C 110 37.322 28.310 9.012 2
1 996 . 1 1 A 110 110 CYS C C 110 172.131 174.034 -1.903 2
1 997 . 1 1 A 110 110 CYS HA H 110 4.296 4.859 -0.563 2
1 1000 . 1 1 A 111 111 LYS H H 111 8.095 8.772 -0.677 2
1 1001 . 1 1 A 111 111 LYS N N 111 128.642 124.385 4.257 2
1 1002 . 1 1 A 111 111 LYS CA C 111 52.117 55.026 -2.909 2
1 1003 . 1 1 A 111 111 LYS CB C 111 30.980 34.550 -3.570 2
1 1004 . 1 1 A 111 111 LYS C C 111 172.265 175.484 -3.219 2
1 1005 . 1 1 A 111 111 LYS HA H 111 4.380 5.001 -0.621 2
1 1010 . 1 1 A 112 112 ARG H H 112 8.566 8.696 -0.130 2
1 1011 . 1 1 A 112 112 ARG N N 112 124.700 123.987 0.713 2
1 1012 . 1 1 A 112 112 ARG CA C 112 54.295 54.610 -0.315 2
1 1013 . 1 1 A 112 112 ARG CB C 112 28.927 31.601 -2.674 2
1 1014 . 1 1 A 112 112 ARG C C 112 175.240 176.376 -1.136 2
1 1015 . 1 1 A 112 112 ARG HA H 112 4.252 4.740 -0.488 2
1 1021 . 1 1 A 113 113 GLY H H 113 9.408 8.771 0.637 2
1 1022 . 1 1 A 113 113 GLY N N 113 106.636 111.687 -5.051 2
1 1023 . 1 1 A 113 113 GLY CA C 113 44.552 46.733 -2.181 2
1 1024 . 1 1 A 113 113 GLY C C 113 169.610 174.575 -4.965 2
1 1025 . 1 1 A 113 113 GLY HA2 H 113 1.510 3.501 -1.991 2
1 1026 . 1 1 A 114 114 PRO CA C 114 62.529 64.854 -2.325 2
1 1027 . 1 1 A 114 114 PRO C C 114 174.543 177.082 -2.539 2
1 1028 . 1 1 A 114 114 PRO HA H 114 4.321 4.211 0.110 2
1 1033 . 1 1 A 115 115 ARG H H 115 8.067 8.002 0.065 2
1 1034 . 1 1 A 115 115 ARG N N 115 114.500 116.644 -2.144 2
1 1035 . 1 1 A 115 115 ARG CA C 115 52.011 55.789 -3.778 2
1 1036 . 1 1 A 115 115 ARG CB C 115 27.143 31.162 -4.019 2
1 1037 . 1 1 A 115 115 ARG C C 115 174.680 175.675 -0.995 2
1 1038 . 1 1 A 115 115 ARG HA H 115 4.508 4.361 0.147 2
1 1043 . 1 1 A 116 116 THR H H 116 7.643 7.273 0.370 2
1 1044 . 1 1 A 116 116 THR N N 116 111.716 111.525 0.190 2
1 1045 . 1 1 A 116 116 THR CA C 116 58.712 61.498 -2.786 2
1 1046 . 1 1 A 116 116 THR CB C 116 70.086 69.614 0.472 2
1 1047 . 1 1 A 116 116 THR C C 116 172.573 173.899 -1.326 2
1 1048 . 1 1 A 116 116 THR HA H 116 5.198 4.397 0.801 2
1 1053 . 1 1 A 117 117 HIS H H 117 7.091 8.240 -1.149 2
1 1054 . 1 1 A 117 117 HIS N N 117 112.914 120.711 -7.797 2
1 1055 . 1 1 A 117 117 HIS CA C 117 53.291 54.852 -1.561 2
1 1056 . 1 1 A 117 117 HIS CB C 117 29.133 31.638 -2.505 2
1 1057 . 1 1 A 117 117 HIS C C 117 170.344 171.940 -1.596 2
1 1058 . 1 1 A 117 117 HIS HA H 117 4.868 4.093 0.775 2
1 1061 . 1 1 A 118 118 TYR H H 118 9.020 8.520 0.500 2
1 1062 . 1 1 A 118 118 TYR N N 118 123.051 120.803 2.248 2
1 1063 . 1 1 A 118 118 TYR CA C 118 58.801 56.512 2.289 2
1 1064 . 1 1 A 118 118 TYR CB C 118 29.959 37.471 -7.512 2
1 1065 . 1 1 A 118 118 TYR C C 118 174.446 175.342 -0.896 2
1 1066 . 1 1 A 118 118 TYR HA H 118 3.897 4.482 -0.585 2
1 1069 . 1 1 A 119 119 GLY H H 119 7.999 8.746 -0.747 2
1 1070 . 1 1 A 119 119 GLY N N 119 116.885 112.646 4.239 2
1 1071 . 1 1 A 119 119 GLY CA C 119 42.599 45.794 -3.195 2
1 1072 . 1 1 A 119 119 GLY C C 119 172.439 173.632 -1.193 2
1 1073 . 1 1 A 119 119 GLY HA3 H 119 4.385 3.906 0.479 2
1 1074 . 1 1 A 119 119 GLY HA2 H 119 3.296 3.792 -0.496 2
1 1075 . 1 1 A 120 120 GLN H H 120 7.003 7.479 -0.476 2
1 1076 . 1 1 A 120 120 GLN N N 120 118.266 118.193 0.073 2
1 1077 . 1 1 A 120 120 GLN CA C 120 52.617 53.853 -1.236 2
1 1078 . 1 1 A 120 120 GLN CB C 120 27.324 32.276 -4.952 2
1 1079 . 1 1 A 120 120 GLN C C 120 174.995 175.423 -0.428 2
1 1080 . 1 1 A 120 120 GLN HA H 120 4.262 4.642 -0.380 2
1 1083 . 1 1 A 121 121 LYS H H 121 8.477 8.621 -0.145 2
1 1084 . 1 1 A 121 121 LYS N N 121 121.222 123.747 -2.525 2
1 1085 . 1 1 A 121 121 LYS CA C 121 56.243 56.958 -0.715 2
1 1086 . 1 1 A 121 121 LYS CB C 121 29.598 31.954 -2.356 2
1 1087 . 1 1 A 121 121 LYS C C 121 172.702 177.218 -4.516 2
1 1088 . 1 1 A 121 121 LYS HA H 121 3.809 4.192 -0.383 2
1 1093 . 1 1 A 122 122 ALA H H 122 7.526 7.620 -0.094 2
1 1094 . 1 1 A 122 122 ALA N N 122 116.019 121.963 -5.944 2
1 1095 . 1 1 A 122 122 ALA CA C 122 52.338 53.429 -1.091 2
1 1096 . 1 1 A 122 122 ALA CB C 122 18.675 18.396 0.279 2
1 1097 . 1 1 A 122 122 ALA C C 122 172.756 177.599 -4.843 2
1 1098 . 1 1 A 122 122 ALA HA H 122 3.947 4.148 -0.201 2
1 1102 . 1 1 A 123 123 ILE H H 123 5.794 7.184 -1.390 2
1 1103 . 1 1 A 123 123 ILE N N 123 101.200 114.765 -13.565 2
1 1104 . 1 1 A 123 123 ILE CA C 123 57.297 60.928 -3.631 2
1 1105 . 1 1 A 123 123 ILE CB C 123 35.425 37.602 -2.176 2
1 1106 . 1 1 A 123 123 ILE C C 123 172.790 175.092 -2.302 2
1 1107 . 1 1 A 123 123 ILE HA H 123 5.184 4.100 1.084 2
1 1116 . 1 1 A 124 124 LEU H H 124 6.716 7.082 -0.366 2
1 1117 . 1 1 A 124 124 LEU N N 124 121.554 123.281 -1.727 2
1 1118 . 1 1 A 124 124 LEU CA C 124 51.686 53.298 -1.612 2
1 1119 . 1 1 A 124 124 LEU CB C 124 39.622 41.806 -2.184 2
1 1120 . 1 1 A 124 124 LEU C C 124 173.411 175.082 -1.671 2
1 1121 . 1 1 A 124 124 LEU HA H 124 4.597 4.346 0.251 2
1 1130 . 1 1 A 125 125 PHE H H 125 9.226 9.004 0.222 2
1 1131 . 1 1 A 125 125 PHE N N 125 121.900 124.247 -2.347 2
1 1132 . 1 1 A 125 125 PHE CA C 125 54.604 56.649 -2.045 2
1 1133 . 1 1 A 125 125 PHE CB C 125 41.692 41.721 -0.029 2
1 1134 . 1 1 A 125 125 PHE C C 125 172.768 174.767 -1.999 2
1 1135 . 1 1 A 125 125 PHE HA H 125 5.612 5.178 0.434 2
1 1138 . 1 1 A 126 126 LEU H H 126 9.932 8.947 0.985 2
1 1139 . 1 1 A 126 126 LEU N N 126 125.427 122.938 2.489 2
1 1140 . 1 1 A 126 126 LEU CA C 126 48.875 51.312 -2.437 2
1 1141 . 1 1 A 127 127 PRO CA C 127 58.907 62.195 -3.288 2
1 1142 . 1 1 A 127 127 PRO CB C 127 28.730 31.851 -3.121 2
1 1143 . 1 1 A 127 127 PRO C C 127 174.541 176.113 -1.572 2
1 1144 . 1 1 A 127 127 PRO HA H 127 5.587 5.274 0.313 2
1 1147 . 1 1 A 128 128 LEU H H 128 9.674 8.431 1.243 2
1 1148 . 1 1 A 128 128 LEU N N 128 129.196 123.861 5.335 2
1 1149 . 1 1 A 128 128 LEU CA C 128 49.523 51.767 -2.244 2
1 1150 . 1 1 A 128 128 LEU C C 128 175.960 175.401 0.559 2
1 1151 . 1 1 A 129 129 PRO CA C 129 60.043 62.243 -2.200 2
1 1152 . 1 1 A 129 129 PRO CB C 129 29.800 32.392 -2.591 2
1 1153 . 1 1 A 129 129 PRO C C 129 174.414 176.452 -2.038 2
1 1154 . 1 1 A 129 129 PRO HA H 129 4.710 4.804 -0.094 2
1 1160 . 1 1 A 130 130 VAL H H 130 7.992 8.295 -0.303 2
1 1161 . 1 1 A 130 130 VAL N N 130 118.275 121.184 -2.909 2
1 1162 . 1 1 A 130 130 VAL CA C 130 61.494 62.230 -0.736 2
1 1163 . 1 1 A 130 130 VAL CB C 130 29.649 32.281 -2.632 2
1 1164 . 1 1 A 130 130 VAL C C 130 174.097 175.971 -1.874 2
1 1165 . 1 1 A 130 130 VAL HA H 130 3.794 4.181 -0.387 2
1 1173 . 1 1 A 131 131 SER H H 131 7.844 8.666 -0.822 2
1 1174 . 1 1 A 131 131 SER N N 131 115.853 122.614 -6.761 2
1 1175 . 1 1 A 131 131 SER CA C 131 55.233 57.759 -2.526 2
1 1176 . 1 1 A 131 131 SER CB C 131 61.375 64.387 -3.012 2
1 1177 . 1 1 A 131 131 SER C C 131 173.574 173.837 -0.263 2
1 1178 . 1 1 A 131 131 SER HA H 131 4.218 4.923 -0.705 2
1 1181 . 1 1 A 132 132 SER H H 132 8.196 8.834 -0.638 2
1 1182 . 1 1 A 132 132 SER N N 132 118.100 121.121 -3.021 2
1 1183 . 1 1 A 132 132 SER CA C 132 56.021 57.647 -1.626 2
1 1184 . 1 1 A 132 132 SER CB C 132 61.848 62.975 -1.127 2
1 1185 . 1 1 A 132 132 SER C C 132 170.997 172.856 -1.859 2
1 1186 . 1 1 A 132 132 SER HA H 132 4.484 4.876 -0.392 2
stop_
save_