data_15995_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15995
_Entry.PDB_ID 2K9P
_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 3 . 1 1 1 A 2 2 ASN HA H 32 4.710 5.153 -0.443 1
1 6 . 1 1 1 A 2 2 ASN CA C 32 50.800 51.945 -1.145 1
1 7 . 1 1 1 A 2 2 ASN CB C 32 36.400 40.914 -4.514 1
1 8 . 1 1 1 A 3 3 GLY H H 33 8.470 8.450 0.020 1
1 9 . 1 1 1 A 3 3 GLY HA2 H 33 3.890 4.048 -0.158 1
1 10 . 1 1 1 A 3 3 GLY HA3 H 33 3.990 4.049 -0.059 1
1 11 . 1 1 1 A 3 3 GLY C C 33 171.500 172.849 -1.349 1
1 12 . 1 1 1 A 3 3 GLY CA C 33 42.900 45.368 -2.468 1
1 13 . 1 1 1 A 3 3 GLY N N 33 109.300 108.697 0.603 1
1 14 . 1 1 1 A 4 4 SER H H 34 8.020 8.471 -0.451 1
1 15 . 1 1 1 A 4 4 SER HA H 34 4.480 5.193 -0.713 1
1 17 . 1 1 1 A 4 4 SER C C 34 171.700 174.370 -2.670 1
1 18 . 1 1 1 A 4 4 SER CA C 34 55.600 57.227 -1.627 1
1 19 . 1 1 1 A 4 4 SER CB C 34 61.400 65.326 -3.926 1
1 20 . 1 1 1 A 4 4 SER N N 34 115.200 113.213 1.987 1
1 21 . 1 1 1 A 5 5 THR H H 35 8.030 8.714 -0.684 1
1 22 . 1 1 1 A 5 5 THR HA H 35 4.300 4.421 -0.121 1
1 27 . 1 1 1 A 5 5 THR C C 35 171.400 174.715 -3.315 1
1 28 . 1 1 1 A 5 5 THR CA C 35 59.500 62.697 -3.197 1
1 29 . 1 1 1 A 5 5 THR CB C 35 67.200 68.995 -1.795 1
1 31 . 1 1 1 A 5 5 THR N N 35 115.600 120.938 -5.338 1
1 32 . 1 1 1 A 6 6 ILE H H 36 7.850 7.279 0.571 1
1 33 . 1 1 1 A 6 6 ILE HA H 36 4.260 4.052 0.208 1
1 43 . 1 1 1 A 6 6 ILE C C 36 171.900 175.776 -3.876 1
1 44 . 1 1 1 A 6 6 ILE CA C 36 58.200 60.999 -2.799 1
1 45 . 1 1 1 A 6 6 ILE CB C 36 36.500 38.210 -1.710 1
1 49 . 1 1 1 A 6 6 ILE N N 36 122.000 123.582 -1.582 1
1 50 . 1 1 1 A 7 7 THR H H 37 7.680 8.192 -0.512 1
1 51 . 1 1 1 A 7 7 THR HA H 37 4.570 4.192 0.378 1
1 56 . 1 1 1 A 7 7 THR C C 37 172.800 176.169 -3.369 1
1 57 . 1 1 1 A 7 7 THR CA C 37 57.400 61.630 -4.230 1
1 58 . 1 1 1 A 7 7 THR CB C 37 68.700 70.602 -1.902 1
1 60 . 1 1 1 A 7 7 THR N N 37 114.700 117.104 -2.404 1
1 61 . 1 1 1 A 8 8 PHE H H 38 8.830 8.621 0.209 1
1 62 . 1 1 1 A 8 8 PHE HA H 38 4.250 4.272 -0.022 1
1 67 . 1 1 1 A 8 8 PHE C C 38 174.700 177.739 -3.039 1
1 68 . 1 1 1 A 8 8 PHE CA C 38 58.400 61.358 -2.958 1
1 69 . 1 1 1 A 8 8 PHE CB C 38 36.000 38.537 -2.537 1
1 73 . 1 1 1 A 8 8 PHE N N 38 120.900 122.679 -1.779 1
1 74 . 1 1 1 A 9 9 ASP H H 39 8.400 8.381 0.019 1
1 75 . 1 1 1 A 9 9 ASP HA H 39 4.280 4.283 -0.003 1
1 77 . 1 1 1 A 9 9 ASP C C 39 176.100 178.954 -2.854 1
1 78 . 1 1 1 A 9 9 ASP CA C 39 54.500 57.358 -2.858 1
1 79 . 1 1 1 A 9 9 ASP CB C 39 37.800 40.253 -2.453 1
1 80 . 1 1 1 A 9 9 ASP N N 39 117.400 120.603 -3.203 1
1 81 . 1 1 1 A 10 10 GLU H H 40 7.740 7.903 -0.163 1
1 82 . 1 1 1 A 10 10 GLU HA H 40 4.090 4.068 0.022 1
1 86 . 1 1 1 A 10 10 GLU C C 40 176.100 179.367 -3.267 1
1 87 . 1 1 1 A 10 10 GLU CA C 40 55.700 59.343 -3.643 1
1 88 . 1 1 1 A 10 10 GLU CB C 40 26.800 29.358 -2.558 1
1 90 . 1 1 1 A 10 10 GLU N N 40 118.800 119.161 -0.361 1
1 91 . 1 1 1 A 11 11 LEU H H 41 7.770 8.082 -0.312 1
1 92 . 1 1 1 A 11 11 LEU HA H 41 4.040 4.002 0.038 1
1 102 . 1 1 1 A 11 11 LEU C C 41 175.500 179.538 -4.038 1
1 103 . 1 1 1 A 11 11 LEU CA C 41 54.600 58.128 -3.528 1
1 104 . 1 1 1 A 11 11 LEU CB C 41 39.200 41.226 -2.026 1
1 108 . 1 1 1 A 11 11 LEU N N 41 119.500 120.112 -0.612 1
1 109 . 1 1 1 A 12 12 GLN H H 42 8.070 8.739 -0.669 1
1 110 . 1 1 1 A 12 12 GLN HA H 42 3.770 4.089 -0.319 1
1 114 . 1 1 1 A 12 12 GLN C C 42 175.400 179.716 -4.316 1
1 115 . 1 1 1 A 12 12 GLN CA C 42 56.500 58.890 -2.390 1
1 116 . 1 1 1 A 12 12 GLN CB C 42 25.800 28.406 -2.606 1
1 118 . 1 1 1 A 12 12 GLN N N 42 116.800 116.507 0.293 1
1 119 . 1 1 1 A 13 13 GLY H H 43 7.810 8.495 -0.685 1
1 120 . 1 1 1 A 13 13 GLY HA2 H 43 3.850 3.348 0.502 1
1 121 . 1 1 1 A 13 13 GLY HA3 H 43 3.910 3.349 0.561 1
1 122 . 1 1 1 A 13 13 GLY C C 43 173.000 175.933 -2.933 1
1 123 . 1 1 1 A 13 13 GLY CA C 43 43.800 47.132 -3.332 1
1 124 . 1 1 1 A 13 13 GLY N N 43 105.400 109.803 -4.403 1
1 125 . 1 1 1 A 14 14 LEU H H 44 7.650 8.294 -0.644 1
1 126 . 1 1 1 A 14 14 LEU HA H 44 4.210 4.068 0.142 1
1 136 . 1 1 1 A 14 14 LEU C C 44 176.000 178.547 -2.547 1
1 137 . 1 1 1 A 14 14 LEU CA C 44 54.200 58.400 -4.200 1
1 138 . 1 1 1 A 14 14 LEU CB C 44 40.000 41.343 -1.343 1
1 142 . 1 1 1 A 14 14 LEU N N 44 120.900 121.426 -0.526 1
1 143 . 1 1 1 A 15 15 VAL H H 45 7.760 8.477 -0.717 1
1 144 . 1 1 1 A 15 15 VAL HA H 45 3.740 3.873 -0.133 1
1 152 . 1 1 1 A 15 15 VAL C C 45 173.100 177.168 -4.068 1
1 153 . 1 1 1 A 15 15 VAL CA C 45 61.800 64.779 -2.979 1
1 154 . 1 1 1 A 15 15 VAL CB C 45 29.100 31.656 -2.556 1
1 157 . 1 1 1 A 15 15 VAL N N 45 117.200 119.237 -2.037 1
1 158 . 1 1 1 A 16 16 ASN H H 46 7.820 7.797 0.023 1
1 159 . 1 1 1 A 16 16 ASN HA H 46 4.600 4.790 -0.190 1
1 161 . 1 1 1 A 16 16 ASN CA C 46 51.400 52.560 -1.160 1
1 162 . 1 1 1 A 16 16 ASN CB C 46 36.000 39.001 -3.001 1
1 163 . 1 1 1 A 16 16 ASN N N 46 118.400 119.131 -0.731 1
1 164 . 1 1 1 A 17 17 SER H H 47 8.160 7.929 0.231 1
1 165 . 1 1 1 A 17 17 SER HA H 47 4.380 4.642 -0.262 1
1 168 . 1 1 1 A 17 17 SER CA C 47 57.900 59.600 -1.700 1
1 169 . 1 1 1 A 17 17 SER CB C 47 61.000 65.635 -4.635 1
1 170 . 1 1 1 A 18 18 THR H H 48 8.130 8.171 -0.041 1
1 171 . 1 1 1 A 18 18 THR HA H 48 3.990 4.076 -0.086 1
1 176 . 1 1 1 A 18 18 THR C C 48 173.800 176.763 -2.963 1
1 177 . 1 1 1 A 18 18 THR CA C 48 63.500 65.762 -2.262 1
1 178 . 1 1 1 A 18 18 THR CB C 48 66.000 69.198 -3.198 1
1 180 . 1 1 1 A 18 18 THR N N 48 118.300 118.587 -0.287 1
1 181 . 1 1 1 A 19 19 VAL H H 49 8.100 8.518 -0.418 1
1 182 . 1 1 1 A 19 19 VAL HA H 49 3.640 3.593 0.047 1
1 190 . 1 1 1 A 19 19 VAL C C 49 174.700 178.109 -3.409 1
1 191 . 1 1 1 A 19 19 VAL CA C 49 64.000 66.948 -2.948 1
1 192 . 1 1 1 A 19 19 VAL CB C 49 29.000 31.787 -2.787 1
1 195 . 1 1 1 A 19 19 VAL N N 49 120.800 121.721 -0.921 1
1 196 . 1 1 1 A 20 20 THR H H 50 7.830 7.975 -0.145 1
1 197 . 1 1 1 A 20 20 THR HA H 50 3.740 3.848 -0.108 1
1 202 . 1 1 1 A 20 20 THR C C 50 173.800 176.953 -3.153 1
1 203 . 1 1 1 A 20 20 THR CA C 50 64.400 65.744 -1.344 1
1 204 . 1 1 1 A 20 20 THR CB C 50 65.500 69.013 -3.513 1
1 206 . 1 1 1 A 20 20 THR N N 50 114.000 114.315 -0.315 1
1 207 . 1 1 1 A 21 21 GLN H H 51 7.920 7.939 -0.019 1
1 208 . 1 1 1 A 21 21 GLN HA H 51 3.970 4.067 -0.097 1
1 211 . 1 1 1 A 21 21 GLN C C 51 175.900 177.791 -1.891 1
1 212 . 1 1 1 A 21 21 GLN CA C 51 56.300 58.554 -2.254 1
1 213 . 1 1 1 A 21 21 GLN CB C 51 25.700 28.680 -2.980 1
1 215 . 1 1 1 A 21 21 GLN N N 51 118.400 120.437 -2.037 1
1 216 . 1 1 1 A 22 22 ALA H H 52 7.960 7.986 -0.026 1
1 217 . 1 1 1 A 22 22 ALA HA H 52 4.160 4.185 -0.025 1
1 221 . 1 1 1 A 22 22 ALA C C 52 176.800 180.249 -3.449 1
1 222 . 1 1 1 A 22 22 ALA CA C 52 52.800 55.314 -2.514 1
1 223 . 1 1 1 A 22 22 ALA CB C 52 15.700 18.093 -2.393 1
1 224 . 1 1 1 A 22 22 ALA N N 52 122.200 121.889 0.311 1
1 225 . 1 1 1 A 23 23 ILE H H 53 8.100 7.769 0.331 1
1 226 . 1 1 1 A 23 23 ILE HA H 53 3.660 3.702 -0.042 1
1 236 . 1 1 1 A 23 23 ILE C C 53 175.300 178.291 -2.991 1
1 237 . 1 1 1 A 23 23 ILE CA C 53 62.700 65.252 -2.552 1
1 238 . 1 1 1 A 23 23 ILE CB C 53 35.100 38.173 -3.073 1
1 242 . 1 1 1 A 23 23 ILE N N 53 117.500 118.937 -1.437 1
1 243 . 1 1 1 A 24 24 LEU H H 54 8.160 8.022 0.138 1
1 244 . 1 1 1 A 24 24 LEU HA H 54 3.970 3.957 0.013 1
1 254 . 1 1 1 A 24 24 LEU C C 54 176.600 178.937 -2.337 1
1 255 . 1 1 1 A 24 24 LEU CA C 54 55.500 58.295 -2.795 1
1 256 . 1 1 1 A 24 24 LEU CB C 54 38.700 41.672 -2.972 1
1 260 . 1 1 1 A 24 24 LEU N N 54 118.900 118.749 0.151 1
1 261 . 1 1 1 A 25 25 PHE H H 55 8.200 8.892 -0.692 1
1 262 . 1 1 1 A 25 25 PHE HA H 55 4.240 4.144 0.096 1
1 267 . 1 1 1 A 25 25 PHE C C 55 176.300 177.931 -1.631 1
1 268 . 1 1 1 A 25 25 PHE CA C 55 58.500 61.396 -2.896 1
1 269 . 1 1 1 A 25 25 PHE CB C 55 36.300 39.017 -2.717 1
1 273 . 1 1 1 A 25 25 PHE N N 55 119.100 118.599 0.501 1
1 274 . 1 1 1 A 26 26 GLY H H 56 8.570 8.927 -0.357 1
1 275 . 1 1 1 A 26 26 GLY HA2 H 56 3.580 3.924 -0.344 1
1 276 . 1 1 1 A 26 26 GLY HA3 H 56 3.670 4.186 -0.516 1
1 277 . 1 1 1 A 26 26 GLY C C 56 172.200 176.011 -3.811 1
1 278 . 1 1 1 A 26 26 GLY CA C 56 44.900 47.243 -2.343 1
1 279 . 1 1 1 A 26 26 GLY N N 56 108.900 106.901 1.999 1
1 280 . 1 1 1 A 27 27 VAL H H 57 8.550 8.261 0.289 1
1 281 . 1 1 1 A 27 27 VAL HA H 57 3.640 3.726 -0.086 1
1 289 . 1 1 1 A 27 27 VAL C C 57 175.000 177.796 -2.796 1
1 290 . 1 1 1 A 27 27 VAL CA C 57 63.800 66.092 -2.292 1
1 291 . 1 1 1 A 27 27 VAL CB C 57 29.000 31.626 -2.626 1
1 294 . 1 1 1 A 27 27 VAL N N 57 120.000 122.295 -2.295 1
1 295 . 1 1 1 A 28 28 ARG H H 58 8.030 8.184 -0.154 1
1 296 . 1 1 1 A 28 28 ARG HA H 58 4.020 4.035 -0.015 1
1 301 . 1 1 1 A 28 28 ARG C C 58 176.700 178.259 -1.559 1
1 302 . 1 1 1 A 28 28 ARG CA C 58 56.700 58.425 -1.725 1
1 303 . 1 1 1 A 28 28 ARG CB C 58 27.600 30.220 -2.620 1
1 306 . 1 1 1 A 28 28 ARG N N 58 118.300 120.870 -2.570 1
1 307 . 1 1 1 A 29 29 SER H H 59 8.020 7.709 0.311 1
1 308 . 1 1 1 A 29 29 SER HA H 59 4.280 3.862 0.418 1
1 310 . 1 1 1 A 29 29 SER C C 59 173.300 176.903 -3.603 1
1 311 . 1 1 1 A 29 29 SER CA C 59 58.200 60.843 -2.643 1
1 312 . 1 1 1 A 29 29 SER CB C 59 60.700 62.217 -1.517 1
1 313 . 1 1 1 A 29 29 SER N N 59 114.700 115.134 -0.434 1
1 314 . 1 1 1 A 30 30 GLY H H 60 8.310 8.440 -0.130 1
1 315 . 1 1 1 A 30 30 GLY HA2 H 60 3.630 3.880 -0.250 1
1 316 . 1 1 1 A 30 30 GLY HA3 H 60 3.750 3.895 -0.145 1
1 317 . 1 1 1 A 30 30 GLY C C 60 171.900 176.002 -4.102 1
1 318 . 1 1 1 A 30 30 GLY CA C 60 44.500 47.345 -2.845 1
1 319 . 1 1 1 A 30 30 GLY N N 60 109.700 109.506 0.194 1
1 320 . 1 1 1 A 31 31 ALA H H 61 8.330 8.174 0.156 1
1 321 . 1 1 1 A 31 31 ALA HA H 61 3.970 4.123 -0.153 1
1 325 . 1 1 1 A 31 31 ALA C C 61 177.200 179.811 -2.611 1
1 326 . 1 1 1 A 31 31 ALA CA C 61 52.900 54.822 -1.922 1
1 327 . 1 1 1 A 31 31 ALA CB C 61 15.500 18.172 -2.672 1
1 328 . 1 1 1 A 31 31 ALA N N 61 122.700 124.855 -2.155 1
1 329 . 1 1 1 A 32 32 ALA H H 62 7.860 8.270 -0.410 1
1 330 . 1 1 1 A 32 32 ALA HA H 62 4.120 3.977 0.143 1
1 334 . 1 1 1 A 32 32 ALA C C 62 177.400 179.443 -2.043 1
1 335 . 1 1 1 A 32 32 ALA CA C 62 52.200 54.951 -2.751 1
1 336 . 1 1 1 A 32 32 ALA CB C 62 15.600 18.207 -2.607 1
1 337 . 1 1 1 A 32 32 ALA N N 62 120.400 119.919 0.481 1
1 338 . 1 1 1 A 33 33 ALA H H 63 7.920 8.131 -0.211 1
1 339 . 1 1 1 A 33 33 ALA HA H 63 4.070 4.035 0.035 1
1 343 . 1 1 1 A 33 33 ALA C C 63 176.200 179.589 -3.389 1
1 344 . 1 1 1 A 33 33 ALA CA C 63 52.100 55.018 -2.918 1
1 345 . 1 1 1 A 33 33 ALA CB C 63 15.800 18.398 -2.598 1
1 346 . 1 1 1 A 33 33 ALA N N 63 120.100 120.520 -0.420 1
1 347 . 1 1 1 A 34 34 LEU H H 64 8.090 8.183 -0.093 1
1 348 . 1 1 1 A 34 34 LEU HA H 64 3.980 4.135 -0.155 1
1 358 . 1 1 1 A 34 34 LEU C C 64 175.900 178.741 -2.841 1
1 359 . 1 1 1 A 34 34 LEU CA C 64 55.500 57.786 -2.286 1
1 360 . 1 1 1 A 34 34 LEU CB C 64 39.100 41.840 -2.740 1
1 364 . 1 1 1 A 34 34 LEU N N 64 116.400 120.082 -3.682 1
1 365 . 1 1 1 A 35 35 THR H H 65 7.860 8.206 -0.346 1
1 366 . 1 1 1 A 35 35 THR HA H 65 3.770 3.935 -0.165 1
1 371 . 1 1 1 A 35 35 THR C C 65 173.100 176.587 -3.487 1
1 372 . 1 1 1 A 35 35 THR CA C 65 64.600 65.236 -0.636 1
1 373 . 1 1 1 A 35 35 THR CB C 65 66.000 68.943 -2.943 1
1 375 . 1 1 1 A 35 35 THR N N 65 113.500 114.326 -0.826 1
1 376 . 1 1 1 A 36 36 LEU H H 66 7.430 7.674 -0.244 1
1 377 . 1 1 1 A 36 36 LEU HA H 66 4.000 4.159 -0.159 1
1 387 . 1 1 1 A 36 36 LEU C C 66 176.800 178.424 -1.624 1
1 388 . 1 1 1 A 36 36 LEU CA C 66 55.500 58.164 -2.664 1
1 389 . 1 1 1 A 36 36 LEU CB C 66 39.200 41.444 -2.244 1
1 393 . 1 1 1 A 36 36 LEU N N 66 120.200 119.765 0.435 1
1 394 . 1 1 1 A 37 37 ILE H H 67 7.750 8.251 -0.501 1
1 395 . 1 1 1 A 37 37 ILE HA H 67 3.800 3.715 0.085 1
1 405 . 1 1 1 A 37 37 ILE C C 67 175.000 178.005 -3.005 1
1 406 . 1 1 1 A 37 37 ILE CA C 67 62.600 65.339 -2.739 1
1 407 . 1 1 1 A 37 37 ILE CB C 67 35.300 38.153 -2.853 1
1 411 . 1 1 1 A 37 37 ILE N N 67 119.600 120.390 -0.790 1
1 412 . 1 1 1 A 38 38 VAL H H 68 8.250 7.860 0.390 1
1 413 . 1 1 1 A 38 38 VAL HA H 68 3.590 3.809 -0.219 1
1 421 . 1 1 1 A 38 38 VAL C C 68 176.600 178.162 -1.562 1
1 422 . 1 1 1 A 38 38 VAL CA C 68 65.000 65.613 -0.613 1
1 423 . 1 1 1 A 38 38 VAL CB C 68 28.900 31.701 -2.801 1
1 426 . 1 1 1 A 38 38 VAL N N 68 119.600 116.872 2.728 1
1 427 . 1 1 1 A 39 39 VAL H H 69 8.370 7.898 0.472 1
1 428 . 1 1 1 A 39 39 VAL HA H 69 3.620 3.688 -0.068 1
1 436 . 1 1 1 A 39 39 VAL C C 69 175.800 177.922 -2.122 1
1 437 . 1 1 1 A 39 39 VAL CA C 69 64.200 66.655 -2.455 1
1 438 . 1 1 1 A 39 39 VAL CB C 69 28.900 31.664 -2.764 1
1 441 . 1 1 1 A 39 39 VAL N N 69 121.700 121.493 0.207 1
1 442 . 1 1 1 A 40 40 TRP H H 70 8.320 8.507 -0.187 1
1 443 . 1 1 1 A 40 40 TRP HA H 70 4.150 4.315 -0.165 1
1 449 . 1 1 1 A 40 40 TRP C C 70 176.600 178.342 -1.742 1
1 450 . 1 1 1 A 40 40 TRP CA C 70 59.700 61.234 -1.534 1
1 451 . 1 1 1 A 40 40 TRP CB C 70 26.400 29.637 -3.237 1
1 454 . 1 1 1 A 40 40 TRP N N 70 122.400 120.829 1.571 1
1 456 . 1 1 1 A 41 41 ILE H H 71 8.780 8.077 0.703 1
1 457 . 1 1 1 A 41 41 ILE HA H 71 3.510 3.286 0.224 1
1 467 . 1 1 1 A 41 41 ILE C C 71 175.600 178.349 -2.749 1
1 468 . 1 1 1 A 41 41 ILE CA C 71 62.500 64.348 -1.848 1
1 469 . 1 1 1 A 41 41 ILE CB C 71 35.700 38.069 -2.369 1
1 473 . 1 1 1 A 41 41 ILE N N 71 117.500 120.614 -3.114 1
1 474 . 1 1 1 A 42 42 THR H H 72 8.280 7.888 0.392 1
1 475 . 1 1 1 A 42 42 THR HA H 72 4.000 4.228 -0.228 1
1 480 . 1 1 1 A 42 42 THR C C 72 173.800 176.225 -2.425 1
1 481 . 1 1 1 A 42 42 THR CA C 72 62.500 65.331 -2.831 1
1 482 . 1 1 1 A 42 42 THR CB C 72 66.500 69.790 -3.290 1
1 484 . 1 1 1 A 42 42 THR N N 72 110.700 115.886 -5.186 1
1 485 . 1 1 1 A 43 43 SER H H 73 7.810 8.044 -0.234 1
1 486 . 1 1 1 A 43 43 SER HA H 73 4.320 4.183 0.137 1
1 488 . 1 1 1 A 43 43 SER C C 73 172.800 174.274 -1.474 1
1 489 . 1 1 1 A 43 43 SER CA C 73 57.600 61.044 -3.444 1
1 490 . 1 1 1 A 43 43 SER CB C 73 60.900 63.469 -2.569 1
1 491 . 1 1 1 A 43 43 SER N N 73 115.900 115.089 0.811 1
1 492 . 1 1 1 A 44 44 ARG H H 74 7.490 7.586 -0.096 1
1 493 . 1 1 1 A 44 44 ARG HA H 74 4.120 3.981 0.139 1
1 500 . 1 1 1 A 44 44 ARG C C 74 174.200 175.517 -1.317 1
1 501 . 1 1 1 A 44 44 ARG CA C 74 53.600 57.190 -3.590 1
1 502 . 1 1 1 A 44 44 ARG CB C 74 27.700 28.275 -0.575 1
1 505 . 1 1 1 A 44 44 ARG N N 74 120.100 121.296 -1.196 1
1 506 . 1 1 1 A 45 45 SER H H 75 7.890 7.933 -0.043 1
1 507 . 1 1 1 A 45 45 SER HA H 75 4.210 4.530 -0.320 1
1 509 . 1 1 1 A 45 45 SER C C 75 172.300 174.654 -2.354 1
1 510 . 1 1 1 A 45 45 SER CA C 75 56.800 59.432 -2.632 1
1 511 . 1 1 1 A 45 45 SER CB C 75 60.900 64.310 -3.410 1
1 512 . 1 1 1 A 45 45 SER N N 75 114.400 114.671 -0.271 1
1 513 . 1 1 1 A 46 46 ARG H H 76 7.850 8.546 -0.696 1
1 514 . 1 1 1 A 46 46 ARG HA H 76 4.220 4.184 0.036 1
1 519 . 1 1 1 A 46 46 ARG C C 76 173.500 175.987 -2.487 1
1 520 . 1 1 1 A 46 46 ARG CA C 76 53.900 57.547 -3.647 1
1 521 . 1 1 1 A 46 46 ARG CB C 76 27.800 30.219 -2.419 1
1 524 . 1 1 1 A 46 46 ARG N N 76 120.600 123.577 -2.977 1
1 525 . 1 1 1 A 47 47 LYS H H 77 7.900 8.226 -0.326 1
1 526 . 1 1 1 A 47 47 LYS HA H 77 4.320 3.519 0.801 1
1 533 . 1 1 1 A 47 47 LYS C C 77 173.600 176.035 -2.435 1
1 534 . 1 1 1 A 47 47 LYS CA C 77 53.400 56.367 -2.967 1
1 535 . 1 1 1 A 47 47 LYS CB C 77 30.500 32.586 -2.086 1
1 539 . 1 1 1 A 47 47 LYS N N 77 119.100 123.471 -4.371 1
1 540 . 1 1 1 A 48 48 THR H H 78 7.840 7.940 -0.100 1
1 541 . 1 1 1 A 48 48 THR HA H 78 4.390 4.433 -0.043 1
1 546 . 1 1 1 A 48 48 THR C C 78 174.000 174.034 -0.034 1
1 547 . 1 1 1 A 48 48 THR CA C 78 59.500 60.366 -0.866 1
1 548 . 1 1 1 A 48 48 THR CB C 78 66.600 68.762 -2.162 1
1 550 . 1 1 1 A 48 48 THR N N 78 116.200 116.705 -0.505 1
1 551 . 1 1 1 A 49 49 PRO HA H 79 4.410 4.556 -0.146 1
1 557 . 1 1 1 A 49 49 PRO CA C 79 60.800 62.667 -1.867 1
1 558 . 1 1 1 A 49 49 PRO CB C 79 28.900 32.680 -3.780 1
1 561 . 1 1 1 A 50 50 ILE H H 80 7.850 8.592 -0.742 1
1 562 . 1 1 1 A 50 50 ILE HA H 80 3.880 3.770 0.110 1
1 572 . 1 1 1 A 50 50 ILE C C 80 173.500 177.666 -4.166 1
1 573 . 1 1 1 A 50 50 ILE CA C 80 59.800 64.352 -4.552 1
1 574 . 1 1 1 A 50 50 ILE CB C 80 35.600 37.759 -2.159 1
1 578 . 1 1 1 A 50 50 ILE N N 80 119.400 123.065 -3.665 1
1 579 . 1 1 1 A 51 51 PHE H H 81 7.730 8.546 -0.816 1
1 580 . 1 1 1 A 51 51 PHE HA H 81 4.500 4.141 0.359 1
1 585 . 1 1 1 A 51 51 PHE CA C 81 56.200 61.424 -5.224 1
1 586 . 1 1 1 A 51 51 PHE CB C 81 36.500 39.064 -2.564 1
1 590 . 1 1 1 A 51 51 PHE N N 81 118.900 123.701 -4.801 1
1 591 . 1 1 1 A 52 52 ILE H H 82 7.420 8.082 -0.662 1
1 592 . 1 1 1 A 52 52 ILE HA H 82 3.880 3.652 0.228 1
1 602 . 1 1 1 A 52 52 ILE C C 82 173.800 178.086 -4.286 1
1 603 . 1 1 1 A 52 52 ILE CA C 82 59.700 64.498 -4.798 1
1 604 . 1 1 1 A 52 52 ILE CB C 82 35.400 37.718 -2.318 1
1 608 . 1 1 1 A 52 52 ILE N N 82 118.000 120.409 -2.409 1
1 609 . 1 1 1 A 53 53 ILE H H 83 7.540 8.144 -0.604 1
1 610 . 1 1 1 A 53 53 ILE HA H 83 3.890 3.457 0.433 1
1 620 . 1 1 1 A 53 53 ILE C C 83 174.300 178.273 -3.973 1
1 621 . 1 1 1 A 53 53 ILE CA C 83 59.800 65.496 -5.696 1
1 622 . 1 1 1 A 53 53 ILE CB C 83 35.600 37.765 -2.165 1
1 626 . 1 1 1 A 53 53 ILE N N 83 119.300 120.311 -1.011 1
1 627 . 1 1 1 A 54 54 ASN H H 84 8.030 8.653 -0.623 1
1 628 . 1 1 1 A 54 54 ASN HA H 84 4.620 4.278 0.342 1
1 631 . 1 1 1 A 54 54 ASN CA C 84 51.500 56.855 -5.355 1
1 632 . 1 1 1 A 54 54 ASN CB C 84 36.500 39.499 -2.999 1
1 633 . 1 1 1 A 54 54 ASN N N 84 118.300 118.825 -0.525 1
1 634 . 1 1 1 A 55 55 GLN H H 85 8.040 7.801 0.239 1
1 635 . 1 1 1 A 55 55 GLN HA H 85 4.210 3.922 0.288 1
1 639 . 1 1 1 A 55 55 GLN CA C 85 54.400 58.653 -4.253 1
1 640 . 1 1 1 A 55 55 GLN CB C 85 25.600 28.823 -3.223 1
1 642 . 1 1 1 A 56 56 VAL H H 86 7.720 8.060 -0.340 1
1 643 . 1 1 1 A 56 56 VAL HA H 86 3.800 3.868 -0.068 1
1 651 . 1 1 1 A 56 56 VAL C C 86 174.200 177.938 -3.738 1
1 652 . 1 1 1 A 56 56 VAL CA C 86 62.700 65.097 -2.397 1
1 653 . 1 1 1 A 56 56 VAL CB C 86 29.100 31.658 -2.558 1
1 656 . 1 1 1 A 56 56 VAL N N 86 118.700 119.352 -0.652 1
1 657 . 1 1 1 A 57 57 SER H H 87 8.080 8.419 -0.339 1
1 658 . 1 1 1 A 57 57 SER HA H 87 4.200 4.090 0.110 1
1 660 . 1 1 1 A 57 57 SER C C 87 173.800 176.221 -2.421 1
1 661 . 1 1 1 A 57 57 SER CA C 87 58.400 62.173 -3.773 1
1 662 . 1 1 1 A 57 57 SER CB C 87 60.000 62.821 -2.821 1
1 663 . 1 1 1 A 57 57 SER N N 87 115.300 116.988 -1.688 1
1 664 . 1 1 1 A 58 58 LEU H H 88 7.780 8.399 -0.619 1
1 665 . 1 1 1 A 58 58 LEU HA H 88 4.060 3.929 0.131 1
1 675 . 1 1 1 A 58 58 LEU CA C 88 55.300 57.921 -2.621 1
1 676 . 1 1 1 A 58 58 LEU CB C 88 39.200 41.883 -2.683 1
1 680 . 1 1 1 A 58 58 LEU N N 88 121.900 120.827 1.073 1
1 681 . 1 1 1 A 59 59 PHE H H 89 7.980 8.469 -0.489 1
1 682 . 1 1 1 A 59 59 PHE HA H 89 4.190 4.109 0.081 1
1 687 . 1 1 1 A 59 59 PHE C C 89 174.600 176.979 -2.379 1
1 688 . 1 1 1 A 59 59 PHE CA C 89 58.300 61.302 -3.002 1
1 689 . 1 1 1 A 59 59 PHE CB C 89 35.900 38.848 -2.948 1
1 693 . 1 1 1 A 59 59 PHE N N 89 117.100 119.145 -2.045 1
1 694 . 1 1 1 A 60 60 LEU H H 90 8.010 8.895 -0.885 1
1 695 . 1 1 1 A 60 60 LEU HA H 90 3.870 3.866 0.004 1
1 705 . 1 1 1 A 60 60 LEU C C 90 176.800 179.276 -2.476 1
1 706 . 1 1 1 A 60 60 LEU CA C 90 55.400 58.482 -3.082 1
1 707 . 1 1 1 A 60 60 LEU CB C 90 38.900 42.160 -3.260 1
1 711 . 1 1 1 A 60 60 LEU N N 90 117.700 119.744 -2.044 1
1 712 . 1 1 1 A 61 61 ILE H H 91 7.910 8.037 -0.127 1
1 713 . 1 1 1 A 61 61 ILE HA H 91 3.790 3.586 0.204 1
1 723 . 1 1 1 A 61 61 ILE CA C 91 62.500 65.415 -2.915 1
1 724 . 1 1 1 A 61 61 ILE CB C 91 35.400 38.016 -2.616 1
1 728 . 1 1 1 A 61 61 ILE N N 91 118.400 118.133 0.267 1
1 729 . 1 1 1 A 62 62 ILE H H 92 7.930 8.476 -0.546 1
1 730 . 1 1 1 A 62 62 ILE HA H 92 3.620 3.472 0.148 1
1 740 . 1 1 1 A 62 62 ILE C C 92 175.000 177.875 -2.875 1
1 741 . 1 1 1 A 62 62 ILE CA C 92 62.800 65.483 -2.683 1
1 742 . 1 1 1 A 62 62 ILE CB C 92 34.600 37.792 -3.192 1
1 746 . 1 1 1 A 62 62 ILE N N 92 121.800 119.864 1.936 1
1 747 . 1 1 1 A 63 63 LEU H H 93 8.250 8.373 -0.123 1
1 748 . 1 1 1 A 63 63 LEU HA H 93 3.880 3.906 -0.026 1
1 758 . 1 1 1 A 63 63 LEU C C 93 175.900 179.068 -3.168 1
1 759 . 1 1 1 A 63 63 LEU CA C 93 55.800 58.578 -2.778 1
1 760 . 1 1 1 A 63 63 LEU CB C 93 39.100 41.898 -2.798 1
1 764 . 1 1 1 A 63 63 LEU N N 93 119.800 121.493 -1.693 1
1 765 . 1 1 1 A 64 64 HIS H H 94 8.330 8.540 -0.210 1
1 766 . 1 1 1 A 64 64 HIS HA H 94 4.290 4.082 0.208 1
1 770 . 1 1 1 A 64 64 HIS C C 94 175.200 177.071 -1.871 1
1 771 . 1 1 1 A 64 64 HIS CA C 94 56.000 60.005 -4.005 1
1 772 . 1 1 1 A 64 64 HIS CB C 94 25.900 29.477 -3.577 1
1 775 . 1 1 1 A 64 64 HIS N N 94 114.700 118.983 -4.283 1
1 776 . 1 1 1 A 65 65 SER H H 95 8.150 8.363 -0.213 1
1 777 . 1 1 1 A 65 65 SER HA H 95 4.250 3.813 0.437 1
1 779 . 1 1 1 A 65 65 SER C C 95 172.500 176.378 -3.878 1
1 780 . 1 1 1 A 65 65 SER CA C 95 59.900 61.856 -1.956 1
1 781 . 1 1 1 A 65 65 SER CB C 95 60.500 62.645 -2.145 1
1 782 . 1 1 1 A 65 65 SER N N 95 116.200 115.023 1.177 1
1 783 . 1 1 1 A 66 66 ALA H H 96 8.220 8.420 -0.200 1
1 784 . 1 1 1 A 66 66 ALA HA H 96 4.080 4.261 -0.181 1
1 788 . 1 1 1 A 66 66 ALA C C 96 176.400 179.608 -3.208 1
1 789 . 1 1 1 A 66 66 ALA CA C 96 52.600 55.252 -2.652 1
1 790 . 1 1 1 A 66 66 ALA CB C 96 15.600 18.180 -2.580 1
1 791 . 1 1 1 A 66 66 ALA N N 96 123.500 123.662 -0.162 1
1 792 . 1 1 1 A 67 67 LEU H H 97 7.870 8.147 -0.277 1
1 793 . 1 1 1 A 67 67 LEU HA H 97 3.980 4.176 -0.196 1
1 803 . 1 1 1 A 67 67 LEU C C 97 176.700 178.405 -1.705 1
1 804 . 1 1 1 A 67 67 LEU CA C 97 55.000 57.846 -2.846 1
1 805 . 1 1 1 A 67 67 LEU CB C 97 38.700 41.457 -2.757 1
1 809 . 1 1 1 A 67 67 LEU N N 97 115.800 120.175 -4.375 1
1 810 . 1 1 1 A 68 68 TYR H H 98 7.830 9.094 -1.264 1
1 811 . 1 1 1 A 68 68 TYR HA H 98 4.320 4.247 0.073 1
1 816 . 1 1 1 A 68 68 TYR C C 98 174.900 177.338 -2.438 1
1 817 . 1 1 1 A 68 68 TYR CA C 98 58.200 61.885 -3.685 1
1 818 . 1 1 1 A 68 68 TYR CB C 98 35.500 38.514 -3.014 1
1 821 . 1 1 1 A 68 68 TYR N N 98 120.300 120.515 -0.215 1
1 822 . 1 1 1 A 69 69 PHE H H 99 8.110 8.360 -0.250 1
1 823 . 1 1 1 A 69 69 PHE HA H 99 4.200 4.207 -0.007 1
1 828 . 1 1 1 A 69 69 PHE C C 99 173.600 177.592 -3.992 1
1 829 . 1 1 1 A 69 69 PHE CA C 99 58.400 61.330 -2.930 1
1 830 . 1 1 1 A 69 69 PHE CB C 99 36.100 39.245 -3.145 1
1 834 . 1 1 1 A 69 69 PHE N N 99 117.600 121.145 -3.545 1
1 835 . 1 1 1 A 70 70 LYS H H 100 8.030 8.354 -0.324 1
1 836 . 1 1 1 A 70 70 LYS HA H 100 3.800 3.774 0.026 1
1 843 . 1 1 1 A 70 70 LYS C C 100 175.700 177.911 -2.211 1
1 844 . 1 1 1 A 70 70 LYS CA C 100 57.300 58.906 -1.606 1
1 845 . 1 1 1 A 70 70 LYS CB C 100 29.500 32.021 -2.521 1
1 849 . 1 1 1 A 70 70 LYS N N 100 118.300 118.049 0.251 1
1 850 . 1 1 1 A 71 71 TYR H H 101 7.720 8.481 -0.761 1
1 851 . 1 1 1 A 71 71 TYR HA H 101 4.210 4.113 0.097 1
1 856 . 1 1 1 A 71 71 TYR C C 101 175.300 177.136 -1.836 1
1 857 . 1 1 1 A 71 71 TYR CA C 101 57.800 61.397 -3.597 1
1 858 . 1 1 1 A 71 71 TYR CB C 101 34.700 38.783 -4.083 1
1 861 . 1 1 1 A 71 71 TYR N N 101 119.600 120.993 -1.393 1
1 862 . 1 1 1 A 72 72 LEU H H 102 7.950 8.278 -0.328 1
1 863 . 1 1 1 A 72 72 LEU HA H 102 3.800 3.708 0.092 1
1 870 . 1 1 1 A 72 72 LEU C C 102 176.300 179.507 -3.207 1
1 871 . 1 1 1 A 72 72 LEU CA C 102 55.100 57.743 -2.643 1
1 872 . 1 1 1 A 72 72 LEU CB C 102 39.500 41.495 -1.995 1
1 876 . 1 1 1 A 72 72 LEU N N 102 121.000 120.674 0.326 1
1 877 . 1 1 1 A 73 73 LEU H H 103 7.870 7.973 -0.103 1
1 878 . 1 1 1 A 73 73 LEU HA H 103 4.030 4.178 -0.148 1
1 888 . 1 1 1 A 73 73 LEU C C 103 176.200 178.622 -2.422 1
1 889 . 1 1 1 A 73 73 LEU CA C 103 54.500 58.006 -3.506 1
1 890 . 1 1 1 A 73 73 LEU CB C 103 39.200 40.931 -1.731 1
1 894 . 1 1 1 A 73 73 LEU N N 103 116.900 118.221 -1.321 1
1 895 . 1 1 1 A 74 74 SER H H 104 7.780 8.143 -0.363 1
1 896 . 1 1 1 A 74 74 SER HA H 104 4.230 3.998 0.232 1
1 898 . 1 1 1 A 74 74 SER C C 104 172.800 176.805 -4.005 1
1 899 . 1 1 1 A 74 74 SER CA C 104 57.900 61.177 -3.277 1
1 900 . 1 1 1 A 74 74 SER CB C 104 60.800 62.967 -2.167 1
1 901 . 1 1 1 A 74 74 SER N N 104 113.200 115.212 -2.012 1
1 902 . 1 1 1 A 75 75 ASN H H 105 7.720 7.734 -0.014 1
1 903 . 1 1 1 A 75 75 ASN HA H 105 4.530 4.358 0.172 1
1 906 . 1 1 1 A 75 75 ASN C C 105 173.100 177.216 -4.116 1
1 907 . 1 1 1 A 75 75 ASN CA C 105 51.800 55.907 -4.107 1
1 908 . 1 1 1 A 75 75 ASN CB C 105 36.600 38.151 -1.551 1
1 909 . 1 1 1 A 75 75 ASN N N 105 118.400 119.333 -0.933 1
1 910 . 1 1 1 A 76 76 TYR H H 106 7.720 7.946 -0.226 1
1 911 . 1 1 1 A 76 76 TYR HA H 106 4.380 4.343 0.037 1
1 916 . 1 1 1 A 76 76 TYR C C 106 173.000 176.322 -3.322 1
1 917 . 1 1 1 A 76 76 TYR CA C 106 56.700 59.429 -2.729 1
1 918 . 1 1 1 A 76 76 TYR CB C 106 36.100 38.528 -2.428 1
1 921 . 1 1 1 A 76 76 TYR N N 106 118.900 118.195 0.705 1
1 922 . 1 1 1 A 77 77 SER H H 107 7.650 7.584 0.066 1
1 923 . 1 1 1 A 77 77 SER HA H 107 4.330 4.666 -0.336 1
1 926 . 1 1 1 A 77 77 SER C C 107 171.800 172.984 -1.184 1
1 927 . 1 1 1 A 77 77 SER CA C 107 55.800 57.207 -1.407 1
1 928 . 1 1 1 A 77 77 SER CB C 107 61.400 65.180 -3.780 1
1 929 . 1 1 1 A 77 77 SER N N 107 114.300 110.672 3.628 1
1 930 . 1 1 1 A 78 78 SER H H 108 7.940 8.799 -0.859 1
1 931 . 1 1 1 A 78 78 SER HA H 108 4.440 4.667 -0.227 1
1 933 . 1 1 1 A 78 78 SER C C 108 171.900 174.186 -2.286 1
1 934 . 1 1 1 A 78 78 SER CA C 108 55.800 57.599 -1.799 1
1 935 . 1 1 1 A 78 78 SER CB C 108 61.200 63.836 -2.636 1
1 936 . 1 1 1 A 78 78 SER N N 108 116.600 120.231 -3.631 1
1 937 . 1 1 1 A 79 79 VAL H H 109 7.850 7.317 0.533 1
1 938 . 1 1 1 A 79 79 VAL HA H 109 4.170 4.522 -0.352 1
1 943 . 1 1 1 A 79 79 VAL C C 109 172.900 174.299 -1.399 1
1 944 . 1 1 1 A 79 79 VAL CA C 109 59.900 60.267 -0.367 1
1 945 . 1 1 1 A 79 79 VAL CB C 109 29.900 33.785 -3.885 1
1 948 . 1 1 1 A 79 79 VAL N N 109 120.200 117.792 2.408 1
1 3 . 2 1 1 A 2 2 ASN HA H 32 4.710 5.364 -0.654 1
1 6 . 2 1 1 A 2 2 ASN CA C 32 50.800 51.817 -1.017 1
1 7 . 2 1 1 A 2 2 ASN CB C 32 36.400 41.370 -4.970 1
1 8 . 2 1 1 A 3 3 GLY H H 33 8.470 8.400 0.070 1
1 9 . 2 1 1 A 3 3 GLY HA2 H 33 3.890 4.084 -0.194 1
1 10 . 2 1 1 A 3 3 GLY HA3 H 33 3.990 4.088 -0.098 1
1 11 . 2 1 1 A 3 3 GLY C C 33 171.500 172.267 -0.767 1
1 12 . 2 1 1 A 3 3 GLY CA C 33 42.900 44.717 -1.817 1
1 13 . 2 1 1 A 3 3 GLY N N 33 109.300 106.403 2.897 1
1 14 . 2 1 1 A 4 4 SER H H 34 8.020 8.350 -0.330 1
1 15 . 2 1 1 A 4 4 SER HA H 34 4.480 5.036 -0.556 1
1 17 . 2 1 1 A 4 4 SER C C 34 171.700 174.538 -2.838 1
1 18 . 2 1 1 A 4 4 SER CA C 34 55.600 57.232 -1.632 1
1 19 . 2 1 1 A 4 4 SER CB C 34 61.400 66.623 -5.223 1
1 20 . 2 1 1 A 4 4 SER N N 34 115.200 116.227 -1.027 1
1 21 . 2 1 1 A 5 5 THR H H 35 8.030 8.924 -0.894 1
1 22 . 2 1 1 A 5 5 THR HA H 35 4.300 3.901 0.399 1
1 27 . 2 1 1 A 5 5 THR C C 35 171.400 173.530 -2.130 1
1 28 . 2 1 1 A 5 5 THR CA C 35 59.500 62.860 -3.360 1
1 29 . 2 1 1 A 5 5 THR CB C 35 67.200 67.452 -0.252 1
1 31 . 2 1 1 A 5 5 THR N N 35 115.600 117.818 -2.218 1
1 32 . 2 1 1 A 6 6 ILE H H 36 7.850 7.835 0.015 1
1 33 . 2 1 1 A 6 6 ILE HA H 36 4.260 4.073 0.187 1
1 43 . 2 1 1 A 6 6 ILE C C 36 171.900 176.156 -4.256 1
1 44 . 2 1 1 A 6 6 ILE CA C 36 58.200 61.376 -3.176 1
1 45 . 2 1 1 A 6 6 ILE CB C 36 36.500 38.560 -2.060 1
1 49 . 2 1 1 A 6 6 ILE N N 36 122.000 122.101 -0.101 1
1 50 . 2 1 1 A 7 7 THR H H 37 7.680 8.149 -0.469 1
1 51 . 2 1 1 A 7 7 THR HA H 37 4.570 4.299 0.271 1
1 56 . 2 1 1 A 7 7 THR C C 37 172.800 175.990 -3.190 1
1 57 . 2 1 1 A 7 7 THR CA C 37 57.400 61.511 -4.111 1
1 58 . 2 1 1 A 7 7 THR CB C 37 68.700 70.444 -1.744 1
1 60 . 2 1 1 A 7 7 THR N N 37 114.700 117.804 -3.104 1
1 61 . 2 1 1 A 8 8 PHE H H 38 8.830 8.843 -0.013 1
1 62 . 2 1 1 A 8 8 PHE HA H 38 4.250 4.356 -0.106 1
1 67 . 2 1 1 A 8 8 PHE C C 38 174.700 177.776 -3.076 1
1 68 . 2 1 1 A 8 8 PHE CA C 38 58.400 61.423 -3.023 1
1 69 . 2 1 1 A 8 8 PHE CB C 38 36.000 38.072 -2.072 1
1 73 . 2 1 1 A 8 8 PHE N N 38 120.900 122.683 -1.783 1
1 74 . 2 1 1 A 9 9 ASP H H 39 8.400 8.407 -0.007 1
1 75 . 2 1 1 A 9 9 ASP HA H 39 4.280 4.243 0.037 1
1 77 . 2 1 1 A 9 9 ASP C C 39 176.100 179.097 -2.997 1
1 78 . 2 1 1 A 9 9 ASP CA C 39 54.500 57.243 -2.743 1
1 79 . 2 1 1 A 9 9 ASP CB C 39 37.800 40.424 -2.624 1
1 80 . 2 1 1 A 9 9 ASP N N 39 117.400 121.171 -3.771 1
1 81 . 2 1 1 A 10 10 GLU H H 40 7.740 7.722 0.018 1
1 82 . 2 1 1 A 10 10 GLU HA H 40 4.090 4.070 0.020 1
1 86 . 2 1 1 A 10 10 GLU C C 40 176.100 179.365 -3.265 1
1 87 . 2 1 1 A 10 10 GLU CA C 40 55.700 59.341 -3.641 1
1 88 . 2 1 1 A 10 10 GLU CB C 40 26.800 29.389 -2.589 1
1 90 . 2 1 1 A 10 10 GLU N N 40 118.800 120.099 -1.299 1
1 91 . 2 1 1 A 11 11 LEU H H 41 7.770 8.406 -0.636 1
1 92 . 2 1 1 A 11 11 LEU HA H 41 4.040 3.930 0.110 1
1 102 . 2 1 1 A 11 11 LEU C C 41 175.500 179.190 -3.690 1
1 103 . 2 1 1 A 11 11 LEU CA C 41 54.600 57.903 -3.303 1
1 104 . 2 1 1 A 11 11 LEU CB C 41 39.200 41.571 -2.371 1
1 108 . 2 1 1 A 11 11 LEU N N 41 119.500 120.221 -0.721 1
1 109 . 2 1 1 A 12 12 GLN H H 42 8.070 8.649 -0.579 1
1 110 . 2 1 1 A 12 12 GLN HA H 42 3.770 4.096 -0.326 1
1 114 . 2 1 1 A 12 12 GLN C C 42 175.400 179.651 -4.251 1
1 115 . 2 1 1 A 12 12 GLN CA C 42 56.500 58.951 -2.451 1
1 116 . 2 1 1 A 12 12 GLN CB C 42 25.800 28.343 -2.543 1
1 118 . 2 1 1 A 12 12 GLN N N 42 116.800 116.439 0.361 1
1 119 . 2 1 1 A 13 13 GLY H H 43 7.810 8.578 -0.768 1
1 120 . 2 1 1 A 13 13 GLY HA2 H 43 3.850 3.572 0.278 1
1 121 . 2 1 1 A 13 13 GLY HA3 H 43 3.910 3.572 0.338 1
1 122 . 2 1 1 A 13 13 GLY C C 43 173.000 176.001 -3.001 1
1 123 . 2 1 1 A 13 13 GLY CA C 43 43.800 47.294 -3.494 1
1 124 . 2 1 1 A 13 13 GLY N N 43 105.400 109.296 -3.896 1
1 125 . 2 1 1 A 14 14 LEU H H 44 7.650 8.132 -0.482 1
1 126 . 2 1 1 A 14 14 LEU HA H 44 4.210 3.996 0.214 1
1 136 . 2 1 1 A 14 14 LEU C C 44 176.000 178.503 -2.503 1
1 137 . 2 1 1 A 14 14 LEU CA C 44 54.200 58.364 -4.164 1
1 138 . 2 1 1 A 14 14 LEU CB C 44 40.000 41.369 -1.369 1
1 142 . 2 1 1 A 14 14 LEU N N 44 120.900 121.552 -0.652 1
1 143 . 2 1 1 A 15 15 VAL H H 45 7.760 7.808 -0.048 1
1 144 . 2 1 1 A 15 15 VAL HA H 45 3.740 3.895 -0.155 1
1 152 . 2 1 1 A 15 15 VAL C C 45 173.100 177.389 -4.289 1
1 153 . 2 1 1 A 15 15 VAL CA C 45 61.800 64.572 -2.772 1
1 154 . 2 1 1 A 15 15 VAL CB C 45 29.100 31.581 -2.481 1
1 157 . 2 1 1 A 15 15 VAL N N 45 117.200 119.393 -2.193 1
1 158 . 2 1 1 A 16 16 ASN H H 46 7.820 7.863 -0.043 1
1 159 . 2 1 1 A 16 16 ASN HA H 46 4.600 4.498 0.102 1
1 161 . 2 1 1 A 16 16 ASN CA C 46 51.400 56.138 -4.738 1
1 162 . 2 1 1 A 16 16 ASN CB C 46 36.000 38.962 -2.962 1
1 163 . 2 1 1 A 16 16 ASN N N 46 118.400 120.781 -2.381 1
1 164 . 2 1 1 A 17 17 SER H H 47 8.160 7.504 0.656 1
1 165 . 2 1 1 A 17 17 SER HA H 47 4.380 4.791 -0.411 1
1 168 . 2 1 1 A 17 17 SER CA C 47 57.900 57.151 0.749 1
1 169 . 2 1 1 A 17 17 SER CB C 47 61.000 63.089 -2.089 1
1 170 . 2 1 1 A 18 18 THR H H 48 8.130 7.843 0.287 1
1 171 . 2 1 1 A 18 18 THR HA H 48 3.990 4.540 -0.550 1
1 176 . 2 1 1 A 18 18 THR C C 48 173.800 175.261 -1.461 1
1 177 . 2 1 1 A 18 18 THR CA C 48 63.500 64.067 -0.567 1
1 178 . 2 1 1 A 18 18 THR CB C 48 66.000 70.207 -4.207 1
1 180 . 2 1 1 A 18 18 THR N N 48 118.300 114.578 3.722 1
1 181 . 2 1 1 A 19 19 VAL H H 49 8.100 8.619 -0.519 1
1 182 . 2 1 1 A 19 19 VAL HA H 49 3.640 3.730 -0.090 1
1 190 . 2 1 1 A 19 19 VAL C C 49 174.700 177.971 -3.271 1
1 191 . 2 1 1 A 19 19 VAL CA C 49 64.000 65.674 -1.674 1
1 192 . 2 1 1 A 19 19 VAL CB C 49 29.000 31.331 -2.331 1
1 195 . 2 1 1 A 19 19 VAL N N 49 120.800 120.571 0.229 1
1 196 . 2 1 1 A 20 20 THR H H 50 7.830 8.263 -0.433 1
1 197 . 2 1 1 A 20 20 THR HA H 50 3.740 3.936 -0.196 1
1 202 . 2 1 1 A 20 20 THR C C 50 173.800 176.913 -3.113 1
1 203 . 2 1 1 A 20 20 THR CA C 50 64.400 65.329 -0.929 1
1 204 . 2 1 1 A 20 20 THR CB C 50 65.500 68.778 -3.278 1
1 206 . 2 1 1 A 20 20 THR N N 50 114.000 116.129 -2.129 1
1 207 . 2 1 1 A 21 21 GLN H H 51 7.920 7.924 -0.004 1
1 208 . 2 1 1 A 21 21 GLN HA H 51 3.970 4.145 -0.175 1
1 211 . 2 1 1 A 21 21 GLN C C 51 175.900 178.210 -2.310 1
1 212 . 2 1 1 A 21 21 GLN CA C 51 56.300 58.635 -2.335 1
1 213 . 2 1 1 A 21 21 GLN CB C 51 25.700 28.701 -3.001 1
1 215 . 2 1 1 A 21 21 GLN N N 51 118.400 121.147 -2.747 1
1 216 . 2 1 1 A 22 22 ALA H H 52 7.960 7.871 0.089 1
1 217 . 2 1 1 A 22 22 ALA HA H 52 4.160 4.141 0.019 1
1 221 . 2 1 1 A 22 22 ALA C C 52 176.800 180.158 -3.358 1
1 222 . 2 1 1 A 22 22 ALA CA C 52 52.800 55.253 -2.453 1
1 223 . 2 1 1 A 22 22 ALA CB C 52 15.700 18.225 -2.525 1
1 224 . 2 1 1 A 22 22 ALA N N 52 122.200 122.170 0.030 1
1 225 . 2 1 1 A 23 23 ILE H H 53 8.100 8.062 0.038 1
1 226 . 2 1 1 A 23 23 ILE HA H 53 3.660 3.722 -0.062 1
1 236 . 2 1 1 A 23 23 ILE C C 53 175.300 178.413 -3.113 1
1 237 . 2 1 1 A 23 23 ILE CA C 53 62.700 65.389 -2.689 1
1 238 . 2 1 1 A 23 23 ILE CB C 53 35.100 38.233 -3.133 1
1 242 . 2 1 1 A 23 23 ILE N N 53 117.500 118.963 -1.463 1
1 243 . 2 1 1 A 24 24 LEU H H 54 8.160 7.864 0.296 1
1 244 . 2 1 1 A 24 24 LEU HA H 54 3.970 3.936 0.034 1
1 254 . 2 1 1 A 24 24 LEU C C 54 176.600 178.927 -2.327 1
1 255 . 2 1 1 A 24 24 LEU CA C 54 55.500 58.341 -2.841 1
1 256 . 2 1 1 A 24 24 LEU CB C 54 38.700 41.827 -3.127 1
1 260 . 2 1 1 A 24 24 LEU N N 54 118.900 118.878 0.022 1
1 261 . 2 1 1 A 25 25 PHE H H 55 8.200 8.751 -0.551 1
1 262 . 2 1 1 A 25 25 PHE HA H 55 4.240 4.079 0.161 1
1 267 . 2 1 1 A 25 25 PHE C C 55 176.300 177.687 -1.387 1
1 268 . 2 1 1 A 25 25 PHE CA C 55 58.500 61.394 -2.894 1
1 269 . 2 1 1 A 25 25 PHE CB C 55 36.300 38.910 -2.610 1
1 273 . 2 1 1 A 25 25 PHE N N 55 119.100 118.536 0.564 1
1 274 . 2 1 1 A 26 26 GLY H H 56 8.570 8.907 -0.337 1
1 275 . 2 1 1 A 26 26 GLY HA2 H 56 3.580 3.827 -0.247 1
1 276 . 2 1 1 A 26 26 GLY HA3 H 56 3.670 3.852 -0.182 1
1 277 . 2 1 1 A 26 26 GLY C C 56 172.200 175.843 -3.643 1
1 278 . 2 1 1 A 26 26 GLY CA C 56 44.900 47.217 -2.317 1
1 279 . 2 1 1 A 26 26 GLY N N 56 108.900 106.724 2.176 1
1 280 . 2 1 1 A 27 27 VAL H H 57 8.550 8.386 0.164 1
1 281 . 2 1 1 A 27 27 VAL HA H 57 3.640 3.694 -0.054 1
1 289 . 2 1 1 A 27 27 VAL C C 57 175.000 177.803 -2.803 1
1 290 . 2 1 1 A 27 27 VAL CA C 57 63.800 65.920 -2.120 1
1 291 . 2 1 1 A 27 27 VAL CB C 57 29.000 31.612 -2.612 1
1 294 . 2 1 1 A 27 27 VAL N N 57 120.000 122.374 -2.374 1
1 295 . 2 1 1 A 28 28 ARG H H 58 8.030 8.175 -0.145 1
1 296 . 2 1 1 A 28 28 ARG HA H 58 4.020 3.987 0.033 1
1 301 . 2 1 1 A 28 28 ARG C C 58 176.700 178.169 -1.469 1
1 302 . 2 1 1 A 28 28 ARG CA C 58 56.700 58.341 -1.641 1
1 303 . 2 1 1 A 28 28 ARG CB C 58 27.600 30.151 -2.551 1
1 306 . 2 1 1 A 28 28 ARG N N 58 118.300 120.809 -2.509 1
1 307 . 2 1 1 A 29 29 SER H H 59 8.020 7.695 0.325 1
1 308 . 2 1 1 A 29 29 SER HA H 59 4.280 3.813 0.467 1
1 310 . 2 1 1 A 29 29 SER C C 59 173.300 176.903 -3.603 1
1 311 . 2 1 1 A 29 29 SER CA C 59 58.200 61.018 -2.818 1
1 312 . 2 1 1 A 29 29 SER CB C 59 60.700 62.436 -1.736 1
1 313 . 2 1 1 A 29 29 SER N N 59 114.700 115.344 -0.644 1
1 314 . 2 1 1 A 30 30 GLY H H 60 8.310 8.456 -0.146 1
1 315 . 2 1 1 A 30 30 GLY HA2 H 60 3.630 3.694 -0.064 1
1 316 . 2 1 1 A 30 30 GLY HA3 H 60 3.750 3.728 0.022 1
1 317 . 2 1 1 A 30 30 GLY C C 60 171.900 175.824 -3.924 1
1 318 . 2 1 1 A 30 30 GLY CA C 60 44.500 47.289 -2.789 1
1 319 . 2 1 1 A 30 30 GLY N N 60 109.700 109.544 0.156 1
1 320 . 2 1 1 A 31 31 ALA H H 61 8.330 7.898 0.432 1
1 321 . 2 1 1 A 31 31 ALA HA H 61 3.970 4.016 -0.046 1
1 325 . 2 1 1 A 31 31 ALA C C 61 177.200 179.564 -2.364 1
1 326 . 2 1 1 A 31 31 ALA CA C 61 52.900 54.643 -1.743 1
1 327 . 2 1 1 A 31 31 ALA CB C 61 15.500 18.349 -2.849 1
1 328 . 2 1 1 A 31 31 ALA N N 61 122.700 124.502 -1.802 1
1 329 . 2 1 1 A 32 32 ALA H H 62 7.860 8.215 -0.355 1
1 330 . 2 1 1 A 32 32 ALA HA H 62 4.120 4.014 0.106 1
1 334 . 2 1 1 A 32 32 ALA C C 62 177.400 179.858 -2.458 1
1 335 . 2 1 1 A 32 32 ALA CA C 62 52.200 54.864 -2.664 1
1 336 . 2 1 1 A 32 32 ALA CB C 62 15.600 18.074 -2.474 1
1 337 . 2 1 1 A 32 32 ALA N N 62 120.400 119.885 0.515 1
1 338 . 2 1 1 A 33 33 ALA H H 63 7.920 8.322 -0.402 1
1 339 . 2 1 1 A 33 33 ALA HA H 63 4.070 3.947 0.123 1
1 343 . 2 1 1 A 33 33 ALA C C 63 176.200 179.544 -3.344 1
1 344 . 2 1 1 A 33 33 ALA CA C 63 52.100 54.954 -2.854 1
1 345 . 2 1 1 A 33 33 ALA CB C 63 15.800 18.313 -2.513 1
1 346 . 2 1 1 A 33 33 ALA N N 63 120.100 120.649 -0.549 1
1 347 . 2 1 1 A 34 34 LEU H H 64 8.090 8.110 -0.020 1
1 348 . 2 1 1 A 34 34 LEU HA H 64 3.980 4.039 -0.059 1
1 358 . 2 1 1 A 34 34 LEU C C 64 175.900 178.689 -2.789 1
1 359 . 2 1 1 A 34 34 LEU CA C 64 55.500 57.721 -2.221 1
1 360 . 2 1 1 A 34 34 LEU CB C 64 39.100 41.665 -2.565 1
1 364 . 2 1 1 A 34 34 LEU N N 64 116.400 120.026 -3.626 1
1 365 . 2 1 1 A 35 35 THR H H 65 7.860 8.050 -0.190 1
1 366 . 2 1 1 A 35 35 THR HA H 65 3.770 3.929 -0.159 1
1 371 . 2 1 1 A 35 35 THR C C 65 173.100 176.655 -3.555 1
1 372 . 2 1 1 A 35 35 THR CA C 65 64.600 65.243 -0.643 1
1 373 . 2 1 1 A 35 35 THR CB C 65 66.000 68.769 -2.769 1
1 375 . 2 1 1 A 35 35 THR N N 65 113.500 114.268 -0.768 1
1 376 . 2 1 1 A 36 36 LEU H H 66 7.430 7.846 -0.416 1
1 377 . 2 1 1 A 36 36 LEU HA H 66 4.000 3.984 0.016 1
1 387 . 2 1 1 A 36 36 LEU C C 66 176.800 178.412 -1.612 1
1 388 . 2 1 1 A 36 36 LEU CA C 66 55.500 57.878 -2.378 1
1 389 . 2 1 1 A 36 36 LEU CB C 66 39.200 41.624 -2.424 1
1 393 . 2 1 1 A 36 36 LEU N N 66 120.200 120.490 -0.290 1
1 394 . 2 1 1 A 37 37 ILE H H 67 7.750 8.038 -0.288 1
1 395 . 2 1 1 A 37 37 ILE HA H 67 3.800 3.644 0.156 1
1 405 . 2 1 1 A 37 37 ILE C C 67 175.000 177.835 -2.835 1
1 406 . 2 1 1 A 37 37 ILE CA C 67 62.600 64.983 -2.383 1
1 407 . 2 1 1 A 37 37 ILE CB C 67 35.300 37.714 -2.414 1
1 411 . 2 1 1 A 37 37 ILE N N 67 119.600 119.504 0.096 1
1 412 . 2 1 1 A 38 38 VAL H H 68 8.250 7.981 0.269 1
1 413 . 2 1 1 A 38 38 VAL HA H 68 3.590 3.853 -0.263 1
1 421 . 2 1 1 A 38 38 VAL C C 68 176.600 178.109 -1.509 1
1 422 . 2 1 1 A 38 38 VAL CA C 68 65.000 65.599 -0.599 1
1 423 . 2 1 1 A 38 38 VAL CB C 68 28.900 31.472 -2.572 1
1 426 . 2 1 1 A 38 38 VAL N N 68 119.600 116.943 2.657 1
1 427 . 2 1 1 A 39 39 VAL H H 69 8.370 8.266 0.104 1
1 428 . 2 1 1 A 39 39 VAL HA H 69 3.620 3.821 -0.201 1
1 436 . 2 1 1 A 39 39 VAL C C 69 175.800 178.108 -2.308 1
1 437 . 2 1 1 A 39 39 VAL CA C 69 64.200 65.234 -1.034 1
1 438 . 2 1 1 A 39 39 VAL CB C 69 28.900 31.429 -2.529 1
1 441 . 2 1 1 A 39 39 VAL N N 69 121.700 122.587 -0.887 1
1 442 . 2 1 1 A 40 40 TRP H H 70 8.320 8.392 -0.072 1
1 443 . 2 1 1 A 40 40 TRP HA H 70 4.150 4.426 -0.276 1
1 449 . 2 1 1 A 40 40 TRP C C 70 176.600 178.921 -2.321 1
1 450 . 2 1 1 A 40 40 TRP CA C 70 59.700 60.092 -0.392 1
1 451 . 2 1 1 A 40 40 TRP CB C 70 26.400 29.396 -2.996 1
1 454 . 2 1 1 A 40 40 TRP N N 70 122.400 121.787 0.613 1
1 456 . 2 1 1 A 41 41 ILE H H 71 8.780 8.096 0.684 1
1 457 . 2 1 1 A 41 41 ILE HA H 71 3.510 3.706 -0.196 1
1 467 . 2 1 1 A 41 41 ILE C C 71 175.600 178.257 -2.657 1
1 468 . 2 1 1 A 41 41 ILE CA C 71 62.500 64.275 -1.775 1
1 469 . 2 1 1 A 41 41 ILE CB C 71 35.700 37.803 -2.103 1
1 473 . 2 1 1 A 41 41 ILE N N 71 117.500 120.483 -2.983 1
1 474 . 2 1 1 A 42 42 THR H H 72 8.280 8.476 -0.196 1
1 475 . 2 1 1 A 42 42 THR HA H 72 4.000 3.840 0.160 1
1 480 . 2 1 1 A 42 42 THR C C 72 173.800 176.879 -3.079 1
1 481 . 2 1 1 A 42 42 THR CA C 72 62.500 65.898 -3.398 1
1 482 . 2 1 1 A 42 42 THR CB C 72 66.500 69.129 -2.629 1
1 484 . 2 1 1 A 42 42 THR N N 72 110.700 114.865 -4.165 1
1 485 . 2 1 1 A 43 43 SER H H 73 7.810 8.118 -0.308 1
1 486 . 2 1 1 A 43 43 SER HA H 73 4.320 4.420 -0.100 1
1 488 . 2 1 1 A 43 43 SER C C 73 172.800 174.054 -1.254 1
1 489 . 2 1 1 A 43 43 SER CA C 73 57.600 58.705 -1.105 1
1 490 . 2 1 1 A 43 43 SER CB C 73 60.900 63.706 -2.806 1
1 491 . 2 1 1 A 43 43 SER N N 73 115.900 114.984 0.916 1
1 492 . 2 1 1 A 44 44 ARG H H 74 7.490 7.720 -0.230 1
1 493 . 2 1 1 A 44 44 ARG HA H 74 4.120 4.100 0.020 1
1 500 . 2 1 1 A 44 44 ARG C C 74 174.200 174.801 -0.601 1
1 501 . 2 1 1 A 44 44 ARG CA C 74 53.600 56.836 -3.236 1
1 502 . 2 1 1 A 44 44 ARG CB C 74 27.700 28.720 -1.020 1
1 505 . 2 1 1 A 44 44 ARG N N 74 120.100 120.967 -0.867 1
1 506 . 2 1 1 A 45 45 SER H H 75 7.890 7.265 0.625 1
1 507 . 2 1 1 A 45 45 SER HA H 75 4.210 4.010 0.200 1
1 509 . 2 1 1 A 45 45 SER C C 75 172.300 174.315 -2.015 1
1 510 . 2 1 1 A 45 45 SER CA C 75 56.800 58.720 -1.920 1
1 511 . 2 1 1 A 45 45 SER CB C 75 60.900 62.836 -1.936 1
1 512 . 2 1 1 A 45 45 SER N N 75 114.400 114.251 0.149 1
1 513 . 2 1 1 A 46 46 ARG H H 76 7.850 8.194 -0.344 1
1 514 . 2 1 1 A 46 46 ARG HA H 76 4.220 4.145 0.075 1
1 519 . 2 1 1 A 46 46 ARG C C 76 173.500 176.610 -3.110 1
1 520 . 2 1 1 A 46 46 ARG CA C 76 53.900 56.452 -2.552 1
1 521 . 2 1 1 A 46 46 ARG CB C 76 27.800 30.933 -3.133 1
1 524 . 2 1 1 A 46 46 ARG N N 76 120.600 122.989 -2.389 1
1 525 . 2 1 1 A 47 47 LYS H H 77 7.900 8.325 -0.425 1
1 526 . 2 1 1 A 47 47 LYS HA H 77 4.320 4.126 0.194 1
1 533 . 2 1 1 A 47 47 LYS C C 77 173.600 176.229 -2.629 1
1 534 . 2 1 1 A 47 47 LYS CA C 77 53.400 56.739 -3.339 1
1 535 . 2 1 1 A 47 47 LYS CB C 77 30.500 32.139 -1.639 1
1 539 . 2 1 1 A 47 47 LYS N N 77 119.100 121.744 -2.644 1
1 540 . 2 1 1 A 48 48 THR H H 78 7.840 8.559 -0.719 1
1 541 . 2 1 1 A 48 48 THR HA H 78 4.390 4.839 -0.449 1
1 546 . 2 1 1 A 48 48 THR C C 78 174.000 173.052 0.948 1
1 547 . 2 1 1 A 48 48 THR CA C 78 59.500 58.866 0.634 1
1 548 . 2 1 1 A 48 48 THR CB C 78 66.600 69.604 -3.004 1
1 550 . 2 1 1 A 48 48 THR N N 78 116.200 120.425 -4.225 1
1 551 . 2 1 1 A 49 49 PRO HA H 79 4.410 4.710 -0.300 1
1 557 . 2 1 1 A 49 49 PRO CA C 79 60.800 62.827 -2.027 1
1 558 . 2 1 1 A 49 49 PRO CB C 79 28.900 32.686 -3.786 1
1 561 . 2 1 1 A 50 50 ILE H H 80 7.850 8.616 -0.766 1
1 562 . 2 1 1 A 50 50 ILE HA H 80 3.880 3.822 0.058 1
1 572 . 2 1 1 A 50 50 ILE C C 80 173.500 177.614 -4.114 1
1 573 . 2 1 1 A 50 50 ILE CA C 80 59.800 64.362 -4.562 1
1 574 . 2 1 1 A 50 50 ILE CB C 80 35.600 37.694 -2.094 1
1 578 . 2 1 1 A 50 50 ILE N N 80 119.400 123.306 -3.906 1
1 579 . 2 1 1 A 51 51 PHE H H 81 7.730 8.550 -0.820 1
1 580 . 2 1 1 A 51 51 PHE HA H 81 4.500 4.139 0.361 1
1 585 . 2 1 1 A 51 51 PHE CA C 81 56.200 61.764 -5.564 1
1 586 . 2 1 1 A 51 51 PHE CB C 81 36.500 39.117 -2.617 1
1 590 . 2 1 1 A 51 51 PHE N N 81 118.900 123.482 -4.582 1
1 591 . 2 1 1 A 52 52 ILE H H 82 7.420 8.260 -0.840 1
1 592 . 2 1 1 A 52 52 ILE HA H 82 3.880 3.713 0.167 1
1 602 . 2 1 1 A 52 52 ILE C C 82 173.800 178.261 -4.461 1
1 603 . 2 1 1 A 52 52 ILE CA C 82 59.700 65.226 -5.526 1
1 604 . 2 1 1 A 52 52 ILE CB C 82 35.400 38.117 -2.717 1
1 608 . 2 1 1 A 52 52 ILE N N 82 118.000 120.357 -2.357 1
1 609 . 2 1 1 A 53 53 ILE H H 83 7.540 8.058 -0.518 1
1 610 . 2 1 1 A 53 53 ILE HA H 83 3.890 3.573 0.317 1
1 620 . 2 1 1 A 53 53 ILE C C 83 174.300 178.053 -3.753 1
1 621 . 2 1 1 A 53 53 ILE CA C 83 59.800 65.206 -5.406 1
1 622 . 2 1 1 A 53 53 ILE CB C 83 35.600 37.405 -1.805 1
1 626 . 2 1 1 A 53 53 ILE N N 83 119.300 120.131 -0.831 1
1 627 . 2 1 1 A 54 54 ASN H H 84 8.030 8.620 -0.590 1
1 628 . 2 1 1 A 54 54 ASN HA H 84 4.620 4.334 0.286 1
1 631 . 2 1 1 A 54 54 ASN CA C 84 51.500 56.740 -5.240 1
1 632 . 2 1 1 A 54 54 ASN CB C 84 36.500 39.695 -3.195 1
1 633 . 2 1 1 A 54 54 ASN N N 84 118.300 119.338 -1.038 1
1 634 . 2 1 1 A 55 55 GLN H H 85 8.040 8.098 -0.058 1
1 635 . 2 1 1 A 55 55 GLN HA H 85 4.210 3.984 0.226 1
1 639 . 2 1 1 A 55 55 GLN CA C 85 54.400 59.109 -4.709 1
1 640 . 2 1 1 A 55 55 GLN CB C 85 25.600 28.427 -2.827 1
1 642 . 2 1 1 A 56 56 VAL H H 86 7.720 8.396 -0.676 1
1 643 . 2 1 1 A 56 56 VAL HA H 86 3.800 3.756 0.044 1
1 651 . 2 1 1 A 56 56 VAL C C 86 174.200 178.164 -3.964 1
1 652 . 2 1 1 A 56 56 VAL CA C 86 62.700 67.055 -4.355 1
1 653 . 2 1 1 A 56 56 VAL CB C 86 29.100 31.579 -2.479 1
1 656 . 2 1 1 A 56 56 VAL N N 86 118.700 121.005 -2.305 1
1 657 . 2 1 1 A 57 57 SER H H 87 8.080 8.492 -0.412 1
1 658 . 2 1 1 A 57 57 SER HA H 87 4.200 4.114 0.086 1
1 660 . 2 1 1 A 57 57 SER C C 87 173.800 176.137 -2.337 1
1 661 . 2 1 1 A 57 57 SER CA C 87 58.400 62.129 -3.729 1
1 662 . 2 1 1 A 57 57 SER CB C 87 60.000 63.069 -3.069 1
1 663 . 2 1 1 A 57 57 SER N N 87 115.300 115.142 0.158 1
1 664 . 2 1 1 A 58 58 LEU H H 88 7.780 8.310 -0.530 1
1 665 . 2 1 1 A 58 58 LEU HA H 88 4.060 3.869 0.191 1
1 675 . 2 1 1 A 58 58 LEU CA C 88 55.300 58.177 -2.877 1
1 676 . 2 1 1 A 58 58 LEU CB C 88 39.200 41.625 -2.425 1
1 680 . 2 1 1 A 58 58 LEU N N 88 121.900 121.134 0.766 1
1 681 . 2 1 1 A 59 59 PHE H H 89 7.980 8.394 -0.414 1
1 682 . 2 1 1 A 59 59 PHE HA H 89 4.190 4.331 -0.141 1
1 687 . 2 1 1 A 59 59 PHE C C 89 174.600 178.311 -3.711 1
1 688 . 2 1 1 A 59 59 PHE CA C 89 58.300 60.776 -2.476 1
1 689 . 2 1 1 A 59 59 PHE CB C 89 35.900 39.239 -3.339 1
1 693 . 2 1 1 A 59 59 PHE N N 89 117.100 118.431 -1.331 1
1 694 . 2 1 1 A 60 60 LEU H H 90 8.010 8.415 -0.405 1
1 695 . 2 1 1 A 60 60 LEU HA H 90 3.870 3.874 -0.004 1
1 705 . 2 1 1 A 60 60 LEU C C 90 176.800 179.099 -2.299 1
1 706 . 2 1 1 A 60 60 LEU CA C 90 55.400 58.234 -2.834 1
1 707 . 2 1 1 A 60 60 LEU CB C 90 38.900 41.774 -2.874 1
1 711 . 2 1 1 A 60 60 LEU N N 90 117.700 119.411 -1.711 1
1 712 . 2 1 1 A 61 61 ILE H H 91 7.910 7.971 -0.061 1
1 713 . 2 1 1 A 61 61 ILE HA H 91 3.790 3.607 0.183 1
1 723 . 2 1 1 A 61 61 ILE CA C 91 62.500 65.611 -3.111 1
1 724 . 2 1 1 A 61 61 ILE CB C 91 35.400 37.855 -2.455 1
1 728 . 2 1 1 A 61 61 ILE N N 91 118.400 119.457 -1.057 1
1 729 . 2 1 1 A 62 62 ILE H H 92 7.930 8.404 -0.474 1
1 730 . 2 1 1 A 62 62 ILE HA H 92 3.620 3.550 0.070 1
1 740 . 2 1 1 A 62 62 ILE C C 92 175.000 178.690 -3.690 1
1 741 . 2 1 1 A 62 62 ILE CA C 92 62.800 65.597 -2.797 1
1 742 . 2 1 1 A 62 62 ILE CB C 92 34.600 37.947 -3.347 1
1 746 . 2 1 1 A 62 62 ILE N N 92 121.800 120.325 1.475 1
1 747 . 2 1 1 A 63 63 LEU H H 93 8.250 8.612 -0.362 1
1 748 . 2 1 1 A 63 63 LEU HA H 93 3.880 3.993 -0.113 1
1 758 . 2 1 1 A 63 63 LEU C C 93 175.900 179.003 -3.103 1
1 759 . 2 1 1 A 63 63 LEU CA C 93 55.800 58.411 -2.611 1
1 760 . 2 1 1 A 63 63 LEU CB C 93 39.100 42.207 -3.107 1
1 764 . 2 1 1 A 63 63 LEU N N 93 119.800 119.730 0.070 1
1 765 . 2 1 1 A 64 64 HIS H H 94 8.330 8.581 -0.251 1
1 766 . 2 1 1 A 64 64 HIS HA H 94 4.290 4.183 0.107 1
1 770 . 2 1 1 A 64 64 HIS C C 94 175.200 176.853 -1.653 1
1 771 . 2 1 1 A 64 64 HIS CA C 94 56.000 59.994 -3.994 1
1 772 . 2 1 1 A 64 64 HIS CB C 94 25.900 29.457 -3.557 1
1 775 . 2 1 1 A 64 64 HIS N N 94 114.700 118.697 -3.997 1
1 776 . 2 1 1 A 65 65 SER H H 95 8.150 8.750 -0.600 1
1 777 . 2 1 1 A 65 65 SER HA H 95 4.250 3.836 0.414 1
1 779 . 2 1 1 A 65 65 SER C C 95 172.500 177.271 -4.771 1
1 780 . 2 1 1 A 65 65 SER CA C 95 59.900 61.806 -1.906 1
1 781 . 2 1 1 A 65 65 SER CB C 95 60.500 63.063 -2.563 1
1 782 . 2 1 1 A 65 65 SER N N 95 116.200 114.081 2.119 1
1 783 . 2 1 1 A 66 66 ALA H H 96 8.220 8.368 -0.148 1
1 784 . 2 1 1 A 66 66 ALA HA H 96 4.080 4.340 -0.260 1
1 788 . 2 1 1 A 66 66 ALA C C 96 176.400 179.958 -3.558 1
1 789 . 2 1 1 A 66 66 ALA CA C 96 52.600 55.191 -2.591 1
1 790 . 2 1 1 A 66 66 ALA CB C 96 15.600 18.145 -2.545 1
1 791 . 2 1 1 A 66 66 ALA N N 96 123.500 123.115 0.385 1
1 792 . 2 1 1 A 67 67 LEU H H 97 7.870 8.529 -0.659 1
1 793 . 2 1 1 A 67 67 LEU HA H 97 3.980 3.981 -0.001 1
1 803 . 2 1 1 A 67 67 LEU C C 97 176.700 178.872 -2.172 1
1 804 . 2 1 1 A 67 67 LEU CA C 97 55.000 57.949 -2.949 1
1 805 . 2 1 1 A 67 67 LEU CB C 97 38.700 42.289 -3.589 1
1 809 . 2 1 1 A 67 67 LEU N N 97 115.800 118.905 -3.105 1
1 810 . 2 1 1 A 68 68 TYR H H 98 7.830 8.717 -0.887 1
1 811 . 2 1 1 A 68 68 TYR HA H 98 4.320 4.148 0.172 1
1 816 . 2 1 1 A 68 68 TYR C C 98 174.900 177.510 -2.610 1
1 817 . 2 1 1 A 68 68 TYR CA C 98 58.200 61.777 -3.577 1
1 818 . 2 1 1 A 68 68 TYR CB C 98 35.500 38.358 -2.858 1
1 821 . 2 1 1 A 68 68 TYR N N 98 120.300 119.043 1.257 1
1 822 . 2 1 1 A 69 69 PHE H H 99 8.110 8.653 -0.543 1
1 823 . 2 1 1 A 69 69 PHE HA H 99 4.200 4.298 -0.098 1
1 828 . 2 1 1 A 69 69 PHE C C 99 173.600 177.168 -3.568 1
1 829 . 2 1 1 A 69 69 PHE CA C 99 58.400 61.813 -3.413 1
1 830 . 2 1 1 A 69 69 PHE CB C 99 36.100 39.373 -3.273 1
1 834 . 2 1 1 A 69 69 PHE N N 99 117.600 121.384 -3.784 1
1 835 . 2 1 1 A 70 70 LYS H H 100 8.030 8.299 -0.269 1
1 836 . 2 1 1 A 70 70 LYS HA H 100 3.800 3.775 0.025 1
1 843 . 2 1 1 A 70 70 LYS C C 100 175.700 178.561 -2.861 1
1 844 . 2 1 1 A 70 70 LYS CA C 100 57.300 59.505 -2.205 1
1 845 . 2 1 1 A 70 70 LYS CB C 100 29.500 32.225 -2.725 1
1 849 . 2 1 1 A 70 70 LYS N N 100 118.300 117.589 0.711 1
1 850 . 2 1 1 A 71 71 TYR H H 101 7.720 8.502 -0.782 1
1 851 . 2 1 1 A 71 71 TYR HA H 101 4.210 4.017 0.193 1
1 856 . 2 1 1 A 71 71 TYR C C 101 175.300 177.292 -1.992 1
1 857 . 2 1 1 A 71 71 TYR CA C 101 57.800 61.284 -3.484 1
1 858 . 2 1 1 A 71 71 TYR CB C 101 34.700 38.694 -3.994 1
1 861 . 2 1 1 A 71 71 TYR N N 101 119.600 121.247 -1.647 1
1 862 . 2 1 1 A 72 72 LEU H H 102 7.950 8.445 -0.495 1
1 863 . 2 1 1 A 72 72 LEU HA H 102 3.800 3.673 0.127 1
1 870 . 2 1 1 A 72 72 LEU C C 102 176.300 178.970 -2.670 1
1 871 . 2 1 1 A 72 72 LEU CA C 102 55.100 58.221 -3.121 1
1 872 . 2 1 1 A 72 72 LEU CB C 102 39.500 41.813 -2.313 1
1 876 . 2 1 1 A 72 72 LEU N N 102 121.000 120.649 0.351 1
1 877 . 2 1 1 A 73 73 LEU H H 103 7.870 7.895 -0.025 1
1 878 . 2 1 1 A 73 73 LEU HA H 103 4.030 4.072 -0.042 1
1 888 . 2 1 1 A 73 73 LEU C C 103 176.200 178.888 -2.688 1
1 889 . 2 1 1 A 73 73 LEU CA C 103 54.500 58.023 -3.523 1
1 890 . 2 1 1 A 73 73 LEU CB C 103 39.200 41.201 -2.001 1
1 894 . 2 1 1 A 73 73 LEU N N 103 116.900 117.830 -0.930 1
1 895 . 2 1 1 A 74 74 SER H H 104 7.780 8.364 -0.584 1
1 896 . 2 1 1 A 74 74 SER HA H 104 4.230 4.206 0.024 1
1 898 . 2 1 1 A 74 74 SER C C 104 172.800 175.507 -2.707 1
1 899 . 2 1 1 A 74 74 SER CA C 104 57.900 61.730 -3.830 1
1 900 . 2 1 1 A 74 74 SER CB C 104 60.800 62.831 -2.031 1
1 901 . 2 1 1 A 74 74 SER N N 104 113.200 116.276 -3.076 1
1 902 . 2 1 1 A 75 75 ASN H H 105 7.720 7.534 0.186 1
1 903 . 2 1 1 A 75 75 ASN HA H 105 4.530 4.766 -0.236 1
1 906 . 2 1 1 A 75 75 ASN C C 105 173.100 177.024 -3.924 1
1 907 . 2 1 1 A 75 75 ASN CA C 105 51.800 54.548 -2.748 1
1 908 . 2 1 1 A 75 75 ASN CB C 105 36.600 39.124 -2.524 1
1 909 . 2 1 1 A 75 75 ASN N N 105 118.400 118.892 -0.492 1
1 910 . 2 1 1 A 76 76 TYR H H 106 7.720 7.975 -0.255 1
1 911 . 2 1 1 A 76 76 TYR HA H 106 4.380 4.331 0.049 1
1 916 . 2 1 1 A 76 76 TYR C C 106 173.000 177.098 -4.098 1
1 917 . 2 1 1 A 76 76 TYR CA C 106 56.700 59.950 -3.250 1
1 918 . 2 1 1 A 76 76 TYR CB C 106 36.100 38.082 -1.982 1
1 921 . 2 1 1 A 76 76 TYR N N 106 118.900 118.788 0.112 1
1 922 . 2 1 1 A 77 77 SER H H 107 7.650 7.830 -0.180 1
1 923 . 2 1 1 A 77 77 SER HA H 107 4.330 4.442 -0.112 1
1 926 . 2 1 1 A 77 77 SER C C 107 171.800 173.243 -1.443 1
1 927 . 2 1 1 A 77 77 SER CA C 107 55.800 57.522 -1.722 1
1 928 . 2 1 1 A 77 77 SER CB C 107 61.400 62.146 -0.746 1
1 929 . 2 1 1 A 77 77 SER N N 107 114.300 113.749 0.551 1
1 930 . 2 1 1 A 78 78 SER H H 108 7.940 8.525 -0.585 1
1 931 . 2 1 1 A 78 78 SER HA H 108 4.440 5.088 -0.648 1
1 933 . 2 1 1 A 78 78 SER C C 108 171.900 172.965 -1.065 1
1 934 . 2 1 1 A 78 78 SER CA C 108 55.800 57.508 -1.708 1
1 935 . 2 1 1 A 78 78 SER CB C 108 61.200 64.439 -3.239 1
1 936 . 2 1 1 A 78 78 SER N N 108 116.600 122.431 -5.831 1
1 937 . 2 1 1 A 79 79 VAL H H 109 7.850 8.160 -0.310 1
1 938 . 2 1 1 A 79 79 VAL HA H 109 4.170 4.595 -0.425 1
1 943 . 2 1 1 A 79 79 VAL C C 109 172.900 173.766 -0.866 1
1 944 . 2 1 1 A 79 79 VAL CA C 109 59.900 60.602 -0.702 1
1 945 . 2 1 1 A 79 79 VAL CB C 109 29.900 34.427 -4.527 1
1 948 . 2 1 1 A 79 79 VAL N N 109 120.200 124.174 -3.974 1
1 3 . 3 1 1 A 2 2 ASN HA H 32 4.710 5.253 -0.543 1
1 6 . 3 1 1 A 2 2 ASN CA C 32 50.800 52.295 -1.495 1
1 7 . 3 1 1 A 2 2 ASN CB C 32 36.400 42.633 -6.233 1
1 8 . 3 1 1 A 3 3 GLY H H 33 8.470 8.611 -0.141 1
1 9 . 3 1 1 A 3 3 GLY HA2 H 33 3.890 4.226 -0.336 1
1 10 . 3 1 1 A 3 3 GLY HA3 H 33 3.990 4.226 -0.236 1
1 11 . 3 1 1 A 3 3 GLY C C 33 171.500 173.151 -1.651 1
1 12 . 3 1 1 A 3 3 GLY CA C 33 42.900 44.136 -1.236 1
1 13 . 3 1 1 A 3 3 GLY N N 33 109.300 109.680 -0.380 1
1 14 . 3 1 1 A 4 4 SER H H 34 8.020 8.503 -0.483 1
1 15 . 3 1 1 A 4 4 SER HA H 34 4.480 4.472 0.008 1
1 17 . 3 1 1 A 4 4 SER C C 34 171.700 174.464 -2.764 1
1 18 . 3 1 1 A 4 4 SER CA C 34 55.600 59.712 -4.112 1
1 19 . 3 1 1 A 4 4 SER CB C 34 61.400 62.953 -1.553 1
1 20 . 3 1 1 A 4 4 SER N N 34 115.200 116.205 -1.005 1
1 21 . 3 1 1 A 5 5 THR H H 35 8.030 8.970 -0.940 1
1 22 . 3 1 1 A 5 5 THR HA H 35 4.300 4.576 -0.276 1
1 27 . 3 1 1 A 5 5 THR C C 35 171.400 173.705 -2.305 1
1 28 . 3 1 1 A 5 5 THR CA C 35 59.500 61.325 -1.825 1
1 29 . 3 1 1 A 5 5 THR CB C 35 67.200 69.433 -2.233 1
1 31 . 3 1 1 A 5 5 THR N N 35 115.600 121.955 -6.355 1
1 32 . 3 1 1 A 6 6 ILE H H 36 7.850 7.483 0.367 1
1 33 . 3 1 1 A 6 6 ILE HA H 36 4.260 4.593 -0.333 1
1 43 . 3 1 1 A 6 6 ILE C C 36 171.900 175.541 -3.641 1
1 44 . 3 1 1 A 6 6 ILE CA C 36 58.200 59.575 -1.375 1
1 45 . 3 1 1 A 6 6 ILE CB C 36 36.500 41.132 -4.632 1
1 49 . 3 1 1 A 6 6 ILE N N 36 122.000 122.115 -0.115 1
1 50 . 3 1 1 A 7 7 THR H H 37 7.680 8.321 -0.641 1
1 51 . 3 1 1 A 7 7 THR HA H 37 4.570 4.317 0.253 1
1 56 . 3 1 1 A 7 7 THR C C 37 172.800 176.119 -3.319 1
1 57 . 3 1 1 A 7 7 THR CA C 37 57.400 61.097 -3.697 1
1 58 . 3 1 1 A 7 7 THR CB C 37 68.700 70.542 -1.842 1
1 60 . 3 1 1 A 7 7 THR N N 37 114.700 117.664 -2.964 1
1 61 . 3 1 1 A 8 8 PHE H H 38 8.830 8.635 0.195 1
1 62 . 3 1 1 A 8 8 PHE HA H 38 4.250 4.271 -0.021 1
1 67 . 3 1 1 A 8 8 PHE C C 38 174.700 176.858 -2.158 1
1 68 . 3 1 1 A 8 8 PHE CA C 38 58.400 60.286 -1.886 1
1 69 . 3 1 1 A 8 8 PHE CB C 38 36.000 38.119 -2.119 1
1 73 . 3 1 1 A 8 8 PHE N N 38 120.900 121.023 -0.123 1
1 74 . 3 1 1 A 9 9 ASP H H 39 8.400 7.814 0.586 1
1 75 . 3 1 1 A 9 9 ASP HA H 39 4.280 4.315 -0.035 1
1 77 . 3 1 1 A 9 9 ASP C C 39 176.100 178.864 -2.764 1
1 78 . 3 1 1 A 9 9 ASP CA C 39 54.500 57.267 -2.767 1
1 79 . 3 1 1 A 9 9 ASP CB C 39 37.800 40.220 -2.420 1
1 80 . 3 1 1 A 9 9 ASP N N 39 117.400 121.778 -4.378 1
1 81 . 3 1 1 A 10 10 GLU H H 40 7.740 7.691 0.049 1
1 82 . 3 1 1 A 10 10 GLU HA H 40 4.090 4.053 0.037 1
1 86 . 3 1 1 A 10 10 GLU C C 40 176.100 179.357 -3.257 1
1 87 . 3 1 1 A 10 10 GLU CA C 40 55.700 59.333 -3.633 1
1 88 . 3 1 1 A 10 10 GLU CB C 40 26.800 29.341 -2.541 1
1 90 . 3 1 1 A 10 10 GLU N N 40 118.800 119.580 -0.780 1
1 91 . 3 1 1 A 11 11 LEU H H 41 7.770 7.995 -0.225 1
1 92 . 3 1 1 A 11 11 LEU HA H 41 4.040 3.957 0.083 1
1 102 . 3 1 1 A 11 11 LEU C C 41 175.500 179.151 -3.651 1
1 103 . 3 1 1 A 11 11 LEU CA C 41 54.600 57.868 -3.268 1
1 104 . 3 1 1 A 11 11 LEU CB C 41 39.200 41.423 -2.223 1
1 108 . 3 1 1 A 11 11 LEU N N 41 119.500 120.287 -0.787 1
1 109 . 3 1 1 A 12 12 GLN H H 42 8.070 8.626 -0.556 1
1 110 . 3 1 1 A 12 12 GLN HA H 42 3.770 4.083 -0.313 1
1 114 . 3 1 1 A 12 12 GLN C C 42 175.400 179.536 -4.136 1
1 115 . 3 1 1 A 12 12 GLN CA C 42 56.500 58.991 -2.491 1
1 116 . 3 1 1 A 12 12 GLN CB C 42 25.800 28.337 -2.537 1
1 118 . 3 1 1 A 12 12 GLN N N 42 116.800 116.501 0.299 1
1 119 . 3 1 1 A 13 13 GLY H H 43 7.810 8.763 -0.953 1
1 120 . 3 1 1 A 13 13 GLY HA2 H 43 3.850 3.722 0.128 1
1 121 . 3 1 1 A 13 13 GLY HA3 H 43 3.910 3.726 0.184 1
1 122 . 3 1 1 A 13 13 GLY C C 43 173.000 175.980 -2.980 1
1 123 . 3 1 1 A 13 13 GLY CA C 43 43.800 47.247 -3.447 1
1 124 . 3 1 1 A 13 13 GLY N N 43 105.400 109.809 -4.409 1
1 125 . 3 1 1 A 14 14 LEU H H 44 7.650 8.119 -0.469 1
1 126 . 3 1 1 A 14 14 LEU HA H 44 4.210 3.989 0.221 1
1 136 . 3 1 1 A 14 14 LEU C C 44 176.000 178.622 -2.622 1
1 137 . 3 1 1 A 14 14 LEU CA C 44 54.200 58.281 -4.081 1
1 138 . 3 1 1 A 14 14 LEU CB C 44 40.000 41.287 -1.287 1
1 142 . 3 1 1 A 14 14 LEU N N 44 120.900 121.656 -0.756 1
1 143 . 3 1 1 A 15 15 VAL H H 45 7.760 7.711 0.049 1
1 144 . 3 1 1 A 15 15 VAL HA H 45 3.740 3.969 -0.229 1
1 152 . 3 1 1 A 15 15 VAL C C 45 173.100 177.758 -4.658 1
1 153 . 3 1 1 A 15 15 VAL CA C 45 61.800 65.266 -3.466 1
1 154 . 3 1 1 A 15 15 VAL CB C 45 29.100 31.360 -2.260 1
1 157 . 3 1 1 A 15 15 VAL N N 45 117.200 116.790 0.410 1
1 158 . 3 1 1 A 16 16 ASN H H 46 7.820 8.240 -0.420 1
1 159 . 3 1 1 A 16 16 ASN HA H 46 4.600 4.586 0.014 1
1 161 . 3 1 1 A 16 16 ASN CA C 46 51.400 55.949 -4.549 1
1 162 . 3 1 1 A 16 16 ASN CB C 46 36.000 38.736 -2.736 1
1 163 . 3 1 1 A 16 16 ASN N N 46 118.400 120.006 -1.606 1
1 164 . 3 1 1 A 17 17 SER H H 47 8.160 7.393 0.767 1
1 165 . 3 1 1 A 17 17 SER HA H 47 4.380 4.642 -0.262 1
1 168 . 3 1 1 A 17 17 SER CA C 47 57.900 57.567 0.333 1
1 169 . 3 1 1 A 17 17 SER CB C 47 61.000 63.090 -2.090 1
1 170 . 3 1 1 A 18 18 THR H H 48 8.130 7.821 0.309 1
1 171 . 3 1 1 A 18 18 THR HA H 48 3.990 4.558 -0.568 1
1 176 . 3 1 1 A 18 18 THR C C 48 173.800 175.037 -1.237 1
1 177 . 3 1 1 A 18 18 THR CA C 48 63.500 63.853 -0.353 1
1 178 . 3 1 1 A 18 18 THR CB C 48 66.000 70.598 -4.598 1
1 180 . 3 1 1 A 18 18 THR N N 48 118.300 118.067 0.233 1
1 181 . 3 1 1 A 19 19 VAL H H 49 8.100 8.443 -0.343 1
1 182 . 3 1 1 A 19 19 VAL HA H 49 3.640 3.813 -0.173 1
1 190 . 3 1 1 A 19 19 VAL C C 49 174.700 177.971 -3.271 1
1 191 . 3 1 1 A 19 19 VAL CA C 49 64.000 65.181 -1.181 1
1 192 . 3 1 1 A 19 19 VAL CB C 49 29.000 31.531 -2.531 1
1 195 . 3 1 1 A 19 19 VAL N N 49 120.800 121.170 -0.370 1
1 196 . 3 1 1 A 20 20 THR H H 50 7.830 8.231 -0.401 1
1 197 . 3 1 1 A 20 20 THR HA H 50 3.740 3.856 -0.116 1
1 202 . 3 1 1 A 20 20 THR C C 50 173.800 176.834 -3.034 1
1 203 . 3 1 1 A 20 20 THR CA C 50 64.400 65.057 -0.657 1
1 204 . 3 1 1 A 20 20 THR CB C 50 65.500 68.610 -3.110 1
1 206 . 3 1 1 A 20 20 THR N N 50 114.000 116.497 -2.497 1
1 207 . 3 1 1 A 21 21 GLN H H 51 7.920 7.957 -0.037 1
1 208 . 3 1 1 A 21 21 GLN HA H 51 3.970 4.082 -0.112 1
1 211 . 3 1 1 A 21 21 GLN C C 51 175.900 178.115 -2.215 1
1 212 . 3 1 1 A 21 21 GLN CA C 51 56.300 58.617 -2.317 1
1 213 . 3 1 1 A 21 21 GLN CB C 51 25.700 28.675 -2.975 1
1 215 . 3 1 1 A 21 21 GLN N N 51 118.400 120.687 -2.287 1
1 216 . 3 1 1 A 22 22 ALA H H 52 7.960 7.839 0.121 1
1 217 . 3 1 1 A 22 22 ALA HA H 52 4.160 4.148 0.012 1
1 221 . 3 1 1 A 22 22 ALA C C 52 176.800 180.078 -3.278 1
1 222 . 3 1 1 A 22 22 ALA CA C 52 52.800 55.273 -2.473 1
1 223 . 3 1 1 A 22 22 ALA CB C 52 15.700 18.386 -2.686 1
1 224 . 3 1 1 A 22 22 ALA N N 52 122.200 121.946 0.254 1
1 225 . 3 1 1 A 23 23 ILE H H 53 8.100 8.028 0.072 1
1 226 . 3 1 1 A 23 23 ILE HA H 53 3.660 3.620 0.040 1
1 236 . 3 1 1 A 23 23 ILE C C 53 175.300 178.224 -2.924 1
1 237 . 3 1 1 A 23 23 ILE CA C 53 62.700 65.252 -2.552 1
1 238 . 3 1 1 A 23 23 ILE CB C 53 35.100 38.168 -3.068 1
1 242 . 3 1 1 A 23 23 ILE N N 53 117.500 118.565 -1.065 1
1 243 . 3 1 1 A 24 24 LEU H H 54 8.160 7.866 0.294 1
1 244 . 3 1 1 A 24 24 LEU HA H 54 3.970 3.909 0.061 1
1 254 . 3 1 1 A 24 24 LEU C C 54 176.600 178.925 -2.325 1
1 255 . 3 1 1 A 24 24 LEU CA C 54 55.500 58.256 -2.756 1
1 256 . 3 1 1 A 24 24 LEU CB C 54 38.700 41.525 -2.825 1
1 260 . 3 1 1 A 24 24 LEU N N 54 118.900 118.826 0.074 1
1 261 . 3 1 1 A 25 25 PHE H H 55 8.200 8.859 -0.659 1
1 262 . 3 1 1 A 25 25 PHE HA H 55 4.240 4.140 0.100 1
1 267 . 3 1 1 A 25 25 PHE C C 55 176.300 178.121 -1.821 1
1 268 . 3 1 1 A 25 25 PHE CA C 55 58.500 61.560 -3.060 1
1 269 . 3 1 1 A 25 25 PHE CB C 55 36.300 39.133 -2.833 1
1 273 . 3 1 1 A 25 25 PHE N N 55 119.100 118.539 0.561 1
1 274 . 3 1 1 A 26 26 GLY H H 56 8.570 8.784 -0.214 1
1 275 . 3 1 1 A 26 26 GLY HA2 H 56 3.580 3.539 0.041 1
1 276 . 3 1 1 A 26 26 GLY HA3 H 56 3.670 3.616 0.054 1
1 277 . 3 1 1 A 26 26 GLY C C 56 172.200 175.808 -3.608 1
1 278 . 3 1 1 A 26 26 GLY CA C 56 44.900 46.964 -2.064 1
1 279 . 3 1 1 A 26 26 GLY N N 56 108.900 106.410 2.490 1
1 280 . 3 1 1 A 27 27 VAL H H 57 8.550 8.141 0.409 1
1 281 . 3 1 1 A 27 27 VAL HA H 57 3.640 3.639 0.001 1
1 289 . 3 1 1 A 27 27 VAL C C 57 175.000 177.788 -2.788 1
1 290 . 3 1 1 A 27 27 VAL CA C 57 63.800 65.991 -2.191 1
1 291 . 3 1 1 A 27 27 VAL CB C 57 29.000 31.490 -2.490 1
1 294 . 3 1 1 A 27 27 VAL N N 57 120.000 122.225 -2.225 1
1 295 . 3 1 1 A 28 28 ARG H H 58 8.030 8.028 0.002 1
1 296 . 3 1 1 A 28 28 ARG HA H 58 4.020 4.034 -0.014 1
1 301 . 3 1 1 A 28 28 ARG C C 58 176.700 178.482 -1.782 1
1 302 . 3 1 1 A 28 28 ARG CA C 58 56.700 58.457 -1.757 1
1 303 . 3 1 1 A 28 28 ARG CB C 58 27.600 30.247 -2.647 1
1 306 . 3 1 1 A 28 28 ARG N N 58 118.300 120.665 -2.365 1
1 307 . 3 1 1 A 29 29 SER H H 59 8.020 7.995 0.025 1
1 308 . 3 1 1 A 29 29 SER HA H 59 4.280 4.024 0.256 1
1 310 . 3 1 1 A 29 29 SER C C 59 173.300 176.841 -3.541 1
1 311 . 3 1 1 A 29 29 SER CA C 59 58.200 62.269 -4.069 1
1 312 . 3 1 1 A 29 29 SER CB C 59 60.700 62.130 -1.430 1
1 313 . 3 1 1 A 29 29 SER N N 59 114.700 116.901 -2.201 1
1 314 . 3 1 1 A 30 30 GLY H H 60 8.310 8.406 -0.096 1
1 315 . 3 1 1 A 30 30 GLY HA2 H 60 3.630 3.758 -0.128 1
1 316 . 3 1 1 A 30 30 GLY HA3 H 60 3.750 3.761 -0.011 1
1 317 . 3 1 1 A 30 30 GLY C C 60 171.900 176.166 -4.266 1
1 318 . 3 1 1 A 30 30 GLY CA C 60 44.500 47.224 -2.724 1
1 319 . 3 1 1 A 30 30 GLY N N 60 109.700 110.328 -0.628 1
1 320 . 3 1 1 A 31 31 ALA H H 61 8.330 8.100 0.230 1
1 321 . 3 1 1 A 31 31 ALA HA H 61 3.970 4.099 -0.129 1
1 325 . 3 1 1 A 31 31 ALA C C 61 177.200 179.828 -2.628 1
1 326 . 3 1 1 A 31 31 ALA CA C 61 52.900 54.793 -1.893 1
1 327 . 3 1 1 A 31 31 ALA CB C 61 15.500 18.320 -2.820 1
1 328 . 3 1 1 A 31 31 ALA N N 61 122.700 124.511 -1.811 1
1 329 . 3 1 1 A 32 32 ALA H H 62 7.860 8.414 -0.554 1
1 330 . 3 1 1 A 32 32 ALA HA H 62 4.120 4.015 0.105 1
1 334 . 3 1 1 A 32 32 ALA C C 62 177.400 179.551 -2.151 1
1 335 . 3 1 1 A 32 32 ALA CA C 62 52.200 54.997 -2.797 1
1 336 . 3 1 1 A 32 32 ALA CB C 62 15.600 18.267 -2.667 1
1 337 . 3 1 1 A 32 32 ALA N N 62 120.400 120.130 0.270 1
1 338 . 3 1 1 A 33 33 ALA H H 63 7.920 8.149 -0.229 1
1 339 . 3 1 1 A 33 33 ALA HA H 63 4.070 4.072 -0.002 1
1 343 . 3 1 1 A 33 33 ALA C C 63 176.200 179.532 -3.332 1
1 344 . 3 1 1 A 33 33 ALA CA C 63 52.100 55.044 -2.944 1
1 345 . 3 1 1 A 33 33 ALA CB C 63 15.800 18.347 -2.547 1
1 346 . 3 1 1 A 33 33 ALA N N 63 120.100 120.595 -0.495 1
1 347 . 3 1 1 A 34 34 LEU H H 64 8.090 8.103 -0.013 1
1 348 . 3 1 1 A 34 34 LEU HA H 64 3.980 4.093 -0.113 1
1 358 . 3 1 1 A 34 34 LEU C C 64 175.900 178.790 -2.890 1
1 359 . 3 1 1 A 34 34 LEU CA C 64 55.500 57.853 -2.353 1
1 360 . 3 1 1 A 34 34 LEU CB C 64 39.100 41.736 -2.636 1
1 364 . 3 1 1 A 34 34 LEU N N 64 116.400 119.886 -3.486 1
1 365 . 3 1 1 A 35 35 THR H H 65 7.860 8.182 -0.322 1
1 366 . 3 1 1 A 35 35 THR HA H 65 3.770 3.997 -0.227 1
1 371 . 3 1 1 A 35 35 THR C C 65 173.100 176.531 -3.431 1
1 372 . 3 1 1 A 35 35 THR CA C 65 64.600 65.252 -0.652 1
1 373 . 3 1 1 A 35 35 THR CB C 65 66.000 68.867 -2.867 1
1 375 . 3 1 1 A 35 35 THR N N 65 113.500 114.247 -0.747 1
1 376 . 3 1 1 A 36 36 LEU H H 66 7.430 7.978 -0.548 1
1 377 . 3 1 1 A 36 36 LEU HA H 66 4.000 4.116 -0.116 1
1 387 . 3 1 1 A 36 36 LEU C C 66 176.800 178.584 -1.784 1
1 388 . 3 1 1 A 36 36 LEU CA C 66 55.500 58.391 -2.891 1
1 389 . 3 1 1 A 36 36 LEU CB C 66 39.200 41.183 -1.983 1
1 393 . 3 1 1 A 36 36 LEU N N 66 120.200 120.790 -0.590 1
1 394 . 3 1 1 A 37 37 ILE H H 67 7.750 8.225 -0.475 1
1 395 . 3 1 1 A 37 37 ILE HA H 67 3.800 3.761 0.039 1
1 405 . 3 1 1 A 37 37 ILE C C 67 175.000 178.230 -3.230 1
1 406 . 3 1 1 A 37 37 ILE CA C 67 62.600 65.592 -2.992 1
1 407 . 3 1 1 A 37 37 ILE CB C 67 35.300 37.690 -2.390 1
1 411 . 3 1 1 A 37 37 ILE N N 67 119.600 119.223 0.377 1
1 412 . 3 1 1 A 38 38 VAL H H 68 8.250 8.047 0.203 1
1 413 . 3 1 1 A 38 38 VAL HA H 68 3.590 3.637 -0.047 1
1 421 . 3 1 1 A 38 38 VAL C C 68 176.600 177.872 -1.272 1
1 422 . 3 1 1 A 38 38 VAL CA C 68 65.000 66.754 -1.754 1
1 423 . 3 1 1 A 38 38 VAL CB C 68 28.900 31.700 -2.800 1
1 426 . 3 1 1 A 38 38 VAL N N 68 119.600 119.765 -0.165 1
1 427 . 3 1 1 A 39 39 VAL H H 69 8.370 8.574 -0.204 1
1 428 . 3 1 1 A 39 39 VAL HA H 69 3.620 3.737 -0.117 1
1 436 . 3 1 1 A 39 39 VAL C C 69 175.800 177.833 -2.033 1
1 437 . 3 1 1 A 39 39 VAL CA C 69 64.200 65.407 -1.207 1
1 438 . 3 1 1 A 39 39 VAL CB C 69 28.900 31.035 -2.135 1
1 441 . 3 1 1 A 39 39 VAL N N 69 121.700 119.955 1.745 1
1 442 . 3 1 1 A 40 40 TRP H H 70 8.320 8.501 -0.181 1
1 443 . 3 1 1 A 40 40 TRP HA H 70 4.150 4.347 -0.197 1
1 449 . 3 1 1 A 40 40 TRP C C 70 176.600 178.138 -1.538 1
1 450 . 3 1 1 A 40 40 TRP CA C 70 59.700 61.059 -1.359 1
1 451 . 3 1 1 A 40 40 TRP CB C 70 26.400 29.753 -3.353 1
1 454 . 3 1 1 A 40 40 TRP N N 70 122.400 122.954 -0.554 1
1 456 . 3 1 1 A 41 41 ILE H H 71 8.780 8.446 0.334 1
1 457 . 3 1 1 A 41 41 ILE HA H 71 3.510 3.190 0.320 1
1 467 . 3 1 1 A 41 41 ILE C C 71 175.600 178.849 -3.249 1
1 468 . 3 1 1 A 41 41 ILE CA C 71 62.500 64.645 -2.145 1
1 469 . 3 1 1 A 41 41 ILE CB C 71 35.700 37.995 -2.295 1
1 473 . 3 1 1 A 41 41 ILE N N 71 117.500 120.394 -2.894 1
1 474 . 3 1 1 A 42 42 THR H H 72 8.280 7.806 0.474 1
1 475 . 3 1 1 A 42 42 THR HA H 72 4.000 4.018 -0.018 1
1 480 . 3 1 1 A 42 42 THR C C 72 173.800 176.636 -2.836 1
1 481 . 3 1 1 A 42 42 THR CA C 72 62.500 65.422 -2.922 1
1 482 . 3 1 1 A 42 42 THR CB C 72 66.500 68.937 -2.437 1
1 484 . 3 1 1 A 42 42 THR N N 72 110.700 116.075 -5.375 1
1 485 . 3 1 1 A 43 43 SER H H 73 7.810 8.203 -0.393 1
1 486 . 3 1 1 A 43 43 SER HA H 73 4.320 4.382 -0.062 1
1 488 . 3 1 1 A 43 43 SER C C 73 172.800 173.932 -1.132 1
1 489 . 3 1 1 A 43 43 SER CA C 73 57.600 60.534 -2.934 1
1 490 . 3 1 1 A 43 43 SER CB C 73 60.900 63.741 -2.841 1
1 491 . 3 1 1 A 43 43 SER N N 73 115.900 115.134 0.766 1
1 492 . 3 1 1 A 44 44 ARG H H 74 7.490 7.770 -0.280 1
1 493 . 3 1 1 A 44 44 ARG HA H 74 4.120 3.829 0.291 1
1 500 . 3 1 1 A 44 44 ARG C C 74 174.200 175.490 -1.290 1
1 501 . 3 1 1 A 44 44 ARG CA C 74 53.600 56.777 -3.177 1
1 502 . 3 1 1 A 44 44 ARG CB C 74 27.700 27.271 0.429 1
1 505 . 3 1 1 A 44 44 ARG N N 74 120.100 118.795 1.305 1
1 506 . 3 1 1 A 45 45 SER H H 75 7.890 7.906 -0.016 1
1 507 . 3 1 1 A 45 45 SER HA H 75 4.210 4.380 -0.170 1
1 509 . 3 1 1 A 45 45 SER C C 75 172.300 174.964 -2.664 1
1 510 . 3 1 1 A 45 45 SER CA C 75 56.800 60.836 -4.036 1
1 511 . 3 1 1 A 45 45 SER CB C 75 60.900 63.896 -2.996 1
1 512 . 3 1 1 A 45 45 SER N N 75 114.400 114.197 0.203 1
1 513 . 3 1 1 A 46 46 ARG H H 76 7.850 8.931 -1.081 1
1 514 . 3 1 1 A 46 46 ARG HA H 76 4.220 4.198 0.022 1
1 519 . 3 1 1 A 46 46 ARG C C 76 173.500 177.127 -3.627 1
1 520 . 3 1 1 A 46 46 ARG CA C 76 53.900 58.329 -4.429 1
1 521 . 3 1 1 A 46 46 ARG CB C 76 27.800 30.274 -2.474 1
1 524 . 3 1 1 A 46 46 ARG N N 76 120.600 126.723 -6.123 1
1 525 . 3 1 1 A 47 47 LYS H H 77 7.900 8.176 -0.276 1
1 526 . 3 1 1 A 47 47 LYS HA H 77 4.320 4.372 -0.052 1
1 533 . 3 1 1 A 47 47 LYS C C 77 173.600 176.794 -3.194 1
1 534 . 3 1 1 A 47 47 LYS CA C 77 53.400 57.271 -3.871 1
1 535 . 3 1 1 A 47 47 LYS CB C 77 30.500 32.357 -1.857 1
1 539 . 3 1 1 A 47 47 LYS N N 77 119.100 115.869 3.231 1
1 540 . 3 1 1 A 48 48 THR H H 78 7.840 7.094 0.746 1
1 541 . 3 1 1 A 48 48 THR HA H 78 4.390 4.546 -0.156 1
1 546 . 3 1 1 A 48 48 THR C C 78 174.000 173.192 0.808 1
1 547 . 3 1 1 A 48 48 THR CA C 78 59.500 58.699 0.801 1
1 548 . 3 1 1 A 48 48 THR CB C 78 66.600 68.832 -2.232 1
1 550 . 3 1 1 A 48 48 THR N N 78 116.200 109.932 6.268 1
1 551 . 3 1 1 A 49 49 PRO HA H 79 4.410 4.599 -0.189 1
1 557 . 3 1 1 A 49 49 PRO CA C 79 60.800 62.706 -1.906 1
1 558 . 3 1 1 A 49 49 PRO CB C 79 28.900 32.758 -3.858 1
1 561 . 3 1 1 A 50 50 ILE H H 80 7.850 8.627 -0.777 1
1 562 . 3 1 1 A 50 50 ILE HA H 80 3.880 3.785 0.095 1
1 572 . 3 1 1 A 50 50 ILE C C 80 173.500 177.726 -4.226 1
1 573 . 3 1 1 A 50 50 ILE CA C 80 59.800 64.342 -4.542 1
1 574 . 3 1 1 A 50 50 ILE CB C 80 35.600 37.729 -2.129 1
1 578 . 3 1 1 A 50 50 ILE N N 80 119.400 123.200 -3.800 1
1 579 . 3 1 1 A 51 51 PHE H H 81 7.730 8.521 -0.791 1
1 580 . 3 1 1 A 51 51 PHE HA H 81 4.500 4.138 0.362 1
1 585 . 3 1 1 A 51 51 PHE CA C 81 56.200 61.446 -5.246 1
1 586 . 3 1 1 A 51 51 PHE CB C 81 36.500 39.364 -2.864 1
1 590 . 3 1 1 A 51 51 PHE N N 81 118.900 123.571 -4.671 1
1 591 . 3 1 1 A 52 52 ILE H H 82 7.420 8.109 -0.689 1
1 592 . 3 1 1 A 52 52 ILE HA H 82 3.880 3.469 0.411 1
1 602 . 3 1 1 A 52 52 ILE C C 82 173.800 178.085 -4.285 1
1 603 . 3 1 1 A 52 52 ILE CA C 82 59.700 65.076 -5.376 1
1 604 . 3 1 1 A 52 52 ILE CB C 82 35.400 37.980 -2.580 1
1 608 . 3 1 1 A 52 52 ILE N N 82 118.000 120.325 -2.325 1
1 609 . 3 1 1 A 53 53 ILE H H 83 7.540 8.154 -0.614 1
1 610 . 3 1 1 A 53 53 ILE HA H 83 3.890 3.362 0.528 1
1 620 . 3 1 1 A 53 53 ILE C C 83 174.300 177.864 -3.564 1
1 621 . 3 1 1 A 53 53 ILE CA C 83 59.800 65.136 -5.336 1
1 622 . 3 1 1 A 53 53 ILE CB C 83 35.600 37.022 -1.422 1
1 626 . 3 1 1 A 53 53 ILE N N 83 119.300 119.826 -0.526 1
1 627 . 3 1 1 A 54 54 ASN H H 84 8.030 8.555 -0.525 1
1 628 . 3 1 1 A 54 54 ASN HA H 84 4.620 4.277 0.343 1
1 631 . 3 1 1 A 54 54 ASN CA C 84 51.500 56.738 -5.238 1
1 632 . 3 1 1 A 54 54 ASN CB C 84 36.500 39.688 -3.188 1
1 633 . 3 1 1 A 54 54 ASN N N 84 118.300 119.248 -0.948 1
1 634 . 3 1 1 A 55 55 GLN H H 85 8.040 7.779 0.261 1
1 635 . 3 1 1 A 55 55 GLN HA H 85 4.210 3.820 0.390 1
1 639 . 3 1 1 A 55 55 GLN CA C 85 54.400 58.871 -4.471 1
1 640 . 3 1 1 A 55 55 GLN CB C 85 25.600 28.057 -2.457 1
1 642 . 3 1 1 A 56 56 VAL H H 86 7.720 8.225 -0.505 1
1 643 . 3 1 1 A 56 56 VAL HA H 86 3.800 3.608 0.192 1
1 651 . 3 1 1 A 56 56 VAL C C 86 174.200 177.845 -3.645 1
1 652 . 3 1 1 A 56 56 VAL CA C 86 62.700 66.920 -4.220 1
1 653 . 3 1 1 A 56 56 VAL CB C 86 29.100 31.433 -2.333 1
1 656 . 3 1 1 A 56 56 VAL N N 86 118.700 120.604 -1.904 1
1 657 . 3 1 1 A 57 57 SER H H 87 8.080 8.109 -0.029 1
1 658 . 3 1 1 A 57 57 SER HA H 87 4.200 4.105 0.095 1
1 660 . 3 1 1 A 57 57 SER C C 87 173.800 177.419 -3.619 1
1 661 . 3 1 1 A 57 57 SER CA C 87 58.400 61.691 -3.291 1
1 662 . 3 1 1 A 57 57 SER CB C 87 60.000 63.135 -3.135 1
1 663 . 3 1 1 A 57 57 SER N N 87 115.300 115.002 0.298 1
1 664 . 3 1 1 A 58 58 LEU H H 88 7.780 8.499 -0.719 1
1 665 . 3 1 1 A 58 58 LEU HA H 88 4.060 3.921 0.139 1
1 675 . 3 1 1 A 58 58 LEU CA C 88 55.300 57.933 -2.633 1
1 676 . 3 1 1 A 58 58 LEU CB C 88 39.200 41.995 -2.795 1
1 680 . 3 1 1 A 58 58 LEU N N 88 121.900 122.128 -0.228 1
1 681 . 3 1 1 A 59 59 PHE H H 89 7.980 8.803 -0.823 1
1 682 . 3 1 1 A 59 59 PHE HA H 89 4.190 4.057 0.133 1
1 687 . 3 1 1 A 59 59 PHE C C 89 174.600 176.714 -2.114 1
1 688 . 3 1 1 A 59 59 PHE CA C 89 58.300 61.447 -3.147 1
1 689 . 3 1 1 A 59 59 PHE CB C 89 35.900 38.938 -3.038 1
1 693 . 3 1 1 A 59 59 PHE N N 89 117.100 119.102 -2.002 1
1 694 . 3 1 1 A 60 60 LEU H H 90 8.010 8.322 -0.312 1
1 695 . 3 1 1 A 60 60 LEU HA H 90 3.870 3.580 0.290 1
1 705 . 3 1 1 A 60 60 LEU C C 90 176.800 179.095 -2.295 1
1 706 . 3 1 1 A 60 60 LEU CA C 90 55.400 58.316 -2.916 1
1 707 . 3 1 1 A 60 60 LEU CB C 90 38.900 42.016 -3.116 1
1 711 . 3 1 1 A 60 60 LEU N N 90 117.700 119.574 -1.874 1
1 712 . 3 1 1 A 61 61 ILE H H 91 7.910 7.784 0.126 1
1 713 . 3 1 1 A 61 61 ILE HA H 91 3.790 3.531 0.259 1
1 723 . 3 1 1 A 61 61 ILE CA C 91 62.500 65.126 -2.626 1
1 724 . 3 1 1 A 61 61 ILE CB C 91 35.400 37.404 -2.004 1
1 728 . 3 1 1 A 61 61 ILE N N 91 118.400 118.152 0.248 1
1 729 . 3 1 1 A 62 62 ILE H H 92 7.930 8.607 -0.677 1
1 730 . 3 1 1 A 62 62 ILE HA H 92 3.620 3.576 0.044 1
1 740 . 3 1 1 A 62 62 ILE C C 92 175.000 177.839 -2.839 1
1 741 . 3 1 1 A 62 62 ILE CA C 92 62.800 65.339 -2.539 1
1 742 . 3 1 1 A 62 62 ILE CB C 92 34.600 37.291 -2.691 1
1 746 . 3 1 1 A 62 62 ILE N N 92 121.800 121.117 0.683 1
1 747 . 3 1 1 A 63 63 LEU H H 93 8.250 8.362 -0.112 1
1 748 . 3 1 1 A 63 63 LEU HA H 93 3.880 3.869 0.011 1
1 758 . 3 1 1 A 63 63 LEU C C 93 175.900 179.049 -3.149 1
1 759 . 3 1 1 A 63 63 LEU CA C 93 55.800 58.468 -2.668 1
1 760 . 3 1 1 A 63 63 LEU CB C 93 39.100 41.639 -2.539 1
1 764 . 3 1 1 A 63 63 LEU N N 93 119.800 121.464 -1.664 1
1 765 . 3 1 1 A 64 64 HIS H H 94 8.330 8.571 -0.241 1
1 766 . 3 1 1 A 64 64 HIS HA H 94 4.290 4.192 0.098 1
1 770 . 3 1 1 A 64 64 HIS C C 94 175.200 176.714 -1.514 1
1 771 . 3 1 1 A 64 64 HIS CA C 94 56.000 59.839 -3.839 1
1 772 . 3 1 1 A 64 64 HIS CB C 94 25.900 29.652 -3.752 1
1 775 . 3 1 1 A 64 64 HIS N N 94 114.700 118.927 -4.227 1
1 776 . 3 1 1 A 65 65 SER H H 95 8.150 8.885 -0.735 1
1 777 . 3 1 1 A 65 65 SER HA H 95 4.250 4.213 0.037 1
1 779 . 3 1 1 A 65 65 SER C C 95 172.500 177.303 -4.803 1
1 780 . 3 1 1 A 65 65 SER CA C 95 59.900 61.258 -1.358 1
1 781 . 3 1 1 A 65 65 SER CB C 95 60.500 62.264 -1.764 1
1 782 . 3 1 1 A 65 65 SER N N 95 116.200 113.956 2.244 1
1 783 . 3 1 1 A 66 66 ALA H H 96 8.220 8.289 -0.069 1
1 784 . 3 1 1 A 66 66 ALA HA H 96 4.080 4.389 -0.309 1
1 788 . 3 1 1 A 66 66 ALA C C 96 176.400 180.260 -3.860 1
1 789 . 3 1 1 A 66 66 ALA CA C 96 52.600 55.200 -2.600 1
1 790 . 3 1 1 A 66 66 ALA CB C 96 15.600 18.127 -2.527 1
1 791 . 3 1 1 A 66 66 ALA N N 96 123.500 123.587 -0.087 1
1 792 . 3 1 1 A 67 67 LEU H H 97 7.870 8.472 -0.602 1
1 793 . 3 1 1 A 67 67 LEU HA H 97 3.980 3.961 0.019 1
1 803 . 3 1 1 A 67 67 LEU C C 97 176.700 179.005 -2.305 1
1 804 . 3 1 1 A 67 67 LEU CA C 97 55.000 57.913 -2.913 1
1 805 . 3 1 1 A 67 67 LEU CB C 97 38.700 42.188 -3.488 1
1 809 . 3 1 1 A 67 67 LEU N N 97 115.800 119.289 -3.489 1
1 810 . 3 1 1 A 68 68 TYR H H 98 7.830 8.476 -0.646 1
1 811 . 3 1 1 A 68 68 TYR HA H 98 4.320 4.256 0.064 1
1 816 . 3 1 1 A 68 68 TYR C C 98 174.900 177.527 -2.627 1
1 817 . 3 1 1 A 68 68 TYR CA C 98 58.200 61.869 -3.669 1
1 818 . 3 1 1 A 68 68 TYR CB C 98 35.500 38.742 -3.242 1
1 821 . 3 1 1 A 68 68 TYR N N 98 120.300 119.391 0.909 1
1 822 . 3 1 1 A 69 69 PHE H H 99 8.110 8.578 -0.468 1
1 823 . 3 1 1 A 69 69 PHE HA H 99 4.200 4.323 -0.123 1
1 828 . 3 1 1 A 69 69 PHE C C 99 173.600 177.364 -3.764 1
1 829 . 3 1 1 A 69 69 PHE CA C 99 58.400 61.717 -3.317 1
1 830 . 3 1 1 A 69 69 PHE CB C 99 36.100 39.629 -3.529 1
1 834 . 3 1 1 A 69 69 PHE N N 99 117.600 121.363 -3.763 1
1 835 . 3 1 1 A 70 70 LYS H H 100 8.030 8.379 -0.349 1
1 836 . 3 1 1 A 70 70 LYS HA H 100 3.800 3.828 -0.028 1
1 843 . 3 1 1 A 70 70 LYS C C 100 175.700 177.831 -2.131 1
1 844 . 3 1 1 A 70 70 LYS CA C 100 57.300 58.965 -1.665 1
1 845 . 3 1 1 A 70 70 LYS CB C 100 29.500 32.109 -2.609 1
1 849 . 3 1 1 A 70 70 LYS N N 100 118.300 118.436 -0.136 1
1 850 . 3 1 1 A 71 71 TYR H H 101 7.720 8.342 -0.622 1
1 851 . 3 1 1 A 71 71 TYR HA H 101 4.210 4.060 0.150 1
1 856 . 3 1 1 A 71 71 TYR C C 101 175.300 177.096 -1.796 1
1 857 . 3 1 1 A 71 71 TYR CA C 101 57.800 61.482 -3.682 1
1 858 . 3 1 1 A 71 71 TYR CB C 101 34.700 38.688 -3.988 1
1 861 . 3 1 1 A 71 71 TYR N N 101 119.600 120.761 -1.161 1
1 862 . 3 1 1 A 72 72 LEU H H 102 7.950 8.468 -0.518 1
1 863 . 3 1 1 A 72 72 LEU HA H 102 3.800 3.854 -0.054 1
1 870 . 3 1 1 A 72 72 LEU C C 102 176.300 179.694 -3.394 1
1 871 . 3 1 1 A 72 72 LEU CA C 102 55.100 57.884 -2.784 1
1 872 . 3 1 1 A 72 72 LEU CB C 102 39.500 41.657 -2.157 1
1 876 . 3 1 1 A 72 72 LEU N N 102 121.000 120.768 0.232 1
1 877 . 3 1 1 A 73 73 LEU H H 103 7.870 7.780 0.090 1
1 878 . 3 1 1 A 73 73 LEU HA H 103 4.030 4.184 -0.154 1
1 888 . 3 1 1 A 73 73 LEU C C 103 176.200 178.641 -2.441 1
1 889 . 3 1 1 A 73 73 LEU CA C 103 54.500 57.876 -3.376 1
1 890 . 3 1 1 A 73 73 LEU CB C 103 39.200 40.902 -1.702 1
1 894 . 3 1 1 A 73 73 LEU N N 103 116.900 118.471 -1.571 1
1 895 . 3 1 1 A 74 74 SER H H 104 7.780 8.327 -0.547 1
1 896 . 3 1 1 A 74 74 SER HA H 104 4.230 4.023 0.207 1
1 898 . 3 1 1 A 74 74 SER C C 104 172.800 176.873 -4.073 1
1 899 . 3 1 1 A 74 74 SER CA C 104 57.900 61.122 -3.222 1
1 900 . 3 1 1 A 74 74 SER CB C 104 60.800 62.982 -2.182 1
1 901 . 3 1 1 A 74 74 SER N N 104 113.200 115.513 -2.313 1
1 902 . 3 1 1 A 75 75 ASN H H 105 7.720 7.754 -0.034 1
1 903 . 3 1 1 A 75 75 ASN HA H 105 4.530 4.368 0.162 1
1 906 . 3 1 1 A 75 75 ASN C C 105 173.100 177.103 -4.003 1
1 907 . 3 1 1 A 75 75 ASN CA C 105 51.800 55.499 -3.699 1
1 908 . 3 1 1 A 75 75 ASN CB C 105 36.600 38.170 -1.570 1
1 909 . 3 1 1 A 75 75 ASN N N 105 118.400 118.755 -0.355 1
1 910 . 3 1 1 A 76 76 TYR H H 106 7.720 7.703 0.017 1
1 911 . 3 1 1 A 76 76 TYR HA H 106 4.380 4.345 0.035 1
1 916 . 3 1 1 A 76 76 TYR C C 106 173.000 175.541 -2.541 1
1 917 . 3 1 1 A 76 76 TYR CA C 106 56.700 59.840 -3.140 1
1 918 . 3 1 1 A 76 76 TYR CB C 106 36.100 38.993 -2.893 1
1 921 . 3 1 1 A 76 76 TYR N N 106 118.900 116.976 1.924 1
1 922 . 3 1 1 A 77 77 SER H H 107 7.650 8.595 -0.945 1
1 923 . 3 1 1 A 77 77 SER HA H 107 4.330 4.927 -0.597 1
1 926 . 3 1 1 A 77 77 SER C C 107 171.800 173.882 -2.082 1
1 927 . 3 1 1 A 77 77 SER CA C 107 55.800 57.889 -2.089 1
1 928 . 3 1 1 A 77 77 SER CB C 107 61.400 64.286 -2.886 1
1 929 . 3 1 1 A 77 77 SER N N 107 114.300 114.400 -0.100 1
1 930 . 3 1 1 A 78 78 SER H H 108 7.940 8.927 -0.987 1
1 931 . 3 1 1 A 78 78 SER HA H 108 4.440 4.577 -0.137 1
1 933 . 3 1 1 A 78 78 SER C C 108 171.900 174.043 -2.143 1
1 934 . 3 1 1 A 78 78 SER CA C 108 55.800 58.733 -2.933 1
1 935 . 3 1 1 A 78 78 SER CB C 108 61.200 63.112 -1.912 1
1 936 . 3 1 1 A 78 78 SER N N 108 116.600 121.874 -5.274 1
1 937 . 3 1 1 A 79 79 VAL H H 109 7.850 7.531 0.319 1
1 938 . 3 1 1 A 79 79 VAL HA H 109 4.170 4.378 -0.208 1
1 943 . 3 1 1 A 79 79 VAL C C 109 172.900 175.391 -2.491 1
1 944 . 3 1 1 A 79 79 VAL CA C 109 59.900 61.740 -1.840 1
1 945 . 3 1 1 A 79 79 VAL CB C 109 29.900 32.825 -2.925 1
1 948 . 3 1 1 A 79 79 VAL N N 109 120.200 121.461 -1.261 1
1 3 . 4 1 1 A 2 2 ASN HA H 32 4.710 5.604 -0.894 1
1 6 . 4 1 1 A 2 2 ASN CA C 32 50.800 51.818 -1.018 1
1 7 . 4 1 1 A 2 2 ASN CB C 32 36.400 42.623 -6.223 1
1 8 . 4 1 1 A 3 3 GLY H H 33 8.470 8.408 0.062 1
1 9 . 4 1 1 A 3 3 GLY HA2 H 33 3.890 4.309 -0.419 1
1 10 . 4 1 1 A 3 3 GLY HA3 H 33 3.990 4.312 -0.322 1
1 11 . 4 1 1 A 3 3 GLY C C 33 171.500 171.508 -0.008 1
1 12 . 4 1 1 A 3 3 GLY CA C 33 42.900 46.104 -3.204 1
1 13 . 4 1 1 A 3 3 GLY N N 33 109.300 108.361 0.939 1
1 14 . 4 1 1 A 4 4 SER H H 34 8.020 8.438 -0.418 1
1 15 . 4 1 1 A 4 4 SER HA H 34 4.480 4.892 -0.412 1
1 17 . 4 1 1 A 4 4 SER C C 34 171.700 174.497 -2.797 1
1 18 . 4 1 1 A 4 4 SER CA C 34 55.600 57.274 -1.674 1
1 19 . 4 1 1 A 4 4 SER CB C 34 61.400 66.909 -5.509 1
1 20 . 4 1 1 A 4 4 SER N N 34 115.200 115.968 -0.768 1
1 21 . 4 1 1 A 5 5 THR H H 35 8.030 8.972 -0.942 1
1 22 . 4 1 1 A 5 5 THR HA H 35 4.300 3.910 0.390 1
1 27 . 4 1 1 A 5 5 THR C C 35 171.400 173.722 -2.322 1
1 28 . 4 1 1 A 5 5 THR CA C 35 59.500 62.735 -3.235 1
1 29 . 4 1 1 A 5 5 THR CB C 35 67.200 67.457 -0.257 1
1 31 . 4 1 1 A 5 5 THR N N 35 115.600 117.859 -2.259 1
1 32 . 4 1 1 A 6 6 ILE H H 36 7.850 7.884 -0.034 1
1 33 . 4 1 1 A 6 6 ILE HA H 36 4.260 4.099 0.161 1
1 43 . 4 1 1 A 6 6 ILE C C 36 171.900 176.290 -4.390 1
1 44 . 4 1 1 A 6 6 ILE CA C 36 58.200 61.538 -3.338 1
1 45 . 4 1 1 A 6 6 ILE CB C 36 36.500 38.402 -1.902 1
1 49 . 4 1 1 A 6 6 ILE N N 36 122.000 122.252 -0.252 1
1 50 . 4 1 1 A 7 7 THR H H 37 7.680 8.233 -0.553 1
1 51 . 4 1 1 A 7 7 THR HA H 37 4.570 4.364 0.206 1
1 56 . 4 1 1 A 7 7 THR C C 37 172.800 176.098 -3.298 1
1 57 . 4 1 1 A 7 7 THR CA C 37 57.400 61.586 -4.186 1
1 58 . 4 1 1 A 7 7 THR CB C 37 68.700 70.710 -2.010 1
1 60 . 4 1 1 A 7 7 THR N N 37 114.700 117.382 -2.682 1
1 61 . 4 1 1 A 8 8 PHE H H 38 8.830 8.985 -0.155 1
1 62 . 4 1 1 A 8 8 PHE HA H 38 4.250 4.268 -0.018 1
1 67 . 4 1 1 A 8 8 PHE C C 38 174.700 177.747 -3.047 1
1 68 . 4 1 1 A 8 8 PHE CA C 38 58.400 61.360 -2.960 1
1 69 . 4 1 1 A 8 8 PHE CB C 38 36.000 38.451 -2.451 1
1 73 . 4 1 1 A 8 8 PHE N N 38 120.900 122.258 -1.358 1
1 74 . 4 1 1 A 9 9 ASP H H 39 8.400 8.401 -0.001 1
1 75 . 4 1 1 A 9 9 ASP HA H 39 4.280 4.286 -0.006 1
1 77 . 4 1 1 A 9 9 ASP C C 39 176.100 178.959 -2.859 1
1 78 . 4 1 1 A 9 9 ASP CA C 39 54.500 57.342 -2.842 1
1 79 . 4 1 1 A 9 9 ASP CB C 39 37.800 40.253 -2.453 1
1 80 . 4 1 1 A 9 9 ASP N N 39 117.400 120.603 -3.203 1
1 81 . 4 1 1 A 10 10 GLU H H 40 7.740 7.843 -0.103 1
1 82 . 4 1 1 A 10 10 GLU HA H 40 4.090 4.013 0.077 1
1 86 . 4 1 1 A 10 10 GLU C C 40 176.100 179.425 -3.325 1
1 87 . 4 1 1 A 10 10 GLU CA C 40 55.700 59.055 -3.355 1
1 88 . 4 1 1 A 10 10 GLU CB C 40 26.800 29.459 -2.659 1
1 90 . 4 1 1 A 10 10 GLU N N 40 118.800 119.340 -0.540 1
1 91 . 4 1 1 A 11 11 LEU H H 41 7.770 8.200 -0.430 1
1 92 . 4 1 1 A 11 11 LEU HA H 41 4.040 3.999 0.041 1
1 102 . 4 1 1 A 11 11 LEU C C 41 175.500 179.221 -3.721 1
1 103 . 4 1 1 A 11 11 LEU CA C 41 54.600 58.033 -3.433 1
1 104 . 4 1 1 A 11 11 LEU CB C 41 39.200 41.633 -2.433 1
1 108 . 4 1 1 A 11 11 LEU N N 41 119.500 120.382 -0.882 1
1 109 . 4 1 1 A 12 12 GLN H H 42 8.070 8.459 -0.389 1
1 110 . 4 1 1 A 12 12 GLN HA H 42 3.770 4.042 -0.272 1
1 114 . 4 1 1 A 12 12 GLN C C 42 175.400 179.288 -3.888 1
1 115 . 4 1 1 A 12 12 GLN CA C 42 56.500 58.862 -2.362 1
1 116 . 4 1 1 A 12 12 GLN CB C 42 25.800 28.527 -2.727 1
1 118 . 4 1 1 A 12 12 GLN N N 42 116.800 118.007 -1.207 1
1 119 . 4 1 1 A 13 13 GLY H H 43 7.810 8.300 -0.490 1
1 120 . 4 1 1 A 13 13 GLY HA2 H 43 3.850 3.705 0.145 1
1 121 . 4 1 1 A 13 13 GLY HA3 H 43 3.910 3.706 0.204 1
1 122 . 4 1 1 A 13 13 GLY C C 43 173.000 176.199 -3.199 1
1 123 . 4 1 1 A 13 13 GLY CA C 43 43.800 47.338 -3.538 1
1 124 . 4 1 1 A 13 13 GLY N N 43 105.400 108.777 -3.377 1
1 125 . 4 1 1 A 14 14 LEU H H 44 7.650 8.447 -0.797 1
1 126 . 4 1 1 A 14 14 LEU HA H 44 4.210 4.011 0.199 1
1 136 . 4 1 1 A 14 14 LEU C C 44 176.000 179.042 -3.042 1
1 137 . 4 1 1 A 14 14 LEU CA C 44 54.200 58.265 -4.065 1
1 138 . 4 1 1 A 14 14 LEU CB C 44 40.000 41.890 -1.890 1
1 142 . 4 1 1 A 14 14 LEU N N 44 120.900 123.293 -2.393 1
1 143 . 4 1 1 A 15 15 VAL H H 45 7.760 8.240 -0.480 1
1 144 . 4 1 1 A 15 15 VAL HA H 45 3.740 3.861 -0.121 1
1 152 . 4 1 1 A 15 15 VAL C C 45 173.100 177.523 -4.423 1
1 153 . 4 1 1 A 15 15 VAL CA C 45 61.800 64.834 -3.034 1
1 154 . 4 1 1 A 15 15 VAL CB C 45 29.100 31.496 -2.396 1
1 157 . 4 1 1 A 15 15 VAL N N 45 117.200 118.427 -1.227 1
1 158 . 4 1 1 A 16 16 ASN H H 46 7.820 8.097 -0.277 1
1 159 . 4 1 1 A 16 16 ASN HA H 46 4.600 4.550 0.050 1
1 161 . 4 1 1 A 16 16 ASN CA C 46 51.400 56.137 -4.737 1
1 162 . 4 1 1 A 16 16 ASN CB C 46 36.000 38.971 -2.971 1
1 163 . 4 1 1 A 16 16 ASN N N 46 118.400 120.402 -2.002 1
1 164 . 4 1 1 A 17 17 SER H H 47 8.160 7.654 0.506 1
1 165 . 4 1 1 A 17 17 SER HA H 47 4.380 4.763 -0.383 1
1 168 . 4 1 1 A 17 17 SER CA C 47 57.900 57.255 0.645 1
1 169 . 4 1 1 A 17 17 SER CB C 47 61.000 64.267 -3.267 1
1 170 . 4 1 1 A 18 18 THR H H 48 8.130 7.903 0.227 1
1 171 . 4 1 1 A 18 18 THR HA H 48 3.990 4.507 -0.517 1
1 176 . 4 1 1 A 18 18 THR C C 48 173.800 175.244 -1.444 1
1 177 . 4 1 1 A 18 18 THR CA C 48 63.500 64.210 -0.710 1
1 178 . 4 1 1 A 18 18 THR CB C 48 66.000 70.005 -4.005 1
1 180 . 4 1 1 A 18 18 THR N N 48 118.300 115.927 2.373 1
1 181 . 4 1 1 A 19 19 VAL H H 49 8.100 8.650 -0.550 1
1 182 . 4 1 1 A 19 19 VAL HA H 49 3.640 3.772 -0.132 1
1 190 . 4 1 1 A 19 19 VAL C C 49 174.700 177.906 -3.206 1
1 191 . 4 1 1 A 19 19 VAL CA C 49 64.000 65.197 -1.197 1
1 192 . 4 1 1 A 19 19 VAL CB C 49 29.000 31.293 -2.293 1
1 195 . 4 1 1 A 19 19 VAL N N 49 120.800 121.097 -0.297 1
1 196 . 4 1 1 A 20 20 THR H H 50 7.830 8.218 -0.388 1
1 197 . 4 1 1 A 20 20 THR HA H 50 3.740 3.916 -0.176 1
1 202 . 4 1 1 A 20 20 THR C C 50 173.800 176.686 -2.886 1
1 203 . 4 1 1 A 20 20 THR CA C 50 64.400 65.360 -0.960 1
1 204 . 4 1 1 A 20 20 THR CB C 50 65.500 68.742 -3.242 1
1 206 . 4 1 1 A 20 20 THR N N 50 114.000 116.076 -2.076 1
1 207 . 4 1 1 A 21 21 GLN H H 51 7.920 8.089 -0.169 1
1 208 . 4 1 1 A 21 21 GLN HA H 51 3.970 4.108 -0.138 1
1 211 . 4 1 1 A 21 21 GLN C C 51 175.900 178.006 -2.106 1
1 212 . 4 1 1 A 21 21 GLN CA C 51 56.300 58.277 -1.977 1
1 213 . 4 1 1 A 21 21 GLN CB C 51 25.700 29.184 -3.484 1
1 215 . 4 1 1 A 21 21 GLN N N 51 118.400 120.346 -1.946 1
1 216 . 4 1 1 A 22 22 ALA H H 52 7.960 7.828 0.132 1
1 217 . 4 1 1 A 22 22 ALA HA H 52 4.160 4.153 0.007 1
1 221 . 4 1 1 A 22 22 ALA C C 52 176.800 180.057 -3.257 1
1 222 . 4 1 1 A 22 22 ALA CA C 52 52.800 55.125 -2.325 1
1 223 . 4 1 1 A 22 22 ALA CB C 52 15.700 18.131 -2.431 1
1 224 . 4 1 1 A 22 22 ALA N N 52 122.200 122.100 0.100 1
1 225 . 4 1 1 A 23 23 ILE H H 53 8.100 7.967 0.133 1
1 226 . 4 1 1 A 23 23 ILE HA H 53 3.660 3.762 -0.102 1
1 236 . 4 1 1 A 23 23 ILE C C 53 175.300 178.472 -3.172 1
1 237 . 4 1 1 A 23 23 ILE CA C 53 62.700 65.390 -2.690 1
1 238 . 4 1 1 A 23 23 ILE CB C 53 35.100 38.088 -2.988 1
1 242 . 4 1 1 A 23 23 ILE N N 53 117.500 119.228 -1.728 1
1 243 . 4 1 1 A 24 24 LEU H H 54 8.160 7.887 0.273 1
1 244 . 4 1 1 A 24 24 LEU HA H 54 3.970 3.980 -0.010 1
1 254 . 4 1 1 A 24 24 LEU C C 54 176.600 179.064 -2.464 1
1 255 . 4 1 1 A 24 24 LEU CA C 54 55.500 58.327 -2.827 1
1 256 . 4 1 1 A 24 24 LEU CB C 54 38.700 41.995 -3.295 1
1 260 . 4 1 1 A 24 24 LEU N N 54 118.900 118.885 0.015 1
1 261 . 4 1 1 A 25 25 PHE H H 55 8.200 8.824 -0.624 1
1 262 . 4 1 1 A 25 25 PHE HA H 55 4.240 4.167 0.073 1
1 267 . 4 1 1 A 25 25 PHE C C 55 176.300 177.890 -1.590 1
1 268 . 4 1 1 A 25 25 PHE CA C 55 58.500 61.395 -2.895 1
1 269 . 4 1 1 A 25 25 PHE CB C 55 36.300 39.079 -2.779 1
1 273 . 4 1 1 A 25 25 PHE N N 55 119.100 118.753 0.347 1
1 274 . 4 1 1 A 26 26 GLY H H 56 8.570 9.012 -0.442 1
1 275 . 4 1 1 A 26 26 GLY HA2 H 56 3.580 3.947 -0.367 1
1 276 . 4 1 1 A 26 26 GLY HA3 H 56 3.670 4.086 -0.416 1
1 277 . 4 1 1 A 26 26 GLY C C 56 172.200 176.069 -3.869 1
1 278 . 4 1 1 A 26 26 GLY CA C 56 44.900 47.323 -2.423 1
1 279 . 4 1 1 A 26 26 GLY N N 56 108.900 106.925 1.975 1
1 280 . 4 1 1 A 27 27 VAL H H 57 8.550 8.578 -0.028 1
1 281 . 4 1 1 A 27 27 VAL HA H 57 3.640 3.756 -0.116 1
1 289 . 4 1 1 A 27 27 VAL C C 57 175.000 177.712 -2.712 1
1 290 . 4 1 1 A 27 27 VAL CA C 57 63.800 66.056 -2.256 1
1 291 . 4 1 1 A 27 27 VAL CB C 57 29.000 31.659 -2.659 1
1 294 . 4 1 1 A 27 27 VAL N N 57 120.000 122.431 -2.431 1
1 295 . 4 1 1 A 28 28 ARG H H 58 8.030 8.287 -0.257 1
1 296 . 4 1 1 A 28 28 ARG HA H 58 4.020 3.944 0.076 1
1 301 . 4 1 1 A 28 28 ARG C C 58 176.700 179.134 -2.434 1
1 302 . 4 1 1 A 28 28 ARG CA C 58 56.700 59.677 -2.977 1
1 303 . 4 1 1 A 28 28 ARG CB C 58 27.600 29.776 -2.176 1
1 306 . 4 1 1 A 28 28 ARG N N 58 118.300 119.369 -1.069 1
1 307 . 4 1 1 A 29 29 SER H H 59 8.020 7.937 0.083 1
1 308 . 4 1 1 A 29 29 SER HA H 59 4.280 4.052 0.228 1
1 310 . 4 1 1 A 29 29 SER C C 59 173.300 177.211 -3.911 1
1 311 . 4 1 1 A 29 29 SER CA C 59 58.200 61.335 -3.135 1
1 312 . 4 1 1 A 29 29 SER CB C 59 60.700 62.757 -2.057 1
1 313 . 4 1 1 A 29 29 SER N N 59 114.700 115.227 -0.527 1
1 314 . 4 1 1 A 30 30 GLY H H 60 8.310 8.795 -0.485 1
1 315 . 4 1 1 A 30 30 GLY HA2 H 60 3.630 3.941 -0.311 1
1 316 . 4 1 1 A 30 30 GLY HA3 H 60 3.750 4.044 -0.294 1
1 317 . 4 1 1 A 30 30 GLY C C 60 171.900 176.347 -4.447 1
1 318 . 4 1 1 A 30 30 GLY CA C 60 44.500 47.434 -2.934 1
1 319 . 4 1 1 A 30 30 GLY N N 60 109.700 109.800 -0.100 1
1 320 . 4 1 1 A 31 31 ALA H H 61 8.330 8.033 0.297 1
1 321 . 4 1 1 A 31 31 ALA HA H 61 3.970 4.112 -0.142 1
1 325 . 4 1 1 A 31 31 ALA C C 61 177.200 179.701 -2.501 1
1 326 . 4 1 1 A 31 31 ALA CA C 61 52.900 54.784 -1.884 1
1 327 . 4 1 1 A 31 31 ALA CB C 61 15.500 18.453 -2.953 1
1 328 . 4 1 1 A 31 31 ALA N N 61 122.700 125.094 -2.394 1
1 329 . 4 1 1 A 32 32 ALA H H 62 7.860 8.249 -0.389 1
1 330 . 4 1 1 A 32 32 ALA HA H 62 4.120 4.112 0.008 1
1 334 . 4 1 1 A 32 32 ALA C C 62 177.400 179.423 -2.023 1
1 335 . 4 1 1 A 32 32 ALA CA C 62 52.200 54.948 -2.748 1
1 336 . 4 1 1 A 32 32 ALA CB C 62 15.600 18.270 -2.670 1
1 337 . 4 1 1 A 32 32 ALA N N 62 120.400 120.227 0.173 1
1 338 . 4 1 1 A 33 33 ALA H H 63 7.920 8.458 -0.538 1
1 339 . 4 1 1 A 33 33 ALA HA H 63 4.070 4.007 0.063 1
1 343 . 4 1 1 A 33 33 ALA C C 63 176.200 179.648 -3.448 1
1 344 . 4 1 1 A 33 33 ALA CA C 63 52.100 55.049 -2.949 1
1 345 . 4 1 1 A 33 33 ALA CB C 63 15.800 18.488 -2.688 1
1 346 . 4 1 1 A 33 33 ALA N N 63 120.100 120.557 -0.457 1
1 347 . 4 1 1 A 34 34 LEU H H 64 8.090 8.206 -0.116 1
1 348 . 4 1 1 A 34 34 LEU HA H 64 3.980 4.110 -0.130 1
1 358 . 4 1 1 A 34 34 LEU C C 64 175.900 178.807 -2.907 1
1 359 . 4 1 1 A 34 34 LEU CA C 64 55.500 57.804 -2.304 1
1 360 . 4 1 1 A 34 34 LEU CB C 64 39.100 41.730 -2.630 1
1 364 . 4 1 1 A 34 34 LEU N N 64 116.400 119.953 -3.553 1
1 365 . 4 1 1 A 35 35 THR H H 65 7.860 8.101 -0.241 1
1 366 . 4 1 1 A 35 35 THR HA H 65 3.770 3.973 -0.203 1
1 371 . 4 1 1 A 35 35 THR C C 65 173.100 176.470 -3.370 1
1 372 . 4 1 1 A 35 35 THR CA C 65 64.600 65.169 -0.569 1
1 373 . 4 1 1 A 35 35 THR CB C 65 66.000 68.788 -2.788 1
1 375 . 4 1 1 A 35 35 THR N N 65 113.500 114.338 -0.838 1
1 376 . 4 1 1 A 36 36 LEU H H 66 7.430 7.827 -0.397 1
1 377 . 4 1 1 A 36 36 LEU HA H 66 4.000 4.140 -0.140 1
1 387 . 4 1 1 A 36 36 LEU C C 66 176.800 178.747 -1.947 1
1 388 . 4 1 1 A 36 36 LEU CA C 66 55.500 58.229 -2.729 1
1 389 . 4 1 1 A 36 36 LEU CB C 66 39.200 41.502 -2.302 1
1 393 . 4 1 1 A 36 36 LEU N N 66 120.200 119.842 0.358 1
1 394 . 4 1 1 A 37 37 ILE H H 67 7.750 8.209 -0.459 1
1 395 . 4 1 1 A 37 37 ILE HA H 67 3.800 3.745 0.055 1
1 405 . 4 1 1 A 37 37 ILE C C 67 175.000 178.234 -3.234 1
1 406 . 4 1 1 A 37 37 ILE CA C 67 62.600 65.357 -2.757 1
1 407 . 4 1 1 A 37 37 ILE CB C 67 35.300 38.032 -2.732 1
1 411 . 4 1 1 A 37 37 ILE N N 67 119.600 120.297 -0.697 1
1 412 . 4 1 1 A 38 38 VAL H H 68 8.250 7.915 0.335 1
1 413 . 4 1 1 A 38 38 VAL HA H 68 3.590 3.789 -0.199 1
1 421 . 4 1 1 A 38 38 VAL C C 68 176.600 178.079 -1.479 1
1 422 . 4 1 1 A 38 38 VAL CA C 68 65.000 65.681 -0.681 1
1 423 . 4 1 1 A 38 38 VAL CB C 68 28.900 31.469 -2.569 1
1 426 . 4 1 1 A 38 38 VAL N N 68 119.600 116.312 3.288 1
1 427 . 4 1 1 A 39 39 VAL H H 69 8.370 8.063 0.307 1
1 428 . 4 1 1 A 39 39 VAL HA H 69 3.620 3.602 0.018 1
1 436 . 4 1 1 A 39 39 VAL C C 69 175.800 177.858 -2.058 1
1 437 . 4 1 1 A 39 39 VAL CA C 69 64.200 66.622 -2.422 1
1 438 . 4 1 1 A 39 39 VAL CB C 69 28.900 31.738 -2.838 1
1 441 . 4 1 1 A 39 39 VAL N N 69 121.700 121.066 0.634 1
1 442 . 4 1 1 A 40 40 TRP H H 70 8.320 8.777 -0.457 1
1 443 . 4 1 1 A 40 40 TRP HA H 70 4.150 4.248 -0.098 1
1 449 . 4 1 1 A 40 40 TRP C C 70 176.600 178.554 -1.954 1
1 450 . 4 1 1 A 40 40 TRP CA C 70 59.700 61.139 -1.439 1
1 451 . 4 1 1 A 40 40 TRP CB C 70 26.400 29.586 -3.186 1
1 454 . 4 1 1 A 40 40 TRP N N 70 122.400 120.692 1.708 1
1 456 . 4 1 1 A 41 41 ILE H H 71 8.780 7.999 0.781 1
1 457 . 4 1 1 A 41 41 ILE HA H 71 3.510 3.112 0.398 1
1 467 . 4 1 1 A 41 41 ILE C C 71 175.600 178.444 -2.844 1
1 468 . 4 1 1 A 41 41 ILE CA C 71 62.500 64.302 -1.802 1
1 469 . 4 1 1 A 41 41 ILE CB C 71 35.700 37.517 -1.817 1
1 473 . 4 1 1 A 41 41 ILE N N 71 117.500 121.021 -3.521 1
1 474 . 4 1 1 A 42 42 THR H H 72 8.280 8.348 -0.068 1
1 475 . 4 1 1 A 42 42 THR HA H 72 4.000 3.943 0.057 1
1 480 . 4 1 1 A 42 42 THR C C 72 173.800 176.816 -3.016 1
1 481 . 4 1 1 A 42 42 THR CA C 72 62.500 65.478 -2.978 1
1 482 . 4 1 1 A 42 42 THR CB C 72 66.500 68.713 -2.213 1
1 484 . 4 1 1 A 42 42 THR N N 72 110.700 114.702 -4.002 1
1 485 . 4 1 1 A 43 43 SER H H 73 7.810 8.129 -0.319 1
1 486 . 4 1 1 A 43 43 SER HA H 73 4.320 4.421 -0.101 1
1 488 . 4 1 1 A 43 43 SER C C 73 172.800 173.880 -1.080 1
1 489 . 4 1 1 A 43 43 SER CA C 73 57.600 59.344 -1.744 1
1 490 . 4 1 1 A 43 43 SER CB C 73 60.900 63.656 -2.756 1
1 491 . 4 1 1 A 43 43 SER N N 73 115.900 115.077 0.823 1
1 492 . 4 1 1 A 44 44 ARG H H 74 7.490 7.795 -0.305 1
1 493 . 4 1 1 A 44 44 ARG HA H 74 4.120 3.944 0.176 1
1 500 . 4 1 1 A 44 44 ARG C C 74 174.200 175.175 -0.975 1
1 501 . 4 1 1 A 44 44 ARG CA C 74 53.600 56.703 -3.103 1
1 502 . 4 1 1 A 44 44 ARG CB C 74 27.700 27.274 0.426 1
1 505 . 4 1 1 A 44 44 ARG N N 74 120.100 118.175 1.925 1
1 506 . 4 1 1 A 45 45 SER H H 75 7.890 7.555 0.335 1
1 507 . 4 1 1 A 45 45 SER HA H 75 4.210 4.486 -0.276 1
1 509 . 4 1 1 A 45 45 SER C C 75 172.300 174.607 -2.307 1
1 510 . 4 1 1 A 45 45 SER CA C 75 56.800 58.801 -2.001 1
1 511 . 4 1 1 A 45 45 SER CB C 75 60.900 64.052 -3.152 1
1 512 . 4 1 1 A 45 45 SER N N 75 114.400 112.700 1.700 1
1 513 . 4 1 1 A 46 46 ARG H H 76 7.850 8.534 -0.684 1
1 514 . 4 1 1 A 46 46 ARG HA H 76 4.220 4.337 -0.117 1
1 519 . 4 1 1 A 46 46 ARG C C 76 173.500 176.896 -3.396 1
1 520 . 4 1 1 A 46 46 ARG CA C 76 53.900 57.134 -3.234 1
1 521 . 4 1 1 A 46 46 ARG CB C 76 27.800 30.865 -3.065 1
1 524 . 4 1 1 A 46 46 ARG N N 76 120.600 124.271 -3.671 1
1 525 . 4 1 1 A 47 47 LYS H H 77 7.900 8.388 -0.488 1
1 526 . 4 1 1 A 47 47 LYS HA H 77 4.320 4.199 0.121 1
1 533 . 4 1 1 A 47 47 LYS C C 77 173.600 176.671 -3.071 1
1 534 . 4 1 1 A 47 47 LYS CA C 77 53.400 57.000 -3.600 1
1 535 . 4 1 1 A 47 47 LYS CB C 77 30.500 33.148 -2.648 1
1 539 . 4 1 1 A 47 47 LYS N N 77 119.100 121.764 -2.664 1
1 540 . 4 1 1 A 48 48 THR H H 78 7.840 8.254 -0.414 1
1 541 . 4 1 1 A 48 48 THR HA H 78 4.390 4.769 -0.379 1
1 546 . 4 1 1 A 48 48 THR C C 78 174.000 172.253 1.747 1
1 547 . 4 1 1 A 48 48 THR CA C 78 59.500 58.216 1.284 1
1 548 . 4 1 1 A 48 48 THR CB C 78 66.600 69.322 -2.722 1
1 550 . 4 1 1 A 48 48 THR N N 78 116.200 113.325 2.875 1
1 551 . 4 1 1 A 49 49 PRO HA H 79 4.410 4.547 -0.137 1
1 557 . 4 1 1 A 49 49 PRO CA C 79 60.800 62.564 -1.764 1
1 558 . 4 1 1 A 49 49 PRO CB C 79 28.900 32.624 -3.724 1
1 561 . 4 1 1 A 50 50 ILE H H 80 7.850 8.595 -0.745 1
1 562 . 4 1 1 A 50 50 ILE HA H 80 3.880 3.774 0.106 1
1 572 . 4 1 1 A 50 50 ILE C C 80 173.500 177.647 -4.147 1
1 573 . 4 1 1 A 50 50 ILE CA C 80 59.800 64.351 -4.551 1
1 574 . 4 1 1 A 50 50 ILE CB C 80 35.600 37.731 -2.131 1
1 578 . 4 1 1 A 50 50 ILE N N 80 119.400 123.058 -3.658 1
1 579 . 4 1 1 A 51 51 PHE H H 81 7.730 8.509 -0.779 1
1 580 . 4 1 1 A 51 51 PHE HA H 81 4.500 4.076 0.424 1
1 585 . 4 1 1 A 51 51 PHE CA C 81 56.200 61.075 -4.875 1
1 586 . 4 1 1 A 51 51 PHE CB C 81 36.500 39.359 -2.859 1
1 590 . 4 1 1 A 51 51 PHE N N 81 118.900 123.653 -4.753 1
1 591 . 4 1 1 A 52 52 ILE H H 82 7.420 7.955 -0.535 1
1 592 . 4 1 1 A 52 52 ILE HA H 82 3.880 3.644 0.236 1
1 602 . 4 1 1 A 52 52 ILE C C 82 173.800 178.013 -4.213 1
1 603 . 4 1 1 A 52 52 ILE CA C 82 59.700 64.562 -4.862 1
1 604 . 4 1 1 A 52 52 ILE CB C 82 35.400 37.749 -2.349 1
1 608 . 4 1 1 A 52 52 ILE N N 82 118.000 120.138 -2.138 1
1 609 . 4 1 1 A 53 53 ILE H H 83 7.540 8.122 -0.582 1
1 610 . 4 1 1 A 53 53 ILE HA H 83 3.890 3.509 0.381 1
1 620 . 4 1 1 A 53 53 ILE C C 83 174.300 178.261 -3.961 1
1 621 . 4 1 1 A 53 53 ILE CA C 83 59.800 65.278 -5.478 1
1 622 . 4 1 1 A 53 53 ILE CB C 83 35.600 37.707 -2.107 1
1 626 . 4 1 1 A 53 53 ILE N N 83 119.300 119.985 -0.685 1
1 627 . 4 1 1 A 54 54 ASN H H 84 8.030 8.656 -0.626 1
1 628 . 4 1 1 A 54 54 ASN HA H 84 4.620 4.397 0.223 1
1 631 . 4 1 1 A 54 54 ASN CA C 84 51.500 56.858 -5.358 1
1 632 . 4 1 1 A 54 54 ASN CB C 84 36.500 38.947 -2.447 1
1 633 . 4 1 1 A 54 54 ASN N N 84 118.300 119.192 -0.892 1
1 634 . 4 1 1 A 55 55 GLN H H 85 8.040 8.046 -0.006 1
1 635 . 4 1 1 A 55 55 GLN HA H 85 4.210 3.874 0.336 1
1 639 . 4 1 1 A 55 55 GLN CA C 85 54.400 58.995 -4.595 1
1 640 . 4 1 1 A 55 55 GLN CB C 85 25.600 28.240 -2.640 1
1 642 . 4 1 1 A 56 56 VAL H H 86 7.720 8.129 -0.409 1
1 643 . 4 1 1 A 56 56 VAL HA H 86 3.800 3.846 -0.046 1
1 651 . 4 1 1 A 56 56 VAL C C 86 174.200 178.122 -3.922 1
1 652 . 4 1 1 A 56 56 VAL CA C 86 62.700 65.180 -2.480 1
1 653 . 4 1 1 A 56 56 VAL CB C 86 29.100 31.660 -2.560 1
1 656 . 4 1 1 A 56 56 VAL N N 86 118.700 116.970 1.730 1
1 657 . 4 1 1 A 57 57 SER H H 87 8.080 8.478 -0.398 1
1 658 . 4 1 1 A 57 57 SER HA H 87 4.200 4.234 -0.034 1
1 660 . 4 1 1 A 57 57 SER C C 87 173.800 176.702 -2.902 1
1 661 . 4 1 1 A 57 57 SER CA C 87 58.400 61.488 -3.088 1
1 662 . 4 1 1 A 57 57 SER CB C 87 60.000 62.413 -2.413 1
1 663 . 4 1 1 A 57 57 SER N N 87 115.300 116.316 -1.016 1
1 664 . 4 1 1 A 58 58 LEU H H 88 7.780 8.127 -0.347 1
1 665 . 4 1 1 A 58 58 LEU HA H 88 4.060 3.935 0.125 1
1 675 . 4 1 1 A 58 58 LEU CA C 88 55.300 58.005 -2.705 1
1 676 . 4 1 1 A 58 58 LEU CB C 88 39.200 41.840 -2.640 1
1 680 . 4 1 1 A 58 58 LEU N N 88 121.900 121.890 0.010 1
1 681 . 4 1 1 A 59 59 PHE H H 89 7.980 8.539 -0.559 1
1 682 . 4 1 1 A 59 59 PHE HA H 89 4.190 4.246 -0.056 1
1 687 . 4 1 1 A 59 59 PHE C C 89 174.600 178.317 -3.717 1
1 688 . 4 1 1 A 59 59 PHE CA C 89 58.300 60.745 -2.445 1
1 689 . 4 1 1 A 59 59 PHE CB C 89 35.900 39.003 -3.103 1
1 693 . 4 1 1 A 59 59 PHE N N 89 117.100 118.092 -0.992 1
1 694 . 4 1 1 A 60 60 LEU H H 90 8.010 8.869 -0.859 1
1 695 . 4 1 1 A 60 60 LEU HA H 90 3.870 3.897 -0.027 1
1 705 . 4 1 1 A 60 60 LEU C C 90 176.800 179.122 -2.322 1
1 706 . 4 1 1 A 60 60 LEU CA C 90 55.400 58.274 -2.874 1
1 707 . 4 1 1 A 60 60 LEU CB C 90 38.900 41.731 -2.831 1
1 711 . 4 1 1 A 60 60 LEU N N 90 117.700 119.484 -1.784 1
1 712 . 4 1 1 A 61 61 ILE H H 91 7.910 7.908 0.002 1
1 713 . 4 1 1 A 61 61 ILE HA H 91 3.790 3.566 0.224 1
1 723 . 4 1 1 A 61 61 ILE CA C 91 62.500 65.525 -3.025 1
1 724 . 4 1 1 A 61 61 ILE CB C 91 35.400 37.817 -2.417 1
1 728 . 4 1 1 A 61 61 ILE N N 91 118.400 119.376 -0.976 1
1 729 . 4 1 1 A 62 62 ILE H H 92 7.930 8.132 -0.202 1
1 730 . 4 1 1 A 62 62 ILE HA H 92 3.620 3.483 0.137 1
1 740 . 4 1 1 A 62 62 ILE C C 92 175.000 178.022 -3.022 1
1 741 . 4 1 1 A 62 62 ILE CA C 92 62.800 65.540 -2.740 1
1 742 . 4 1 1 A 62 62 ILE CB C 92 34.600 37.850 -3.250 1
1 746 . 4 1 1 A 62 62 ILE N N 92 121.800 120.138 1.662 1
1 747 . 4 1 1 A 63 63 LEU H H 93 8.250 8.317 -0.067 1
1 748 . 4 1 1 A 63 63 LEU HA H 93 3.880 3.971 -0.091 1
1 758 . 4 1 1 A 63 63 LEU C C 93 175.900 178.925 -3.025 1
1 759 . 4 1 1 A 63 63 LEU CA C 93 55.800 58.582 -2.782 1
1 760 . 4 1 1 A 63 63 LEU CB C 93 39.100 42.095 -2.995 1
1 764 . 4 1 1 A 63 63 LEU N N 93 119.800 121.737 -1.937 1
1 765 . 4 1 1 A 64 64 HIS H H 94 8.330 8.569 -0.239 1
1 766 . 4 1 1 A 64 64 HIS HA H 94 4.290 4.030 0.260 1
1 770 . 4 1 1 A 64 64 HIS C C 94 175.200 176.768 -1.568 1
1 771 . 4 1 1 A 64 64 HIS CA C 94 56.000 59.913 -3.913 1
1 772 . 4 1 1 A 64 64 HIS CB C 94 25.900 29.371 -3.471 1
1 775 . 4 1 1 A 64 64 HIS N N 94 114.700 118.981 -4.281 1
1 776 . 4 1 1 A 65 65 SER H H 95 8.150 8.414 -0.264 1
1 777 . 4 1 1 A 65 65 SER HA H 95 4.250 3.482 0.768 1
1 779 . 4 1 1 A 65 65 SER C C 95 172.500 176.238 -3.738 1
1 780 . 4 1 1 A 65 65 SER CA C 95 59.900 61.697 -1.797 1
1 781 . 4 1 1 A 65 65 SER CB C 95 60.500 62.595 -2.095 1
1 782 . 4 1 1 A 65 65 SER N N 95 116.200 115.107 1.093 1
1 783 . 4 1 1 A 66 66 ALA H H 96 8.220 8.255 -0.035 1
1 784 . 4 1 1 A 66 66 ALA HA H 96 4.080 4.358 -0.278 1
1 788 . 4 1 1 A 66 66 ALA C C 96 176.400 179.358 -2.958 1
1 789 . 4 1 1 A 66 66 ALA CA C 96 52.600 55.236 -2.636 1
1 790 . 4 1 1 A 66 66 ALA CB C 96 15.600 18.326 -2.726 1
1 791 . 4 1 1 A 66 66 ALA N N 96 123.500 123.540 -0.040 1
1 792 . 4 1 1 A 67 67 LEU H H 97 7.870 8.342 -0.472 1
1 793 . 4 1 1 A 67 67 LEU HA H 97 3.980 4.067 -0.087 1
1 803 . 4 1 1 A 67 67 LEU C C 97 176.700 177.962 -1.262 1
1 804 . 4 1 1 A 67 67 LEU CA C 97 55.000 58.251 -3.251 1
1 805 . 4 1 1 A 67 67 LEU CB C 97 38.700 41.565 -2.865 1
1 809 . 4 1 1 A 67 67 LEU N N 97 115.800 119.531 -3.731 1
1 810 . 4 1 1 A 68 68 TYR H H 98 7.830 8.528 -0.698 1
1 811 . 4 1 1 A 68 68 TYR HA H 98 4.320 4.143 0.177 1
1 816 . 4 1 1 A 68 68 TYR C C 98 174.900 177.355 -2.455 1
1 817 . 4 1 1 A 68 68 TYR CA C 98 58.200 61.671 -3.471 1
1 818 . 4 1 1 A 68 68 TYR CB C 98 35.500 38.363 -2.863 1
1 821 . 4 1 1 A 68 68 TYR N N 98 120.300 121.807 -1.507 1
1 822 . 4 1 1 A 69 69 PHE H H 99 8.110 7.858 0.252 1
1 823 . 4 1 1 A 69 69 PHE HA H 99 4.200 4.215 -0.015 1
1 828 . 4 1 1 A 69 69 PHE C C 99 173.600 178.402 -4.802 1
1 829 . 4 1 1 A 69 69 PHE CA C 99 58.400 62.367 -3.967 1
1 830 . 4 1 1 A 69 69 PHE CB C 99 36.100 38.504 -2.404 1
1 834 . 4 1 1 A 69 69 PHE N N 99 117.600 118.227 -0.627 1
1 835 . 4 1 1 A 70 70 LYS H H 100 8.030 8.355 -0.325 1
1 836 . 4 1 1 A 70 70 LYS HA H 100 3.800 4.035 -0.235 1
1 843 . 4 1 1 A 70 70 LYS C C 100 175.700 178.778 -3.078 1
1 844 . 4 1 1 A 70 70 LYS CA C 100 57.300 59.708 -2.408 1
1 845 . 4 1 1 A 70 70 LYS CB C 100 29.500 32.374 -2.874 1
1 849 . 4 1 1 A 70 70 LYS N N 100 118.300 118.556 -0.256 1
1 850 . 4 1 1 A 71 71 TYR H H 101 7.720 8.423 -0.703 1
1 851 . 4 1 1 A 71 71 TYR HA H 101 4.210 4.115 0.095 1
1 856 . 4 1 1 A 71 71 TYR C C 101 175.300 177.349 -2.049 1
1 857 . 4 1 1 A 71 71 TYR CA C 101 57.800 61.348 -3.548 1
1 858 . 4 1 1 A 71 71 TYR CB C 101 34.700 38.643 -3.943 1
1 861 . 4 1 1 A 71 71 TYR N N 101 119.600 120.997 -1.397 1
1 862 . 4 1 1 A 72 72 LEU H H 102 7.950 8.408 -0.458 1
1 863 . 4 1 1 A 72 72 LEU HA H 102 3.800 3.773 0.027 1
1 870 . 4 1 1 A 72 72 LEU C C 102 176.300 179.146 -2.846 1
1 871 . 4 1 1 A 72 72 LEU CA C 102 55.100 58.227 -3.127 1
1 872 . 4 1 1 A 72 72 LEU CB C 102 39.500 41.745 -2.245 1
1 876 . 4 1 1 A 72 72 LEU N N 102 121.000 120.861 0.139 1
1 877 . 4 1 1 A 73 73 LEU H H 103 7.870 8.457 -0.587 1
1 878 . 4 1 1 A 73 73 LEU HA H 103 4.030 4.225 -0.195 1
1 888 . 4 1 1 A 73 73 LEU C C 103 176.200 178.619 -2.419 1
1 889 . 4 1 1 A 73 73 LEU CA C 103 54.500 58.220 -3.720 1
1 890 . 4 1 1 A 73 73 LEU CB C 103 39.200 41.482 -2.282 1
1 894 . 4 1 1 A 73 73 LEU N N 103 116.900 118.010 -1.110 1
1 895 . 4 1 1 A 74 74 SER H H 104 7.780 8.350 -0.570 1
1 896 . 4 1 1 A 74 74 SER HA H 104 4.230 4.046 0.184 1
1 898 . 4 1 1 A 74 74 SER C C 104 172.800 177.168 -4.368 1
1 899 . 4 1 1 A 74 74 SER CA C 104 57.900 61.620 -3.720 1
1 900 . 4 1 1 A 74 74 SER CB C 104 60.800 62.924 -2.124 1
1 901 . 4 1 1 A 74 74 SER N N 104 113.200 115.260 -2.060 1
1 902 . 4 1 1 A 75 75 ASN H H 105 7.720 7.371 0.349 1
1 903 . 4 1 1 A 75 75 ASN HA H 105 4.530 4.523 0.007 1
1 906 . 4 1 1 A 75 75 ASN C C 105 173.100 178.186 -5.086 1
1 907 . 4 1 1 A 75 75 ASN CA C 105 51.800 55.999 -4.199 1
1 908 . 4 1 1 A 75 75 ASN CB C 105 36.600 37.940 -1.340 1
1 909 . 4 1 1 A 75 75 ASN N N 105 118.400 119.099 -0.699 1
1 910 . 4 1 1 A 76 76 TYR H H 106 7.720 7.585 0.135 1
1 911 . 4 1 1 A 76 76 TYR HA H 106 4.380 4.160 0.220 1
1 916 . 4 1 1 A 76 76 TYR C C 106 173.000 175.475 -2.475 1
1 917 . 4 1 1 A 76 76 TYR CA C 106 56.700 61.195 -4.495 1
1 918 . 4 1 1 A 76 76 TYR CB C 106 36.100 37.904 -1.804 1
1 921 . 4 1 1 A 76 76 TYR N N 106 118.900 118.574 0.326 1
1 922 . 4 1 1 A 77 77 SER H H 107 7.650 7.486 0.164 1
1 923 . 4 1 1 A 77 77 SER HA H 107 4.330 4.864 -0.534 1
1 926 . 4 1 1 A 77 77 SER C C 107 171.800 172.294 -0.494 1
1 927 . 4 1 1 A 77 77 SER CA C 107 55.800 55.682 0.118 1
1 928 . 4 1 1 A 77 77 SER CB C 107 61.400 65.274 -3.874 1
1 929 . 4 1 1 A 77 77 SER N N 107 114.300 114.068 0.232 1
1 930 . 4 1 1 A 78 78 SER H H 108 7.940 8.777 -0.837 1
1 931 . 4 1 1 A 78 78 SER HA H 108 4.440 4.993 -0.553 1
1 933 . 4 1 1 A 78 78 SER C C 108 171.900 173.166 -1.266 1
1 934 . 4 1 1 A 78 78 SER CA C 108 55.800 57.029 -1.229 1
1 935 . 4 1 1 A 78 78 SER CB C 108 61.200 64.112 -2.912 1
1 936 . 4 1 1 A 78 78 SER N N 108 116.600 117.266 -0.666 1
1 937 . 4 1 1 A 79 79 VAL H H 109 7.850 8.445 -0.595 1
1 938 . 4 1 1 A 79 79 VAL HA H 109 4.170 4.599 -0.429 1
1 943 . 4 1 1 A 79 79 VAL C C 109 172.900 174.021 -1.121 1
1 944 . 4 1 1 A 79 79 VAL CA C 109 59.900 60.472 -0.572 1
1 945 . 4 1 1 A 79 79 VAL CB C 109 29.900 34.622 -4.722 1
1 948 . 4 1 1 A 79 79 VAL N N 109 120.200 124.449 -4.249 1
1 3 . 5 1 1 A 2 2 ASN HA H 32 4.710 5.337 -0.627 1
1 6 . 5 1 1 A 2 2 ASN CA C 32 50.800 52.023 -1.223 1
1 7 . 5 1 1 A 2 2 ASN CB C 32 36.400 41.677 -5.277 1
1 8 . 5 1 1 A 3 3 GLY H H 33 8.470 9.114 -0.644 1
1 9 . 5 1 1 A 3 3 GLY HA2 H 33 3.890 4.151 -0.261 1
1 10 . 5 1 1 A 3 3 GLY HA3 H 33 3.990 4.151 -0.161 1
1 11 . 5 1 1 A 3 3 GLY C C 33 171.500 172.462 -0.962 1
1 12 . 5 1 1 A 3 3 GLY CA C 33 42.900 44.556 -1.656 1
1 13 . 5 1 1 A 3 3 GLY N N 33 109.300 112.896 -3.596 1
1 14 . 5 1 1 A 4 4 SER H H 34 8.020 8.711 -0.691 1
1 15 . 5 1 1 A 4 4 SER HA H 34 4.480 4.907 -0.427 1
1 17 . 5 1 1 A 4 4 SER C C 34 171.700 173.137 -1.437 1
1 18 . 5 1 1 A 4 4 SER CA C 34 55.600 58.059 -2.459 1
1 19 . 5 1 1 A 4 4 SER CB C 34 61.400 62.604 -1.204 1
1 20 . 5 1 1 A 4 4 SER N N 34 115.200 115.770 -0.570 1
1 21 . 5 1 1 A 5 5 THR H H 35 8.030 8.748 -0.718 1
1 22 . 5 1 1 A 5 5 THR HA H 35 4.300 4.598 -0.298 1
1 27 . 5 1 1 A 5 5 THR C C 35 171.400 173.755 -2.355 1
1 28 . 5 1 1 A 5 5 THR CA C 35 59.500 60.905 -1.405 1
1 29 . 5 1 1 A 5 5 THR CB C 35 67.200 69.975 -2.775 1
1 31 . 5 1 1 A 5 5 THR N N 35 115.600 121.098 -5.498 1
1 32 . 5 1 1 A 6 6 ILE H H 36 7.850 7.475 0.375 1
1 33 . 5 1 1 A 6 6 ILE HA H 36 4.260 4.295 -0.035 1
1 43 . 5 1 1 A 6 6 ILE C C 36 171.900 175.964 -4.064 1
1 44 . 5 1 1 A 6 6 ILE CA C 36 58.200 60.209 -2.009 1
1 45 . 5 1 1 A 6 6 ILE CB C 36 36.500 39.510 -3.010 1
1 49 . 5 1 1 A 6 6 ILE N N 36 122.000 122.749 -0.749 1
1 50 . 5 1 1 A 7 7 THR H H 37 7.680 8.148 -0.468 1
1 51 . 5 1 1 A 7 7 THR HA H 37 4.570 4.538 0.032 1
1 56 . 5 1 1 A 7 7 THR C C 37 172.800 176.307 -3.507 1
1 57 . 5 1 1 A 7 7 THR CA C 37 57.400 61.108 -3.708 1
1 58 . 5 1 1 A 7 7 THR CB C 37 68.700 70.602 -1.902 1
1 60 . 5 1 1 A 7 7 THR N N 37 114.700 118.740 -4.040 1
1 61 . 5 1 1 A 8 8 PHE H H 38 8.830 9.060 -0.230 1
1 62 . 5 1 1 A 8 8 PHE HA H 38 4.250 4.263 -0.013 1
1 67 . 5 1 1 A 8 8 PHE C C 38 174.700 177.817 -3.117 1
1 68 . 5 1 1 A 8 8 PHE CA C 38 58.400 61.444 -3.044 1
1 69 . 5 1 1 A 8 8 PHE CB C 38 36.000 38.331 -2.331 1
1 73 . 5 1 1 A 8 8 PHE N N 38 120.900 122.313 -1.413 1
1 74 . 5 1 1 A 9 9 ASP H H 39 8.400 8.390 0.010 1
1 75 . 5 1 1 A 9 9 ASP HA H 39 4.280 4.233 0.047 1
1 77 . 5 1 1 A 9 9 ASP C C 39 176.100 178.198 -2.098 1
1 78 . 5 1 1 A 9 9 ASP CA C 39 54.500 57.316 -2.816 1
1 79 . 5 1 1 A 9 9 ASP CB C 39 37.800 40.051 -2.251 1
1 80 . 5 1 1 A 9 9 ASP N N 39 117.400 120.646 -3.246 1
1 81 . 5 1 1 A 10 10 GLU H H 40 7.740 7.859 -0.119 1
1 82 . 5 1 1 A 10 10 GLU HA H 40 4.090 4.082 0.008 1
1 86 . 5 1 1 A 10 10 GLU C C 40 176.100 179.300 -3.200 1
1 87 . 5 1 1 A 10 10 GLU CA C 40 55.700 59.063 -3.363 1
1 88 . 5 1 1 A 10 10 GLU CB C 40 26.800 29.449 -2.649 1
1 90 . 5 1 1 A 10 10 GLU N N 40 118.800 117.747 1.053 1
1 91 . 5 1 1 A 11 11 LEU H H 41 7.770 8.045 -0.275 1
1 92 . 5 1 1 A 11 11 LEU HA H 41 4.040 3.927 0.113 1
1 102 . 5 1 1 A 11 11 LEU C C 41 175.500 178.998 -3.498 1
1 103 . 5 1 1 A 11 11 LEU CA C 41 54.600 58.042 -3.442 1
1 104 . 5 1 1 A 11 11 LEU CB C 41 39.200 41.014 -1.814 1
1 108 . 5 1 1 A 11 11 LEU N N 41 119.500 121.319 -1.819 1
1 109 . 5 1 1 A 12 12 GLN H H 42 8.070 8.503 -0.433 1
1 110 . 5 1 1 A 12 12 GLN HA H 42 3.770 4.066 -0.296 1
1 114 . 5 1 1 A 12 12 GLN C C 42 175.400 179.582 -4.182 1
1 115 . 5 1 1 A 12 12 GLN CA C 42 56.500 58.978 -2.478 1
1 116 . 5 1 1 A 12 12 GLN CB C 42 25.800 28.309 -2.509 1
1 118 . 5 1 1 A 12 12 GLN N N 42 116.800 116.530 0.270 1
1 119 . 5 1 1 A 13 13 GLY H H 43 7.810 8.512 -0.702 1
1 120 . 5 1 1 A 13 13 GLY HA2 H 43 3.850 3.728 0.122 1
1 121 . 5 1 1 A 13 13 GLY HA3 H 43 3.910 3.729 0.181 1
1 122 . 5 1 1 A 13 13 GLY C C 43 173.000 175.922 -2.922 1
1 123 . 5 1 1 A 13 13 GLY CA C 43 43.800 47.205 -3.405 1
1 124 . 5 1 1 A 13 13 GLY N N 43 105.400 109.812 -4.412 1
1 125 . 5 1 1 A 14 14 LEU H H 44 7.650 8.344 -0.694 1
1 126 . 5 1 1 A 14 14 LEU HA H 44 4.210 4.014 0.196 1
1 136 . 5 1 1 A 14 14 LEU C C 44 176.000 178.850 -2.850 1
1 137 . 5 1 1 A 14 14 LEU CA C 44 54.200 58.332 -4.132 1
1 138 . 5 1 1 A 14 14 LEU CB C 44 40.000 41.314 -1.314 1
1 142 . 5 1 1 A 14 14 LEU N N 44 120.900 121.591 -0.691 1
1 143 . 5 1 1 A 15 15 VAL H H 45 7.760 7.844 -0.084 1
1 144 . 5 1 1 A 15 15 VAL HA H 45 3.740 3.683 0.057 1
1 152 . 5 1 1 A 15 15 VAL C C 45 173.100 177.617 -4.517 1
1 153 . 5 1 1 A 15 15 VAL CA C 45 61.800 66.716 -4.916 1
1 154 . 5 1 1 A 15 15 VAL CB C 45 29.100 31.140 -2.040 1
1 157 . 5 1 1 A 15 15 VAL N N 45 117.200 120.005 -2.805 1
1 158 . 5 1 1 A 16 16 ASN H H 46 7.820 8.090 -0.270 1
1 159 . 5 1 1 A 16 16 ASN HA H 46 4.600 4.520 0.080 1
1 161 . 5 1 1 A 16 16 ASN CA C 46 51.400 56.325 -4.925 1
1 162 . 5 1 1 A 16 16 ASN CB C 46 36.000 38.954 -2.954 1
1 163 . 5 1 1 A 16 16 ASN N N 46 118.400 118.821 -0.421 1
1 164 . 5 1 1 A 17 17 SER H H 47 8.160 7.460 0.700 1
1 165 . 5 1 1 A 17 17 SER HA H 47 4.380 4.775 -0.395 1
1 168 . 5 1 1 A 17 17 SER CA C 47 57.900 57.132 0.768 1
1 169 . 5 1 1 A 17 17 SER CB C 47 61.000 63.067 -2.067 1
1 170 . 5 1 1 A 18 18 THR H H 48 8.130 7.754 0.376 1
1 171 . 5 1 1 A 18 18 THR HA H 48 3.990 4.538 -0.548 1
1 176 . 5 1 1 A 18 18 THR C C 48 173.800 175.148 -1.348 1
1 177 . 5 1 1 A 18 18 THR CA C 48 63.500 64.048 -0.548 1
1 178 . 5 1 1 A 18 18 THR CB C 48 66.000 70.174 -4.174 1
1 180 . 5 1 1 A 18 18 THR N N 48 118.300 114.645 3.655 1
1 181 . 5 1 1 A 19 19 VAL H H 49 8.100 8.528 -0.428 1
1 182 . 5 1 1 A 19 19 VAL HA H 49 3.640 3.830 -0.190 1
1 190 . 5 1 1 A 19 19 VAL C C 49 174.700 178.076 -3.376 1
1 191 . 5 1 1 A 19 19 VAL CA C 49 64.000 65.110 -1.110 1
1 192 . 5 1 1 A 19 19 VAL CB C 49 29.000 31.519 -2.519 1
1 195 . 5 1 1 A 19 19 VAL N N 49 120.800 121.290 -0.490 1
1 196 . 5 1 1 A 20 20 THR H H 50 7.830 8.220 -0.390 1
1 197 . 5 1 1 A 20 20 THR HA H 50 3.740 3.905 -0.165 1
1 202 . 5 1 1 A 20 20 THR C C 50 173.800 177.089 -3.289 1
1 203 . 5 1 1 A 20 20 THR CA C 50 64.400 65.274 -0.874 1
1 204 . 5 1 1 A 20 20 THR CB C 50 65.500 68.792 -3.292 1
1 206 . 5 1 1 A 20 20 THR N N 50 114.000 116.571 -2.571 1
1 207 . 5 1 1 A 21 21 GLN H H 51 7.920 8.010 -0.090 1
1 208 . 5 1 1 A 21 21 GLN HA H 51 3.970 4.110 -0.140 1
1 211 . 5 1 1 A 21 21 GLN C C 51 175.900 178.834 -2.934 1
1 212 . 5 1 1 A 21 21 GLN CA C 51 56.300 58.816 -2.516 1
1 213 . 5 1 1 A 21 21 GLN CB C 51 25.700 27.936 -2.236 1
1 215 . 5 1 1 A 21 21 GLN N N 51 118.400 120.195 -1.795 1
1 216 . 5 1 1 A 22 22 ALA H H 52 7.960 7.899 0.061 1
1 217 . 5 1 1 A 22 22 ALA HA H 52 4.160 4.154 0.006 1
1 221 . 5 1 1 A 22 22 ALA C C 52 176.800 180.182 -3.382 1
1 222 . 5 1 1 A 22 22 ALA CA C 52 52.800 55.306 -2.506 1
1 223 . 5 1 1 A 22 22 ALA CB C 52 15.700 18.123 -2.423 1
1 224 . 5 1 1 A 22 22 ALA N N 52 122.200 122.881 -0.681 1
1 225 . 5 1 1 A 23 23 ILE H H 53 8.100 7.970 0.130 1
1 226 . 5 1 1 A 23 23 ILE HA H 53 3.660 3.729 -0.069 1
1 236 . 5 1 1 A 23 23 ILE C C 53 175.300 178.441 -3.141 1
1 237 . 5 1 1 A 23 23 ILE CA C 53 62.700 65.405 -2.705 1
1 238 . 5 1 1 A 23 23 ILE CB C 53 35.100 38.127 -3.027 1
1 242 . 5 1 1 A 23 23 ILE N N 53 117.500 119.071 -1.571 1
1 243 . 5 1 1 A 24 24 LEU H H 54 8.160 7.858 0.302 1
1 244 . 5 1 1 A 24 24 LEU HA H 54 3.970 3.950 0.020 1
1 254 . 5 1 1 A 24 24 LEU C C 54 176.600 178.985 -2.385 1
1 255 . 5 1 1 A 24 24 LEU CA C 54 55.500 58.342 -2.842 1
1 256 . 5 1 1 A 24 24 LEU CB C 54 38.700 41.910 -3.210 1
1 260 . 5 1 1 A 24 24 LEU N N 54 118.900 118.967 -0.067 1
1 261 . 5 1 1 A 25 25 PHE H H 55 8.200 8.854 -0.654 1
1 262 . 5 1 1 A 25 25 PHE HA H 55 4.240 4.089 0.151 1
1 267 . 5 1 1 A 25 25 PHE C C 55 176.300 177.923 -1.623 1
1 268 . 5 1 1 A 25 25 PHE CA C 55 58.500 61.380 -2.880 1
1 269 . 5 1 1 A 25 25 PHE CB C 55 36.300 38.987 -2.687 1
1 273 . 5 1 1 A 25 25 PHE N N 55 119.100 118.580 0.520 1
1 274 . 5 1 1 A 26 26 GLY H H 56 8.570 8.867 -0.297 1
1 275 . 5 1 1 A 26 26 GLY HA2 H 56 3.580 3.622 -0.042 1
1 276 . 5 1 1 A 26 26 GLY HA3 H 56 3.670 3.722 -0.052 1
1 277 . 5 1 1 A 26 26 GLY C C 56 172.200 175.884 -3.684 1
1 278 . 5 1 1 A 26 26 GLY CA C 56 44.900 47.051 -2.151 1
1 279 . 5 1 1 A 26 26 GLY N N 56 108.900 106.649 2.251 1
1 280 . 5 1 1 A 27 27 VAL H H 57 8.550 8.320 0.230 1
1 281 . 5 1 1 A 27 27 VAL HA H 57 3.640 3.647 -0.007 1
1 289 . 5 1 1 A 27 27 VAL C C 57 175.000 177.735 -2.735 1
1 290 . 5 1 1 A 27 27 VAL CA C 57 63.800 65.894 -2.094 1
1 291 . 5 1 1 A 27 27 VAL CB C 57 29.000 31.564 -2.564 1
1 294 . 5 1 1 A 27 27 VAL N N 57 120.000 122.231 -2.231 1
1 295 . 5 1 1 A 28 28 ARG H H 58 8.030 8.242 -0.212 1
1 296 . 5 1 1 A 28 28 ARG HA H 58 4.020 3.961 0.059 1
1 301 . 5 1 1 A 28 28 ARG C C 58 176.700 178.853 -2.153 1
1 302 . 5 1 1 A 28 28 ARG CA C 58 56.700 59.706 -3.006 1
1 303 . 5 1 1 A 28 28 ARG CB C 58 27.600 29.789 -2.189 1
1 306 . 5 1 1 A 28 28 ARG N N 58 118.300 119.745 -1.445 1
1 307 . 5 1 1 A 29 29 SER H H 59 8.020 8.546 -0.526 1
1 308 . 5 1 1 A 29 29 SER HA H 59 4.280 3.956 0.324 1
1 310 . 5 1 1 A 29 29 SER C C 59 173.300 176.947 -3.647 1
1 311 . 5 1 1 A 29 29 SER CA C 59 58.200 60.954 -2.754 1
1 312 . 5 1 1 A 29 29 SER CB C 59 60.700 61.769 -1.069 1
1 313 . 5 1 1 A 29 29 SER N N 59 114.700 113.712 0.988 1
1 314 . 5 1 1 A 30 30 GLY H H 60 8.310 8.274 0.036 1
1 315 . 5 1 1 A 30 30 GLY HA2 H 60 3.630 3.750 -0.120 1
1 316 . 5 1 1 A 30 30 GLY HA3 H 60 3.750 3.755 -0.005 1
1 317 . 5 1 1 A 30 30 GLY C C 60 171.900 175.771 -3.871 1
1 318 . 5 1 1 A 30 30 GLY CA C 60 44.500 47.429 -2.929 1
1 319 . 5 1 1 A 30 30 GLY N N 60 109.700 110.048 -0.348 1
1 320 . 5 1 1 A 31 31 ALA H H 61 8.330 7.965 0.365 1
1 321 . 5 1 1 A 31 31 ALA HA H 61 3.970 4.065 -0.095 1
1 325 . 5 1 1 A 31 31 ALA C C 61 177.200 179.784 -2.584 1
1 326 . 5 1 1 A 31 31 ALA CA C 61 52.900 54.768 -1.868 1
1 327 . 5 1 1 A 31 31 ALA CB C 61 15.500 18.247 -2.747 1
1 328 . 5 1 1 A 31 31 ALA N N 61 122.700 124.511 -1.811 1
1 329 . 5 1 1 A 32 32 ALA H H 62 7.860 8.331 -0.471 1
1 330 . 5 1 1 A 32 32 ALA HA H 62 4.120 4.033 0.087 1
1 334 . 5 1 1 A 32 32 ALA C C 62 177.400 179.893 -2.493 1
1 335 . 5 1 1 A 32 32 ALA CA C 62 52.200 54.952 -2.752 1
1 336 . 5 1 1 A 32 32 ALA CB C 62 15.600 18.312 -2.712 1
1 337 . 5 1 1 A 32 32 ALA N N 62 120.400 119.829 0.571 1
1 338 . 5 1 1 A 33 33 ALA H H 63 7.920 8.293 -0.373 1
1 339 . 5 1 1 A 33 33 ALA HA H 63 4.070 4.063 0.007 1
1 343 . 5 1 1 A 33 33 ALA C C 63 176.200 179.603 -3.403 1
1 344 . 5 1 1 A 33 33 ALA CA C 63 52.100 55.014 -2.914 1
1 345 . 5 1 1 A 33 33 ALA CB C 63 15.800 18.185 -2.385 1
1 346 . 5 1 1 A 33 33 ALA N N 63 120.100 120.658 -0.558 1
1 347 . 5 1 1 A 34 34 LEU H H 64 8.090 8.136 -0.046 1
1 348 . 5 1 1 A 34 34 LEU HA H 64 3.980 4.062 -0.082 1
1 358 . 5 1 1 A 34 34 LEU C C 64 175.900 178.775 -2.875 1
1 359 . 5 1 1 A 34 34 LEU CA C 64 55.500 57.823 -2.323 1
1 360 . 5 1 1 A 34 34 LEU CB C 64 39.100 41.685 -2.585 1
1 364 . 5 1 1 A 34 34 LEU N N 64 116.400 120.141 -3.741 1
1 365 . 5 1 1 A 35 35 THR H H 65 7.860 8.168 -0.308 1
1 366 . 5 1 1 A 35 35 THR HA H 65 3.770 3.970 -0.200 1
1 371 . 5 1 1 A 35 35 THR C C 65 173.100 176.592 -3.492 1
1 372 . 5 1 1 A 35 35 THR CA C 65 64.600 65.133 -0.533 1
1 373 . 5 1 1 A 35 35 THR CB C 65 66.000 68.742 -2.742 1
1 375 . 5 1 1 A 35 35 THR N N 65 113.500 114.219 -0.719 1
1 376 . 5 1 1 A 36 36 LEU H H 66 7.430 7.746 -0.316 1
1 377 . 5 1 1 A 36 36 LEU HA H 66 4.000 4.131 -0.131 1
1 387 . 5 1 1 A 36 36 LEU C C 66 176.800 178.494 -1.694 1
1 388 . 5 1 1 A 36 36 LEU CA C 66 55.500 58.161 -2.661 1
1 389 . 5 1 1 A 36 36 LEU CB C 66 39.200 41.408 -2.208 1
1 393 . 5 1 1 A 36 36 LEU N N 66 120.200 120.078 0.122 1
1 394 . 5 1 1 A 37 37 ILE H H 67 7.750 8.197 -0.447 1
1 395 . 5 1 1 A 37 37 ILE HA H 67 3.800 3.637 0.163 1
1 405 . 5 1 1 A 37 37 ILE C C 67 175.000 178.082 -3.082 1
1 406 . 5 1 1 A 37 37 ILE CA C 67 62.600 65.304 -2.704 1
1 407 . 5 1 1 A 37 37 ILE CB C 67 35.300 37.902 -2.602 1
1 411 . 5 1 1 A 37 37 ILE N N 67 119.600 120.276 -0.676 1
1 412 . 5 1 1 A 38 38 VAL H H 68 8.250 8.235 0.015 1
1 413 . 5 1 1 A 38 38 VAL HA H 68 3.590 3.658 -0.068 1
1 421 . 5 1 1 A 38 38 VAL C C 68 176.600 177.678 -1.078 1
1 422 . 5 1 1 A 38 38 VAL CA C 68 65.000 65.404 -0.404 1
1 423 . 5 1 1 A 38 38 VAL CB C 68 28.900 31.170 -2.270 1
1 426 . 5 1 1 A 38 38 VAL N N 68 119.600 120.845 -1.245 1
1 427 . 5 1 1 A 39 39 VAL H H 69 8.370 8.059 0.311 1
1 428 . 5 1 1 A 39 39 VAL HA H 69 3.620 3.673 -0.053 1
1 436 . 5 1 1 A 39 39 VAL C C 69 175.800 177.915 -2.115 1
1 437 . 5 1 1 A 39 39 VAL CA C 69 64.200 66.743 -2.543 1
1 438 . 5 1 1 A 39 39 VAL CB C 69 28.900 31.689 -2.789 1
1 441 . 5 1 1 A 39 39 VAL N N 69 121.700 121.144 0.556 1
1 442 . 5 1 1 A 40 40 TRP H H 70 8.320 8.507 -0.187 1
1 443 . 5 1 1 A 40 40 TRP HA H 70 4.150 4.278 -0.128 1
1 449 . 5 1 1 A 40 40 TRP C C 70 176.600 178.494 -1.894 1
1 450 . 5 1 1 A 40 40 TRP CA C 70 59.700 61.204 -1.504 1
1 451 . 5 1 1 A 40 40 TRP CB C 70 26.400 29.511 -3.111 1
1 454 . 5 1 1 A 40 40 TRP N N 70 122.400 120.788 1.612 1
1 456 . 5 1 1 A 41 41 ILE H H 71 8.780 8.057 0.723 1
1 457 . 5 1 1 A 41 41 ILE HA H 71 3.510 3.270 0.240 1
1 467 . 5 1 1 A 41 41 ILE C C 71 175.600 178.614 -3.014 1
1 468 . 5 1 1 A 41 41 ILE CA C 71 62.500 64.498 -1.998 1
1 469 . 5 1 1 A 41 41 ILE CB C 71 35.700 37.605 -1.905 1
1 473 . 5 1 1 A 41 41 ILE N N 71 117.500 120.961 -3.461 1
1 474 . 5 1 1 A 42 42 THR H H 72 8.280 7.782 0.498 1
1 475 . 5 1 1 A 42 42 THR HA H 72 4.000 4.108 -0.108 1
1 480 . 5 1 1 A 42 42 THR C C 72 173.800 176.481 -2.681 1
1 481 . 5 1 1 A 42 42 THR CA C 72 62.500 65.406 -2.906 1
1 482 . 5 1 1 A 42 42 THR CB C 72 66.500 69.178 -2.678 1
1 484 . 5 1 1 A 42 42 THR N N 72 110.700 115.188 -4.488 1
1 485 . 5 1 1 A 43 43 SER H H 73 7.810 7.981 -0.171 1
1 486 . 5 1 1 A 43 43 SER HA H 73 4.320 4.244 0.076 1
1 488 . 5 1 1 A 43 43 SER C C 73 172.800 174.259 -1.459 1
1 489 . 5 1 1 A 43 43 SER CA C 73 57.600 60.928 -3.328 1
1 490 . 5 1 1 A 43 43 SER CB C 73 60.900 63.468 -2.568 1
1 491 . 5 1 1 A 43 43 SER N N 73 115.900 115.735 0.165 1
1 492 . 5 1 1 A 44 44 ARG H H 74 7.490 7.577 -0.087 1
1 493 . 5 1 1 A 44 44 ARG HA H 74 4.120 4.023 0.097 1
1 500 . 5 1 1 A 44 44 ARG C C 74 174.200 176.141 -1.941 1
1 501 . 5 1 1 A 44 44 ARG CA C 74 53.600 57.127 -3.527 1
1 502 . 5 1 1 A 44 44 ARG CB C 74 27.700 28.313 -0.613 1
1 505 . 5 1 1 A 44 44 ARG N N 74 120.100 121.368 -1.268 1
1 506 . 5 1 1 A 45 45 SER H H 75 7.890 7.897 -0.007 1
1 507 . 5 1 1 A 45 45 SER HA H 75 4.210 4.492 -0.282 1
1 509 . 5 1 1 A 45 45 SER C C 75 172.300 175.965 -3.665 1
1 510 . 5 1 1 A 45 45 SER CA C 75 56.800 58.497 -1.697 1
1 511 . 5 1 1 A 45 45 SER CB C 75 60.900 64.027 -3.127 1
1 512 . 5 1 1 A 45 45 SER N N 75 114.400 114.673 -0.273 1
1 513 . 5 1 1 A 46 46 ARG H H 76 7.850 9.175 -1.325 1
1 514 . 5 1 1 A 46 46 ARG HA H 76 4.220 4.169 0.051 1
1 519 . 5 1 1 A 46 46 ARG C C 76 173.500 176.994 -3.494 1
1 520 . 5 1 1 A 46 46 ARG CA C 76 53.900 58.292 -4.392 1
1 521 . 5 1 1 A 46 46 ARG CB C 76 27.800 30.011 -2.211 1
1 524 . 5 1 1 A 46 46 ARG N N 76 120.600 129.705 -9.105 1
1 525 . 5 1 1 A 47 47 LYS H H 77 7.900 8.356 -0.456 1
1 526 . 5 1 1 A 47 47 LYS HA H 77 4.320 4.132 0.188 1
1 533 . 5 1 1 A 47 47 LYS C C 77 173.600 176.785 -3.185 1
1 534 . 5 1 1 A 47 47 LYS CA C 77 53.400 57.780 -4.380 1
1 535 . 5 1 1 A 47 47 LYS CB C 77 30.500 31.633 -1.133 1
1 539 . 5 1 1 A 47 47 LYS N N 77 119.100 116.299 2.801 1
1 540 . 5 1 1 A 48 48 THR H H 78 7.840 7.344 0.496 1
1 541 . 5 1 1 A 48 48 THR HA H 78 4.390 4.485 -0.095 1
1 546 . 5 1 1 A 48 48 THR C C 78 174.000 173.016 0.984 1
1 547 . 5 1 1 A 48 48 THR CA C 78 59.500 58.495 1.005 1
1 548 . 5 1 1 A 48 48 THR CB C 78 66.600 68.731 -2.131 1
1 550 . 5 1 1 A 48 48 THR N N 78 116.200 109.296 6.904 1
1 551 . 5 1 1 A 49 49 PRO HA H 79 4.410 4.489 -0.079 1
1 557 . 5 1 1 A 49 49 PRO CA C 79 60.800 62.512 -1.712 1
1 558 . 5 1 1 A 49 49 PRO CB C 79 28.900 32.815 -3.915 1
1 561 . 5 1 1 A 50 50 ILE H H 80 7.850 8.521 -0.671 1
1 562 . 5 1 1 A 50 50 ILE HA H 80 3.880 3.698 0.182 1
1 572 . 5 1 1 A 50 50 ILE C C 80 173.500 177.605 -4.105 1
1 573 . 5 1 1 A 50 50 ILE CA C 80 59.800 64.283 -4.483 1
1 574 . 5 1 1 A 50 50 ILE CB C 80 35.600 37.710 -2.110 1
1 578 . 5 1 1 A 50 50 ILE N N 80 119.400 123.254 -3.854 1
1 579 . 5 1 1 A 51 51 PHE H H 81 7.730 8.155 -0.425 1
1 580 . 5 1 1 A 51 51 PHE HA H 81 4.500 4.167 0.333 1
1 585 . 5 1 1 A 51 51 PHE CA C 81 56.200 60.697 -4.497 1
1 586 . 5 1 1 A 51 51 PHE CB C 81 36.500 38.621 -2.121 1
1 590 . 5 1 1 A 51 51 PHE N N 81 118.900 122.246 -3.346 1
1 591 . 5 1 1 A 52 52 ILE H H 82 7.420 7.528 -0.108 1
1 592 . 5 1 1 A 52 52 ILE HA H 82 3.880 2.990 0.890 1
1 602 . 5 1 1 A 52 52 ILE C C 82 173.800 178.065 -4.265 1
1 603 . 5 1 1 A 52 52 ILE CA C 82 59.700 64.405 -4.705 1
1 604 . 5 1 1 A 52 52 ILE CB C 82 35.400 37.543 -2.143 1
1 608 . 5 1 1 A 52 52 ILE N N 82 118.000 118.881 -0.881 1
1 609 . 5 1 1 A 53 53 ILE H H 83 7.540 7.853 -0.313 1
1 610 . 5 1 1 A 53 53 ILE HA H 83 3.890 3.444 0.446 1
1 620 . 5 1 1 A 53 53 ILE C C 83 174.300 178.306 -4.006 1
1 621 . 5 1 1 A 53 53 ILE CA C 83 59.800 65.185 -5.385 1
1 622 . 5 1 1 A 53 53 ILE CB C 83 35.600 37.449 -1.849 1
1 626 . 5 1 1 A 53 53 ILE N N 83 119.300 120.020 -0.720 1
1 627 . 5 1 1 A 54 54 ASN H H 84 8.030 8.607 -0.577 1
1 628 . 5 1 1 A 54 54 ASN HA H 84 4.620 4.341 0.279 1
1 631 . 5 1 1 A 54 54 ASN CA C 84 51.500 56.896 -5.396 1
1 632 . 5 1 1 A 54 54 ASN CB C 84 36.500 38.927 -2.427 1
1 633 . 5 1 1 A 54 54 ASN N N 84 118.300 119.529 -1.229 1
1 634 . 5 1 1 A 55 55 GLN H H 85 8.040 7.981 0.059 1
1 635 . 5 1 1 A 55 55 GLN HA H 85 4.210 4.050 0.160 1
1 639 . 5 1 1 A 55 55 GLN CA C 85 54.400 58.824 -4.424 1
1 640 . 5 1 1 A 55 55 GLN CB C 85 25.600 29.165 -3.565 1
1 642 . 5 1 1 A 56 56 VAL H H 86 7.720 8.116 -0.396 1
1 643 . 5 1 1 A 56 56 VAL HA H 86 3.800 3.966 -0.166 1
1 651 . 5 1 1 A 56 56 VAL C C 86 174.200 177.956 -3.756 1
1 652 . 5 1 1 A 56 56 VAL CA C 86 62.700 65.236 -2.536 1
1 653 . 5 1 1 A 56 56 VAL CB C 86 29.100 31.604 -2.504 1
1 656 . 5 1 1 A 56 56 VAL N N 86 118.700 119.432 -0.732 1
1 657 . 5 1 1 A 57 57 SER H H 87 8.080 8.146 -0.066 1
1 658 . 5 1 1 A 57 57 SER HA H 87 4.200 4.065 0.135 1
1 660 . 5 1 1 A 57 57 SER C C 87 173.800 177.334 -3.534 1
1 661 . 5 1 1 A 57 57 SER CA C 87 58.400 61.728 -3.328 1
1 662 . 5 1 1 A 57 57 SER CB C 87 60.000 63.134 -3.134 1
1 663 . 5 1 1 A 57 57 SER N N 87 115.300 117.260 -1.960 1
1 664 . 5 1 1 A 58 58 LEU H H 88 7.780 8.390 -0.610 1
1 665 . 5 1 1 A 58 58 LEU HA H 88 4.060 3.883 0.177 1
1 675 . 5 1 1 A 58 58 LEU CA C 88 55.300 57.844 -2.544 1
1 676 . 5 1 1 A 58 58 LEU CB C 88 39.200 41.788 -2.588 1
1 680 . 5 1 1 A 58 58 LEU N N 88 121.900 121.792 0.108 1
1 681 . 5 1 1 A 59 59 PHE H H 89 7.980 8.367 -0.387 1
1 682 . 5 1 1 A 59 59 PHE HA H 89 4.190 4.289 -0.099 1
1 687 . 5 1 1 A 59 59 PHE C C 89 174.600 178.078 -3.478 1
1 688 . 5 1 1 A 59 59 PHE CA C 89 58.300 60.458 -2.158 1
1 689 . 5 1 1 A 59 59 PHE CB C 89 35.900 39.164 -3.264 1
1 693 . 5 1 1 A 59 59 PHE N N 89 117.100 117.869 -0.769 1
1 694 . 5 1 1 A 60 60 LEU H H 90 8.010 8.977 -0.967 1
1 695 . 5 1 1 A 60 60 LEU HA H 90 3.870 3.871 -0.001 1
1 705 . 5 1 1 A 60 60 LEU C C 90 176.800 179.272 -2.472 1
1 706 . 5 1 1 A 60 60 LEU CA C 90 55.400 58.490 -3.090 1
1 707 . 5 1 1 A 60 60 LEU CB C 90 38.900 42.099 -3.199 1
1 711 . 5 1 1 A 60 60 LEU N N 90 117.700 119.635 -1.935 1
1 712 . 5 1 1 A 61 61 ILE H H 91 7.910 8.039 -0.129 1
1 713 . 5 1 1 A 61 61 ILE HA H 91 3.790 3.585 0.205 1
1 723 . 5 1 1 A 61 61 ILE CA C 91 62.500 65.557 -3.057 1
1 724 . 5 1 1 A 61 61 ILE CB C 91 35.400 37.705 -2.305 1
1 728 . 5 1 1 A 61 61 ILE N N 91 118.400 118.009 0.391 1
1 729 . 5 1 1 A 62 62 ILE H H 92 7.930 8.583 -0.653 1
1 730 . 5 1 1 A 62 62 ILE HA H 92 3.620 3.552 0.068 1
1 740 . 5 1 1 A 62 62 ILE C C 92 175.000 178.309 -3.309 1
1 741 . 5 1 1 A 62 62 ILE CA C 92 62.800 65.591 -2.791 1
1 742 . 5 1 1 A 62 62 ILE CB C 92 34.600 37.919 -3.319 1
1 746 . 5 1 1 A 62 62 ILE N N 92 121.800 120.337 1.463 1
1 747 . 5 1 1 A 63 63 LEU H H 93 8.250 8.842 -0.592 1
1 748 . 5 1 1 A 63 63 LEU HA H 93 3.880 4.030 -0.150 1
1 758 . 5 1 1 A 63 63 LEU C C 93 175.900 179.165 -3.265 1
1 759 . 5 1 1 A 63 63 LEU CA C 93 55.800 58.463 -2.663 1
1 760 . 5 1 1 A 63 63 LEU CB C 93 39.100 42.133 -3.033 1
1 764 . 5 1 1 A 63 63 LEU N N 93 119.800 119.507 0.293 1
1 765 . 5 1 1 A 64 64 HIS H H 94 8.330 8.724 -0.394 1
1 766 . 5 1 1 A 64 64 HIS HA H 94 4.290 4.166 0.124 1
1 770 . 5 1 1 A 64 64 HIS C C 94 175.200 176.722 -1.522 1
1 771 . 5 1 1 A 64 64 HIS CA C 94 56.000 59.936 -3.936 1
1 772 . 5 1 1 A 64 64 HIS CB C 94 25.900 29.565 -3.665 1
1 775 . 5 1 1 A 64 64 HIS N N 94 114.700 118.348 -3.648 1
1 776 . 5 1 1 A 65 65 SER H H 95 8.150 8.555 -0.405 1
1 777 . 5 1 1 A 65 65 SER HA H 95 4.250 3.872 0.378 1
1 779 . 5 1 1 A 65 65 SER C C 95 172.500 177.412 -4.912 1
1 780 . 5 1 1 A 65 65 SER CA C 95 59.900 61.852 -1.952 1
1 781 . 5 1 1 A 65 65 SER CB C 95 60.500 63.002 -2.502 1
1 782 . 5 1 1 A 65 65 SER N N 95 116.200 114.008 2.192 1
1 783 . 5 1 1 A 66 66 ALA H H 96 8.220 8.440 -0.220 1
1 784 . 5 1 1 A 66 66 ALA HA H 96 4.080 4.414 -0.334 1
1 788 . 5 1 1 A 66 66 ALA C C 96 176.400 180.077 -3.677 1
1 789 . 5 1 1 A 66 66 ALA CA C 96 52.600 55.327 -2.727 1
1 790 . 5 1 1 A 66 66 ALA CB C 96 15.600 18.096 -2.496 1
1 791 . 5 1 1 A 66 66 ALA N N 96 123.500 123.538 -0.038 1
1 792 . 5 1 1 A 67 67 LEU H H 97 7.870 8.811 -0.941 1
1 793 . 5 1 1 A 67 67 LEU HA H 97 3.980 3.994 -0.014 1
1 803 . 5 1 1 A 67 67 LEU C C 97 176.700 178.965 -2.265 1
1 804 . 5 1 1 A 67 67 LEU CA C 97 55.000 58.031 -3.031 1
1 805 . 5 1 1 A 67 67 LEU CB C 97 38.700 42.189 -3.489 1
1 809 . 5 1 1 A 67 67 LEU N N 97 115.800 118.942 -3.142 1
1 810 . 5 1 1 A 68 68 TYR H H 98 7.830 8.633 -0.803 1
1 811 . 5 1 1 A 68 68 TYR HA H 98 4.320 4.218 0.102 1
1 816 . 5 1 1 A 68 68 TYR C C 98 174.900 177.736 -2.836 1
1 817 . 5 1 1 A 68 68 TYR CA C 98 58.200 61.894 -3.694 1
1 818 . 5 1 1 A 68 68 TYR CB C 98 35.500 38.413 -2.913 1
1 821 . 5 1 1 A 68 68 TYR N N 98 120.300 119.269 1.031 1
1 822 . 5 1 1 A 69 69 PHE H H 99 8.110 8.699 -0.589 1
1 823 . 5 1 1 A 69 69 PHE HA H 99 4.200 4.279 -0.079 1
1 828 . 5 1 1 A 69 69 PHE C C 99 173.600 177.675 -4.075 1
1 829 . 5 1 1 A 69 69 PHE CA C 99 58.400 61.665 -3.265 1
1 830 . 5 1 1 A 69 69 PHE CB C 99 36.100 39.307 -3.207 1
1 834 . 5 1 1 A 69 69 PHE N N 99 117.600 121.079 -3.479 1
1 835 . 5 1 1 A 70 70 LYS H H 100 8.030 8.508 -0.478 1
1 836 . 5 1 1 A 70 70 LYS HA H 100 3.800 3.749 0.051 1
1 843 . 5 1 1 A 70 70 LYS C C 100 175.700 178.539 -2.839 1
1 844 . 5 1 1 A 70 70 LYS CA C 100 57.300 59.356 -2.056 1
1 845 . 5 1 1 A 70 70 LYS CB C 100 29.500 32.153 -2.653 1
1 849 . 5 1 1 A 70 70 LYS N N 100 118.300 117.696 0.604 1
1 850 . 5 1 1 A 71 71 TYR H H 101 7.720 8.508 -0.788 1
1 851 . 5 1 1 A 71 71 TYR HA H 101 4.210 4.051 0.159 1
1 856 . 5 1 1 A 71 71 TYR C C 101 175.300 177.193 -1.893 1
1 857 . 5 1 1 A 71 71 TYR CA C 101 57.800 61.255 -3.455 1
1 858 . 5 1 1 A 71 71 TYR CB C 101 34.700 38.628 -3.928 1
1 861 . 5 1 1 A 71 71 TYR N N 101 119.600 121.235 -1.635 1
1 862 . 5 1 1 A 72 72 LEU H H 102 7.950 8.408 -0.458 1
1 863 . 5 1 1 A 72 72 LEU HA H 102 3.800 3.836 -0.036 1
1 870 . 5 1 1 A 72 72 LEU C C 102 176.300 179.152 -2.852 1
1 871 . 5 1 1 A 72 72 LEU CA C 102 55.100 58.198 -3.098 1
1 872 . 5 1 1 A 72 72 LEU CB C 102 39.500 41.779 -2.279 1
1 876 . 5 1 1 A 72 72 LEU N N 102 121.000 120.667 0.333 1
1 877 . 5 1 1 A 73 73 LEU H H 103 7.870 8.014 -0.144 1
1 878 . 5 1 1 A 73 73 LEU HA H 103 4.030 4.142 -0.112 1
1 888 . 5 1 1 A 73 73 LEU C C 103 176.200 178.593 -2.393 1
1 889 . 5 1 1 A 73 73 LEU CA C 103 54.500 58.015 -3.515 1
1 890 . 5 1 1 A 73 73 LEU CB C 103 39.200 41.100 -1.900 1
1 894 . 5 1 1 A 73 73 LEU N N 103 116.900 117.898 -0.998 1
1 895 . 5 1 1 A 74 74 SER H H 104 7.780 8.296 -0.516 1
1 896 . 5 1 1 A 74 74 SER HA H 104 4.230 3.963 0.267 1
1 898 . 5 1 1 A 74 74 SER C C 104 172.800 177.190 -4.390 1
1 899 . 5 1 1 A 74 74 SER CA C 104 57.900 61.497 -3.597 1
1 900 . 5 1 1 A 74 74 SER CB C 104 60.800 62.766 -1.966 1
1 901 . 5 1 1 A 74 74 SER N N 104 113.200 115.166 -1.966 1
1 902 . 5 1 1 A 75 75 ASN H H 105 7.720 7.546 0.174 1
1 903 . 5 1 1 A 75 75 ASN HA H 105 4.530 4.333 0.197 1
1 906 . 5 1 1 A 75 75 ASN C C 105 173.100 177.380 -4.280 1
1 907 . 5 1 1 A 75 75 ASN CA C 105 51.800 55.922 -4.122 1
1 908 . 5 1 1 A 75 75 ASN CB C 105 36.600 38.281 -1.681 1
1 909 . 5 1 1 A 75 75 ASN N N 105 118.400 119.362 -0.962 1
1 910 . 5 1 1 A 76 76 TYR H H 106 7.720 7.537 0.183 1
1 911 . 5 1 1 A 76 76 TYR HA H 106 4.380 4.390 -0.010 1
1 916 . 5 1 1 A 76 76 TYR C C 106 173.000 177.301 -4.301 1
1 917 . 5 1 1 A 76 76 TYR CA C 106 56.700 59.382 -2.682 1
1 918 . 5 1 1 A 76 76 TYR CB C 106 36.100 37.707 -1.607 1
1 921 . 5 1 1 A 76 76 TYR N N 106 118.900 118.415 0.485 1
1 922 . 5 1 1 A 77 77 SER H H 107 7.650 7.948 -0.298 1
1 923 . 5 1 1 A 77 77 SER HA H 107 4.330 4.480 -0.150 1
1 926 . 5 1 1 A 77 77 SER C C 107 171.800 172.938 -1.138 1
1 927 . 5 1 1 A 77 77 SER CA C 107 55.800 57.181 -1.381 1
1 928 . 5 1 1 A 77 77 SER CB C 107 61.400 61.662 -0.262 1
1 929 . 5 1 1 A 77 77 SER N N 107 114.300 114.155 0.145 1
1 930 . 5 1 1 A 78 78 SER H H 108 7.940 8.553 -0.613 1
1 931 . 5 1 1 A 78 78 SER HA H 108 4.440 5.357 -0.917 1
1 933 . 5 1 1 A 78 78 SER C C 108 171.900 173.413 -1.513 1
1 934 . 5 1 1 A 78 78 SER CA C 108 55.800 57.138 -1.338 1
1 935 . 5 1 1 A 78 78 SER CB C 108 61.200 66.120 -4.920 1
1 936 . 5 1 1 A 78 78 SER N N 108 116.600 121.517 -4.917 1
1 937 . 5 1 1 A 79 79 VAL H H 109 7.850 8.613 -0.763 1
1 938 . 5 1 1 A 79 79 VAL HA H 109 4.170 4.587 -0.417 1
1 943 . 5 1 1 A 79 79 VAL C C 109 172.900 173.699 -0.799 1
1 944 . 5 1 1 A 79 79 VAL CA C 109 59.900 60.477 -0.577 1
1 945 . 5 1 1 A 79 79 VAL CB C 109 29.900 35.040 -5.140 1
1 948 . 5 1 1 A 79 79 VAL N N 109 120.200 121.224 -1.024 1
1 3 . 6 1 1 A 2 2 ASN HA H 32 4.710 5.166 -0.456 1
1 6 . 6 1 1 A 2 2 ASN CA C 32 50.800 52.511 -1.711 1
1 7 . 6 1 1 A 2 2 ASN CB C 32 36.400 42.064 -5.664 1
1 8 . 6 1 1 A 3 3 GLY H H 33 8.470 8.436 0.034 1
1 9 . 6 1 1 A 3 3 GLY HA2 H 33 3.890 4.064 -0.174 1
1 10 . 6 1 1 A 3 3 GLY HA3 H 33 3.990 4.066 -0.076 1
1 11 . 6 1 1 A 3 3 GLY C C 33 171.500 172.691 -1.191 1
1 12 . 6 1 1 A 3 3 GLY CA C 33 42.900 44.570 -1.670 1
1 13 . 6 1 1 A 3 3 GLY N N 33 109.300 113.330 -4.030 1
1 14 . 6 1 1 A 4 4 SER H H 34 8.020 8.327 -0.307 1
1 15 . 6 1 1 A 4 4 SER HA H 34 4.480 5.082 -0.602 1
1 17 . 6 1 1 A 4 4 SER C C 34 171.700 174.725 -3.025 1
1 18 . 6 1 1 A 4 4 SER CA C 34 55.600 57.177 -1.577 1
1 19 . 6 1 1 A 4 4 SER CB C 34 61.400 66.128 -4.728 1
1 20 . 6 1 1 A 4 4 SER N N 34 115.200 114.778 0.422 1
1 21 . 6 1 1 A 5 5 THR H H 35 8.030 8.906 -0.876 1
1 22 . 6 1 1 A 5 5 THR HA H 35 4.300 3.962 0.338 1
1 27 . 6 1 1 A 5 5 THR C C 35 171.400 173.421 -2.021 1
1 28 . 6 1 1 A 5 5 THR CA C 35 59.500 62.862 -3.362 1
1 29 . 6 1 1 A 5 5 THR CB C 35 67.200 67.543 -0.343 1
1 31 . 6 1 1 A 5 5 THR N N 35 115.600 117.774 -2.174 1
1 32 . 6 1 1 A 6 6 ILE H H 36 7.850 7.906 -0.056 1
1 33 . 6 1 1 A 6 6 ILE HA H 36 4.260 4.083 0.177 1
1 43 . 6 1 1 A 6 6 ILE C C 36 171.900 176.336 -4.436 1
1 44 . 6 1 1 A 6 6 ILE CA C 36 58.200 61.455 -3.255 1
1 45 . 6 1 1 A 6 6 ILE CB C 36 36.500 38.319 -1.819 1
1 49 . 6 1 1 A 6 6 ILE N N 36 122.000 122.270 -0.270 1
1 50 . 6 1 1 A 7 7 THR H H 37 7.680 8.258 -0.578 1
1 51 . 6 1 1 A 7 7 THR HA H 37 4.570 4.548 0.022 1
1 56 . 6 1 1 A 7 7 THR C C 37 172.800 176.196 -3.396 1
1 57 . 6 1 1 A 7 7 THR CA C 37 57.400 61.594 -4.194 1
1 58 . 6 1 1 A 7 7 THR CB C 37 68.700 70.726 -2.026 1
1 60 . 6 1 1 A 7 7 THR N N 37 114.700 117.924 -3.224 1
1 61 . 6 1 1 A 8 8 PHE H H 38 8.830 9.098 -0.268 1
1 62 . 6 1 1 A 8 8 PHE HA H 38 4.250 4.295 -0.045 1
1 67 . 6 1 1 A 8 8 PHE C C 38 174.700 177.743 -3.043 1
1 68 . 6 1 1 A 8 8 PHE CA C 38 58.400 61.381 -2.981 1
1 69 . 6 1 1 A 8 8 PHE CB C 38 36.000 38.425 -2.425 1
1 73 . 6 1 1 A 8 8 PHE N N 38 120.900 122.087 -1.187 1
1 74 . 6 1 1 A 9 9 ASP H H 39 8.400 8.357 0.043 1
1 75 . 6 1 1 A 9 9 ASP HA H 39 4.280 4.258 0.022 1
1 77 . 6 1 1 A 9 9 ASP C C 39 176.100 179.061 -2.961 1
1 78 . 6 1 1 A 9 9 ASP CA C 39 54.500 57.377 -2.877 1
1 79 . 6 1 1 A 9 9 ASP CB C 39 37.800 40.395 -2.595 1
1 80 . 6 1 1 A 9 9 ASP N N 39 117.400 120.617 -3.217 1
1 81 . 6 1 1 A 10 10 GLU H H 40 7.740 8.317 -0.577 1
1 82 . 6 1 1 A 10 10 GLU HA H 40 4.090 4.024 0.066 1
1 86 . 6 1 1 A 10 10 GLU C C 40 176.100 179.286 -3.186 1
1 87 . 6 1 1 A 10 10 GLU CA C 40 55.700 59.133 -3.433 1
1 88 . 6 1 1 A 10 10 GLU CB C 40 26.800 29.141 -2.341 1
1 90 . 6 1 1 A 10 10 GLU N N 40 118.800 119.286 -0.486 1
1 91 . 6 1 1 A 11 11 LEU H H 41 7.770 8.274 -0.504 1
1 92 . 6 1 1 A 11 11 LEU HA H 41 4.040 3.868 0.172 1
1 102 . 6 1 1 A 11 11 LEU C C 41 175.500 178.895 -3.395 1
1 103 . 6 1 1 A 11 11 LEU CA C 41 54.600 57.892 -3.292 1
1 104 . 6 1 1 A 11 11 LEU CB C 41 39.200 41.587 -2.387 1
1 108 . 6 1 1 A 11 11 LEU N N 41 119.500 120.909 -1.409 1
1 109 . 6 1 1 A 12 12 GLN H H 42 8.070 8.974 -0.904 1
1 110 . 6 1 1 A 12 12 GLN HA H 42 3.770 4.069 -0.299 1
1 114 . 6 1 1 A 12 12 GLN C C 42 175.400 179.630 -4.230 1
1 115 . 6 1 1 A 12 12 GLN CA C 42 56.500 58.930 -2.430 1
1 116 . 6 1 1 A 12 12 GLN CB C 42 25.800 28.342 -2.542 1
1 118 . 6 1 1 A 12 12 GLN N N 42 116.800 116.939 -0.139 1
1 119 . 6 1 1 A 13 13 GLY H H 43 7.810 8.532 -0.722 1
1 120 . 6 1 1 A 13 13 GLY HA2 H 43 3.850 3.683 0.167 1
1 121 . 6 1 1 A 13 13 GLY HA3 H 43 3.910 3.686 0.224 1
1 122 . 6 1 1 A 13 13 GLY C C 43 173.000 175.991 -2.991 1
1 123 . 6 1 1 A 13 13 GLY CA C 43 43.800 47.273 -3.473 1
1 124 . 6 1 1 A 13 13 GLY N N 43 105.400 109.517 -4.117 1
1 125 . 6 1 1 A 14 14 LEU H H 44 7.650 8.125 -0.475 1
1 126 . 6 1 1 A 14 14 LEU HA H 44 4.210 4.011 0.199 1
1 136 . 6 1 1 A 14 14 LEU C C 44 176.000 178.428 -2.428 1
1 137 . 6 1 1 A 14 14 LEU CA C 44 54.200 58.321 -4.121 1
1 138 . 6 1 1 A 14 14 LEU CB C 44 40.000 41.491 -1.491 1
1 142 . 6 1 1 A 14 14 LEU N N 44 120.900 121.543 -0.643 1
1 143 . 6 1 1 A 15 15 VAL H H 45 7.760 7.880 -0.120 1
1 144 . 6 1 1 A 15 15 VAL HA H 45 3.740 3.875 -0.135 1
1 152 . 6 1 1 A 15 15 VAL C C 45 173.100 177.478 -4.378 1
1 153 . 6 1 1 A 15 15 VAL CA C 45 61.800 64.532 -2.732 1
1 154 . 6 1 1 A 15 15 VAL CB C 45 29.100 31.664 -2.564 1
1 157 . 6 1 1 A 15 15 VAL N N 45 117.200 119.367 -2.167 1
1 158 . 6 1 1 A 16 16 ASN H H 46 7.820 7.964 -0.144 1
1 159 . 6 1 1 A 16 16 ASN HA H 46 4.600 4.512 0.088 1
1 161 . 6 1 1 A 16 16 ASN CA C 46 51.400 56.230 -4.830 1
1 162 . 6 1 1 A 16 16 ASN CB C 46 36.000 38.966 -2.966 1
1 163 . 6 1 1 A 16 16 ASN N N 46 118.400 120.698 -2.298 1
1 164 . 6 1 1 A 17 17 SER H H 47 8.160 7.416 0.744 1
1 165 . 6 1 1 A 17 17 SER HA H 47 4.380 4.679 -0.299 1
1 168 . 6 1 1 A 17 17 SER CA C 47 57.900 57.381 0.519 1
1 169 . 6 1 1 A 17 17 SER CB C 47 61.000 63.609 -2.609 1
1 170 . 6 1 1 A 18 18 THR H H 48 8.130 7.815 0.315 1
1 171 . 6 1 1 A 18 18 THR HA H 48 3.990 4.519 -0.529 1
1 176 . 6 1 1 A 18 18 THR C C 48 173.800 175.176 -1.376 1
1 177 . 6 1 1 A 18 18 THR CA C 48 63.500 64.048 -0.548 1
1 178 . 6 1 1 A 18 18 THR CB C 48 66.000 70.220 -4.220 1
1 180 . 6 1 1 A 18 18 THR N N 48 118.300 117.185 1.115 1
1 181 . 6 1 1 A 19 19 VAL H H 49 8.100 8.525 -0.425 1
1 182 . 6 1 1 A 19 19 VAL HA H 49 3.640 3.841 -0.201 1
1 190 . 6 1 1 A 19 19 VAL C C 49 174.700 177.874 -3.174 1
1 191 . 6 1 1 A 19 19 VAL CA C 49 64.000 65.045 -1.045 1
1 192 . 6 1 1 A 19 19 VAL CB C 49 29.000 31.605 -2.605 1
1 195 . 6 1 1 A 19 19 VAL N N 49 120.800 121.499 -0.699 1
1 196 . 6 1 1 A 20 20 THR H H 50 7.830 8.193 -0.363 1
1 197 . 6 1 1 A 20 20 THR HA H 50 3.740 3.923 -0.183 1
1 202 . 6 1 1 A 20 20 THR C C 50 173.800 176.896 -3.096 1
1 203 . 6 1 1 A 20 20 THR CA C 50 64.400 65.322 -0.922 1
1 204 . 6 1 1 A 20 20 THR CB C 50 65.500 68.799 -3.299 1
1 206 . 6 1 1 A 20 20 THR N N 50 114.000 116.543 -2.543 1
1 207 . 6 1 1 A 21 21 GLN H H 51 7.920 7.890 0.030 1
1 208 . 6 1 1 A 21 21 GLN HA H 51 3.970 4.120 -0.150 1
1 211 . 6 1 1 A 21 21 GLN C C 51 175.900 178.117 -2.217 1
1 212 . 6 1 1 A 21 21 GLN CA C 51 56.300 58.515 -2.215 1
1 213 . 6 1 1 A 21 21 GLN CB C 51 25.700 28.642 -2.942 1
1 215 . 6 1 1 A 21 21 GLN N N 51 118.400 120.635 -2.235 1
1 216 . 6 1 1 A 22 22 ALA H H 52 7.960 7.889 0.071 1
1 217 . 6 1 1 A 22 22 ALA HA H 52 4.160 4.119 0.041 1
1 221 . 6 1 1 A 22 22 ALA C C 52 176.800 180.123 -3.323 1
1 222 . 6 1 1 A 22 22 ALA CA C 52 52.800 55.281 -2.481 1
1 223 . 6 1 1 A 22 22 ALA CB C 52 15.700 18.100 -2.400 1
1 224 . 6 1 1 A 22 22 ALA N N 52 122.200 122.059 0.141 1
1 225 . 6 1 1 A 23 23 ILE H H 53 8.100 7.986 0.114 1
1 226 . 6 1 1 A 23 23 ILE HA H 53 3.660 3.735 -0.075 1
1 236 . 6 1 1 A 23 23 ILE C C 53 175.300 178.329 -3.029 1
1 237 . 6 1 1 A 23 23 ILE CA C 53 62.700 65.333 -2.633 1
1 238 . 6 1 1 A 23 23 ILE CB C 53 35.100 38.163 -3.063 1
1 242 . 6 1 1 A 23 23 ILE N N 53 117.500 118.989 -1.489 1
1 243 . 6 1 1 A 24 24 LEU H H 54 8.160 7.868 0.292 1
1 244 . 6 1 1 A 24 24 LEU HA H 54 3.970 3.950 0.020 1
1 254 . 6 1 1 A 24 24 LEU C C 54 176.600 179.039 -2.439 1
1 255 . 6 1 1 A 24 24 LEU CA C 54 55.500 58.271 -2.771 1
1 256 . 6 1 1 A 24 24 LEU CB C 54 38.700 42.014 -3.314 1
1 260 . 6 1 1 A 24 24 LEU N N 54 118.900 118.791 0.109 1
1 261 . 6 1 1 A 25 25 PHE H H 55 8.200 8.853 -0.653 1
1 262 . 6 1 1 A 25 25 PHE HA H 55 4.240 4.128 0.112 1
1 267 . 6 1 1 A 25 25 PHE C C 55 176.300 177.770 -1.470 1
1 268 . 6 1 1 A 25 25 PHE CA C 55 58.500 61.448 -2.948 1
1 269 . 6 1 1 A 25 25 PHE CB C 55 36.300 38.968 -2.668 1
1 273 . 6 1 1 A 25 25 PHE N N 55 119.100 118.736 0.364 1
1 274 . 6 1 1 A 26 26 GLY H H 56 8.570 8.938 -0.368 1
1 275 . 6 1 1 A 26 26 GLY HA2 H 56 3.580 3.790 -0.210 1
1 276 . 6 1 1 A 26 26 GLY HA3 H 56 3.670 3.799 -0.129 1
1 277 . 6 1 1 A 26 26 GLY C C 56 172.200 175.900 -3.700 1
1 278 . 6 1 1 A 26 26 GLY CA C 56 44.900 47.223 -2.323 1
1 279 . 6 1 1 A 26 26 GLY N N 56 108.900 106.650 2.250 1
1 280 . 6 1 1 A 27 27 VAL H H 57 8.550 8.477 0.073 1
1 281 . 6 1 1 A 27 27 VAL HA H 57 3.640 3.688 -0.048 1
1 289 . 6 1 1 A 27 27 VAL C C 57 175.000 177.624 -2.624 1
1 290 . 6 1 1 A 27 27 VAL CA C 57 63.800 65.995 -2.195 1
1 291 . 6 1 1 A 27 27 VAL CB C 57 29.000 31.617 -2.617 1
1 294 . 6 1 1 A 27 27 VAL N N 57 120.000 122.343 -2.343 1
1 295 . 6 1 1 A 28 28 ARG H H 58 8.030 8.327 -0.297 1
1 296 . 6 1 1 A 28 28 ARG HA H 58 4.020 3.895 0.125 1
1 301 . 6 1 1 A 28 28 ARG C C 58 176.700 178.983 -2.283 1
1 302 . 6 1 1 A 28 28 ARG CA C 58 56.700 59.551 -2.851 1
1 303 . 6 1 1 A 28 28 ARG CB C 58 27.600 29.686 -2.086 1
1 306 . 6 1 1 A 28 28 ARG N N 58 118.300 119.318 -1.018 1
1 307 . 6 1 1 A 29 29 SER H H 59 8.020 7.783 0.237 1
1 308 . 6 1 1 A 29 29 SER HA H 59 4.280 3.959 0.321 1
1 310 . 6 1 1 A 29 29 SER C C 59 173.300 177.048 -3.748 1
1 311 . 6 1 1 A 29 29 SER CA C 59 58.200 61.242 -3.042 1
1 312 . 6 1 1 A 29 29 SER CB C 59 60.700 62.732 -2.032 1
1 313 . 6 1 1 A 29 29 SER N N 59 114.700 115.124 -0.424 1
1 314 . 6 1 1 A 30 30 GLY H H 60 8.310 8.494 -0.184 1
1 315 . 6 1 1 A 30 30 GLY HA2 H 60 3.630 2.597 1.033 1
1 316 . 6 1 1 A 30 30 GLY HA3 H 60 3.750 3.668 0.082 1
1 317 . 6 1 1 A 30 30 GLY C C 60 171.900 175.830 -3.930 1
1 318 . 6 1 1 A 30 30 GLY CA C 60 44.500 46.869 -2.369 1
1 319 . 6 1 1 A 30 30 GLY N N 60 109.700 109.566 0.134 1
1 320 . 6 1 1 A 31 31 ALA H H 61 8.330 7.950 0.380 1
1 321 . 6 1 1 A 31 31 ALA HA H 61 3.970 4.077 -0.107 1
1 325 . 6 1 1 A 31 31 ALA C C 61 177.200 179.687 -2.487 1
1 326 . 6 1 1 A 31 31 ALA CA C 61 52.900 54.732 -1.832 1
1 327 . 6 1 1 A 31 31 ALA CB C 61 15.500 18.203 -2.703 1
1 328 . 6 1 1 A 31 31 ALA N N 61 122.700 125.260 -2.560 1
1 329 . 6 1 1 A 32 32 ALA H H 62 7.860 8.216 -0.356 1
1 330 . 6 1 1 A 32 32 ALA HA H 62 4.120 4.081 0.039 1
1 334 . 6 1 1 A 32 32 ALA C C 62 177.400 179.996 -2.596 1
1 335 . 6 1 1 A 32 32 ALA CA C 62 52.200 54.855 -2.655 1
1 336 . 6 1 1 A 32 32 ALA CB C 62 15.600 18.278 -2.678 1
1 337 . 6 1 1 A 32 32 ALA N N 62 120.400 119.810 0.590 1
1 338 . 6 1 1 A 33 33 ALA H H 63 7.920 8.121 -0.201 1
1 339 . 6 1 1 A 33 33 ALA HA H 63 4.070 3.994 0.076 1
1 343 . 6 1 1 A 33 33 ALA C C 63 176.200 179.493 -3.293 1
1 344 . 6 1 1 A 33 33 ALA CA C 63 52.100 54.897 -2.797 1
1 345 . 6 1 1 A 33 33 ALA CB C 63 15.800 17.889 -2.089 1
1 346 . 6 1 1 A 33 33 ALA N N 63 120.100 120.574 -0.474 1
1 347 . 6 1 1 A 34 34 LEU H H 64 8.090 8.049 0.041 1
1 348 . 6 1 1 A 34 34 LEU HA H 64 3.980 4.113 -0.133 1
1 358 . 6 1 1 A 34 34 LEU C C 64 175.900 178.819 -2.919 1
1 359 . 6 1 1 A 34 34 LEU CA C 64 55.500 58.403 -2.903 1
1 360 . 6 1 1 A 34 34 LEU CB C 64 39.100 41.943 -2.843 1
1 364 . 6 1 1 A 34 34 LEU N N 64 116.400 120.106 -3.706 1
1 365 . 6 1 1 A 35 35 THR H H 65 7.860 8.150 -0.290 1
1 366 . 6 1 1 A 35 35 THR HA H 65 3.770 3.909 -0.139 1
1 371 . 6 1 1 A 35 35 THR C C 65 173.100 176.608 -3.508 1
1 372 . 6 1 1 A 35 35 THR CA C 65 64.600 65.677 -1.077 1
1 373 . 6 1 1 A 35 35 THR CB C 65 66.000 69.024 -3.024 1
1 375 . 6 1 1 A 35 35 THR N N 65 113.500 114.152 -0.652 1
1 376 . 6 1 1 A 36 36 LEU H H 66 7.430 7.902 -0.472 1
1 377 . 6 1 1 A 36 36 LEU HA H 66 4.000 4.077 -0.077 1
1 387 . 6 1 1 A 36 36 LEU C C 66 176.800 178.693 -1.893 1
1 388 . 6 1 1 A 36 36 LEU CA C 66 55.500 58.291 -2.791 1
1 389 . 6 1 1 A 36 36 LEU CB C 66 39.200 41.376 -2.176 1
1 393 . 6 1 1 A 36 36 LEU N N 66 120.200 120.654 -0.454 1
1 394 . 6 1 1 A 37 37 ILE H H 67 7.750 8.200 -0.450 1
1 395 . 6 1 1 A 37 37 ILE HA H 67 3.800 3.806 -0.006 1
1 405 . 6 1 1 A 37 37 ILE C C 67 175.000 178.085 -3.085 1
1 406 . 6 1 1 A 37 37 ILE CA C 67 62.600 65.494 -2.894 1
1 407 . 6 1 1 A 37 37 ILE CB C 67 35.300 37.812 -2.512 1
1 411 . 6 1 1 A 37 37 ILE N N 67 119.600 119.414 0.186 1
1 412 . 6 1 1 A 38 38 VAL H H 68 8.250 7.889 0.361 1
1 413 . 6 1 1 A 38 38 VAL HA H 68 3.590 3.586 0.004 1
1 421 . 6 1 1 A 38 38 VAL C C 68 176.600 178.673 -2.073 1
1 422 . 6 1 1 A 38 38 VAL CA C 68 65.000 66.921 -1.921 1
1 423 . 6 1 1 A 38 38 VAL CB C 68 28.900 31.683 -2.783 1
1 426 . 6 1 1 A 38 38 VAL N N 68 119.600 119.839 -0.239 1
1 427 . 6 1 1 A 39 39 VAL H H 69 8.370 8.054 0.316 1
1 428 . 6 1 1 A 39 39 VAL HA H 69 3.620 3.589 0.031 1
1 436 . 6 1 1 A 39 39 VAL C C 69 175.800 178.080 -2.280 1
1 437 . 6 1 1 A 39 39 VAL CA C 69 64.200 66.592 -2.392 1
1 438 . 6 1 1 A 39 39 VAL CB C 69 28.900 31.616 -2.716 1
1 441 . 6 1 1 A 39 39 VAL N N 69 121.700 120.264 1.436 1
1 442 . 6 1 1 A 40 40 TRP H H 70 8.320 8.548 -0.228 1
1 443 . 6 1 1 A 40 40 TRP HA H 70 4.150 4.244 -0.094 1
1 449 . 6 1 1 A 40 40 TRP C C 70 176.600 178.251 -1.651 1
1 450 . 6 1 1 A 40 40 TRP CA C 70 59.700 61.296 -1.596 1
1 451 . 6 1 1 A 40 40 TRP CB C 70 26.400 29.681 -3.281 1
1 454 . 6 1 1 A 40 40 TRP N N 70 122.400 120.737 1.663 1
1 456 . 6 1 1 A 41 41 ILE H H 71 8.780 7.983 0.797 1
1 457 . 6 1 1 A 41 41 ILE HA H 71 3.510 3.148 0.362 1
1 467 . 6 1 1 A 41 41 ILE C C 71 175.600 178.221 -2.621 1
1 468 . 6 1 1 A 41 41 ILE CA C 71 62.500 64.334 -1.834 1
1 469 . 6 1 1 A 41 41 ILE CB C 71 35.700 37.718 -2.018 1
1 473 . 6 1 1 A 41 41 ILE N N 71 117.500 120.796 -3.296 1
1 474 . 6 1 1 A 42 42 THR H H 72 8.280 8.272 0.008 1
1 475 . 6 1 1 A 42 42 THR HA H 72 4.000 3.818 0.182 1
1 480 . 6 1 1 A 42 42 THR C C 72 173.800 176.831 -3.031 1
1 481 . 6 1 1 A 42 42 THR CA C 72 62.500 65.600 -3.100 1
1 482 . 6 1 1 A 42 42 THR CB C 72 66.500 69.074 -2.574 1
1 484 . 6 1 1 A 42 42 THR N N 72 110.700 114.727 -4.027 1
1 485 . 6 1 1 A 43 43 SER H H 73 7.810 8.027 -0.217 1
1 486 . 6 1 1 A 43 43 SER HA H 73 4.320 4.467 -0.147 1
1 488 . 6 1 1 A 43 43 SER C C 73 172.800 173.841 -1.041 1
1 489 . 6 1 1 A 43 43 SER CA C 73 57.600 58.428 -0.828 1
1 490 . 6 1 1 A 43 43 SER CB C 73 60.900 63.507 -2.607 1
1 491 . 6 1 1 A 43 43 SER N N 73 115.900 114.948 0.952 1
1 492 . 6 1 1 A 44 44 ARG H H 74 7.490 7.522 -0.032 1
1 493 . 6 1 1 A 44 44 ARG HA H 74 4.120 3.949 0.171 1
1 500 . 6 1 1 A 44 44 ARG C C 74 174.200 175.170 -0.970 1
1 501 . 6 1 1 A 44 44 ARG CA C 74 53.600 56.692 -3.092 1
1 502 . 6 1 1 A 44 44 ARG CB C 74 27.700 27.478 0.222 1
1 505 . 6 1 1 A 44 44 ARG N N 74 120.100 118.115 1.985 1
1 506 . 6 1 1 A 45 45 SER H H 75 7.890 7.853 0.037 1
1 507 . 6 1 1 A 45 45 SER HA H 75 4.210 4.551 -0.341 1
1 509 . 6 1 1 A 45 45 SER C C 75 172.300 173.988 -1.688 1
1 510 . 6 1 1 A 45 45 SER CA C 75 56.800 58.981 -2.181 1
1 511 . 6 1 1 A 45 45 SER CB C 75 60.900 64.393 -3.493 1
1 512 . 6 1 1 A 45 45 SER N N 75 114.400 113.008 1.392 1
1 513 . 6 1 1 A 46 46 ARG H H 76 7.850 8.795 -0.945 1
1 514 . 6 1 1 A 46 46 ARG HA H 76 4.220 4.544 -0.324 1
1 519 . 6 1 1 A 46 46 ARG C C 76 173.500 174.813 -1.313 1
1 520 . 6 1 1 A 46 46 ARG CA C 76 53.900 55.117 -1.217 1
1 521 . 6 1 1 A 46 46 ARG CB C 76 27.800 33.647 -5.847 1
1 524 . 6 1 1 A 46 46 ARG N N 76 120.600 124.494 -3.894 1
1 525 . 6 1 1 A 47 47 LYS H H 77 7.900 8.664 -0.764 1
1 526 . 6 1 1 A 47 47 LYS HA H 77 4.320 3.766 0.554 1
1 533 . 6 1 1 A 47 47 LYS C C 77 173.600 175.498 -1.898 1
1 534 . 6 1 1 A 47 47 LYS CA C 77 53.400 57.190 -3.790 1
1 535 . 6 1 1 A 47 47 LYS CB C 77 30.500 29.809 0.691 1
1 539 . 6 1 1 A 47 47 LYS N N 77 119.100 117.938 1.162 1
1 540 . 6 1 1 A 48 48 THR H H 78 7.840 7.551 0.289 1
1 541 . 6 1 1 A 48 48 THR HA H 78 4.390 4.398 -0.008 1
1 546 . 6 1 1 A 48 48 THR C C 78 174.000 173.995 0.005 1
1 547 . 6 1 1 A 48 48 THR CA C 78 59.500 60.233 -0.733 1
1 548 . 6 1 1 A 48 48 THR CB C 78 66.600 69.085 -2.485 1
1 550 . 6 1 1 A 48 48 THR N N 78 116.200 112.121 4.079 1
1 551 . 6 1 1 A 49 49 PRO HA H 79 4.410 4.597 -0.187 1
1 557 . 6 1 1 A 49 49 PRO CA C 79 60.800 62.747 -1.947 1
1 558 . 6 1 1 A 49 49 PRO CB C 79 28.900 32.602 -3.702 1
1 561 . 6 1 1 A 50 50 ILE H H 80 7.850 8.568 -0.718 1
1 562 . 6 1 1 A 50 50 ILE HA H 80 3.880 3.756 0.124 1
1 572 . 6 1 1 A 50 50 ILE C C 80 173.500 177.481 -3.981 1
1 573 . 6 1 1 A 50 50 ILE CA C 80 59.800 64.306 -4.506 1
1 574 . 6 1 1 A 50 50 ILE CB C 80 35.600 37.661 -2.061 1
1 578 . 6 1 1 A 50 50 ILE N N 80 119.400 123.264 -3.864 1
1 579 . 6 1 1 A 51 51 PHE H H 81 7.730 8.509 -0.779 1
1 580 . 6 1 1 A 51 51 PHE HA H 81 4.500 4.124 0.376 1
1 585 . 6 1 1 A 51 51 PHE CA C 81 56.200 61.551 -5.351 1
1 586 . 6 1 1 A 51 51 PHE CB C 81 36.500 39.319 -2.819 1
1 590 . 6 1 1 A 51 51 PHE N N 81 118.900 123.443 -4.543 1
1 591 . 6 1 1 A 52 52 ILE H H 82 7.420 8.214 -0.794 1
1 592 . 6 1 1 A 52 52 ILE HA H 82 3.880 3.649 0.231 1
1 602 . 6 1 1 A 52 52 ILE C C 82 173.800 178.171 -4.371 1
1 603 . 6 1 1 A 52 52 ILE CA C 82 59.700 65.290 -5.590 1
1 604 . 6 1 1 A 52 52 ILE CB C 82 35.400 38.008 -2.608 1
1 608 . 6 1 1 A 52 52 ILE N N 82 118.000 120.256 -2.256 1
1 609 . 6 1 1 A 53 53 ILE H H 83 7.540 7.989 -0.449 1
1 610 . 6 1 1 A 53 53 ILE HA H 83 3.890 3.436 0.454 1
1 620 . 6 1 1 A 53 53 ILE C C 83 174.300 178.100 -3.800 1
1 621 . 6 1 1 A 53 53 ILE CA C 83 59.800 65.149 -5.349 1
1 622 . 6 1 1 A 53 53 ILE CB C 83 35.600 37.159 -1.559 1
1 626 . 6 1 1 A 53 53 ILE N N 83 119.300 120.023 -0.723 1
1 627 . 6 1 1 A 54 54 ASN H H 84 8.030 8.585 -0.555 1
1 628 . 6 1 1 A 54 54 ASN HA H 84 4.620 4.316 0.304 1
1 631 . 6 1 1 A 54 54 ASN CA C 84 51.500 56.508 -5.008 1
1 632 . 6 1 1 A 54 54 ASN CB C 84 36.500 39.401 -2.901 1
1 633 . 6 1 1 A 54 54 ASN N N 84 118.300 119.656 -1.356 1
1 634 . 6 1 1 A 55 55 GLN H H 85 8.040 8.097 -0.057 1
1 635 . 6 1 1 A 55 55 GLN HA H 85 4.210 4.022 0.188 1
1 639 . 6 1 1 A 55 55 GLN CA C 85 54.400 59.115 -4.715 1
1 640 . 6 1 1 A 55 55 GLN CB C 85 25.600 28.477 -2.877 1
1 642 . 6 1 1 A 56 56 VAL H H 86 7.720 8.302 -0.582 1
1 643 . 6 1 1 A 56 56 VAL HA H 86 3.800 3.674 0.126 1
1 651 . 6 1 1 A 56 56 VAL C C 86 174.200 177.887 -3.687 1
1 652 . 6 1 1 A 56 56 VAL CA C 86 62.700 66.948 -4.248 1
1 653 . 6 1 1 A 56 56 VAL CB C 86 29.100 31.546 -2.446 1
1 656 . 6 1 1 A 56 56 VAL N N 86 118.700 120.897 -2.197 1
1 657 . 6 1 1 A 57 57 SER H H 87 8.080 8.316 -0.236 1
1 658 . 6 1 1 A 57 57 SER HA H 87 4.200 4.123 0.077 1
1 660 . 6 1 1 A 57 57 SER C C 87 173.800 177.494 -3.694 1
1 661 . 6 1 1 A 57 57 SER CA C 87 58.400 61.794 -3.394 1
1 662 . 6 1 1 A 57 57 SER CB C 87 60.000 63.053 -3.053 1
1 663 . 6 1 1 A 57 57 SER N N 87 115.300 115.131 0.169 1
1 664 . 6 1 1 A 58 58 LEU H H 88 7.780 8.426 -0.646 1
1 665 . 6 1 1 A 58 58 LEU HA H 88 4.060 3.928 0.132 1
1 675 . 6 1 1 A 58 58 LEU CA C 88 55.300 58.070 -2.770 1
1 676 . 6 1 1 A 58 58 LEU CB C 88 39.200 41.815 -2.615 1
1 680 . 6 1 1 A 58 58 LEU N N 88 121.900 122.172 -0.272 1
1 681 . 6 1 1 A 59 59 PHE H H 89 7.980 8.618 -0.638 1
1 682 . 6 1 1 A 59 59 PHE HA H 89 4.190 4.151 0.039 1
1 687 . 6 1 1 A 59 59 PHE C C 89 174.600 176.804 -2.204 1
1 688 . 6 1 1 A 59 59 PHE CA C 89 58.300 61.234 -2.934 1
1 689 . 6 1 1 A 59 59 PHE CB C 89 35.900 38.896 -2.996 1
1 693 . 6 1 1 A 59 59 PHE N N 89 117.100 119.247 -2.147 1
1 694 . 6 1 1 A 60 60 LEU H H 90 8.010 8.522 -0.512 1
1 695 . 6 1 1 A 60 60 LEU HA H 90 3.870 3.642 0.228 1
1 705 . 6 1 1 A 60 60 LEU C C 90 176.800 179.247 -2.447 1
1 706 . 6 1 1 A 60 60 LEU CA C 90 55.400 58.369 -2.969 1
1 707 . 6 1 1 A 60 60 LEU CB C 90 38.900 42.006 -3.106 1
1 711 . 6 1 1 A 60 60 LEU N N 90 117.700 119.579 -1.879 1
1 712 . 6 1 1 A 61 61 ILE H H 91 7.910 7.952 -0.042 1
1 713 . 6 1 1 A 61 61 ILE HA H 91 3.790 3.542 0.248 1
1 723 . 6 1 1 A 61 61 ILE CA C 91 62.500 65.433 -2.933 1
1 724 . 6 1 1 A 61 61 ILE CB C 91 35.400 37.841 -2.441 1
1 728 . 6 1 1 A 61 61 ILE N N 91 118.400 118.148 0.252 1
1 729 . 6 1 1 A 62 62 ILE H H 92 7.930 8.472 -0.542 1
1 730 . 6 1 1 A 62 62 ILE HA H 92 3.620 3.512 0.108 1
1 740 . 6 1 1 A 62 62 ILE C C 92 175.000 177.862 -2.862 1
1 741 . 6 1 1 A 62 62 ILE CA C 92 62.800 65.505 -2.705 1
1 742 . 6 1 1 A 62 62 ILE CB C 92 34.600 37.736 -3.136 1
1 746 . 6 1 1 A 62 62 ILE N N 92 121.800 119.943 1.857 1
1 747 . 6 1 1 A 63 63 LEU H H 93 8.250 8.378 -0.128 1
1 748 . 6 1 1 A 63 63 LEU HA H 93 3.880 3.818 0.062 1
1 758 . 6 1 1 A 63 63 LEU C C 93 175.900 178.940 -3.040 1
1 759 . 6 1 1 A 63 63 LEU CA C 93 55.800 58.452 -2.652 1
1 760 . 6 1 1 A 63 63 LEU CB C 93 39.100 41.527 -2.427 1
1 764 . 6 1 1 A 63 63 LEU N N 93 119.800 121.610 -1.810 1
1 765 . 6 1 1 A 64 64 HIS H H 94 8.330 8.398 -0.068 1
1 766 . 6 1 1 A 64 64 HIS HA H 94 4.290 4.107 0.183 1
1 770 . 6 1 1 A 64 64 HIS C C 94 175.200 177.427 -2.227 1
1 771 . 6 1 1 A 64 64 HIS CA C 94 56.000 59.539 -3.539 1
1 772 . 6 1 1 A 64 64 HIS CB C 94 25.900 29.674 -3.774 1
1 775 . 6 1 1 A 64 64 HIS N N 94 114.700 118.851 -4.151 1
1 776 . 6 1 1 A 65 65 SER H H 95 8.150 8.460 -0.310 1
1 777 . 6 1 1 A 65 65 SER HA H 95 4.250 3.957 0.293 1
1 779 . 6 1 1 A 65 65 SER C C 95 172.500 176.590 -4.090 1
1 780 . 6 1 1 A 65 65 SER CA C 95 59.900 61.882 -1.982 1
1 781 . 6 1 1 A 65 65 SER CB C 95 60.500 62.643 -2.143 1
1 782 . 6 1 1 A 65 65 SER N N 95 116.200 115.257 0.943 1
1 783 . 6 1 1 A 66 66 ALA H H 96 8.220 8.410 -0.190 1
1 784 . 6 1 1 A 66 66 ALA HA H 96 4.080 4.321 -0.241 1
1 788 . 6 1 1 A 66 66 ALA C C 96 176.400 180.024 -3.624 1
1 789 . 6 1 1 A 66 66 ALA CA C 96 52.600 55.284 -2.684 1
1 790 . 6 1 1 A 66 66 ALA CB C 96 15.600 18.072 -2.472 1
1 791 . 6 1 1 A 66 66 ALA N N 96 123.500 123.739 -0.239 1
1 792 . 6 1 1 A 67 67 LEU H H 97 7.870 8.625 -0.755 1
1 793 . 6 1 1 A 67 67 LEU HA H 97 3.980 3.997 -0.017 1
1 803 . 6 1 1 A 67 67 LEU C C 97 176.700 178.998 -2.298 1
1 804 . 6 1 1 A 67 67 LEU CA C 97 55.000 58.074 -3.074 1
1 805 . 6 1 1 A 67 67 LEU CB C 97 38.700 41.760 -3.060 1
1 809 . 6 1 1 A 67 67 LEU N N 97 115.800 119.088 -3.288 1
1 810 . 6 1 1 A 68 68 TYR H H 98 7.830 8.640 -0.810 1
1 811 . 6 1 1 A 68 68 TYR HA H 98 4.320 4.235 0.085 1
1 816 . 6 1 1 A 68 68 TYR C C 98 174.900 177.608 -2.708 1
1 817 . 6 1 1 A 68 68 TYR CA C 98 58.200 61.927 -3.727 1
1 818 . 6 1 1 A 68 68 TYR CB C 98 35.500 38.449 -2.949 1
1 821 . 6 1 1 A 68 68 TYR N N 98 120.300 119.483 0.817 1
1 822 . 6 1 1 A 69 69 PHE H H 99 8.110 8.541 -0.431 1
1 823 . 6 1 1 A 69 69 PHE HA H 99 4.200 4.207 -0.007 1
1 828 . 6 1 1 A 69 69 PHE C C 99 173.600 177.915 -4.315 1
1 829 . 6 1 1 A 69 69 PHE CA C 99 58.400 61.368 -2.968 1
1 830 . 6 1 1 A 69 69 PHE CB C 99 36.100 39.552 -3.452 1
1 834 . 6 1 1 A 69 69 PHE N N 99 117.600 121.121 -3.521 1
1 835 . 6 1 1 A 70 70 LYS H H 100 8.030 8.593 -0.563 1
1 836 . 6 1 1 A 70 70 LYS HA H 100 3.800 3.961 -0.161 1
1 843 . 6 1 1 A 70 70 LYS C C 100 175.700 178.138 -2.438 1
1 844 . 6 1 1 A 70 70 LYS CA C 100 57.300 59.045 -1.745 1
1 845 . 6 1 1 A 70 70 LYS CB C 100 29.500 32.094 -2.594 1
1 849 . 6 1 1 A 70 70 LYS N N 100 118.300 118.168 0.132 1
1 850 . 6 1 1 A 71 71 TYR H H 101 7.720 8.479 -0.759 1
1 851 . 6 1 1 A 71 71 TYR HA H 101 4.210 4.077 0.133 1
1 856 . 6 1 1 A 71 71 TYR C C 101 175.300 177.834 -2.534 1
1 857 . 6 1 1 A 71 71 TYR CA C 101 57.800 61.277 -3.477 1
1 858 . 6 1 1 A 71 71 TYR CB C 101 34.700 38.700 -4.000 1
1 861 . 6 1 1 A 71 71 TYR N N 101 119.600 120.407 -0.807 1
1 862 . 6 1 1 A 72 72 LEU H H 102 7.950 7.918 0.032 1
1 863 . 6 1 1 A 72 72 LEU HA H 102 3.800 3.554 0.246 1
1 870 . 6 1 1 A 72 72 LEU C C 102 176.300 178.367 -2.067 1
1 871 . 6 1 1 A 72 72 LEU CA C 102 55.100 57.698 -2.598 1
1 872 . 6 1 1 A 72 72 LEU CB C 102 39.500 41.170 -1.670 1
1 876 . 6 1 1 A 72 72 LEU N N 102 121.000 119.483 1.517 1
1 877 . 6 1 1 A 73 73 LEU H H 103 7.870 7.794 0.076 1
1 878 . 6 1 1 A 73 73 LEU HA H 103 4.030 4.136 -0.106 1
1 888 . 6 1 1 A 73 73 LEU C C 103 176.200 178.464 -2.264 1
1 889 . 6 1 1 A 73 73 LEU CA C 103 54.500 58.031 -3.531 1
1 890 . 6 1 1 A 73 73 LEU CB C 103 39.200 40.954 -1.754 1
1 894 . 6 1 1 A 73 73 LEU N N 103 116.900 118.232 -1.332 1
1 895 . 6 1 1 A 74 74 SER H H 104 7.780 8.400 -0.620 1
1 896 . 6 1 1 A 74 74 SER HA H 104 4.230 4.093 0.137 1
1 898 . 6 1 1 A 74 74 SER C C 104 172.800 177.218 -4.418 1
1 899 . 6 1 1 A 74 74 SER CA C 104 57.900 61.419 -3.519 1
1 900 . 6 1 1 A 74 74 SER CB C 104 60.800 62.115 -1.315 1
1 901 . 6 1 1 A 74 74 SER N N 104 113.200 114.231 -1.031 1
1 902 . 6 1 1 A 75 75 ASN H H 105 7.720 7.893 -0.173 1
1 903 . 6 1 1 A 75 75 ASN HA H 105 4.530 4.526 0.004 1
1 906 . 6 1 1 A 75 75 ASN C C 105 173.100 178.059 -4.959 1
1 907 . 6 1 1 A 75 75 ASN CA C 105 51.800 55.848 -4.048 1
1 908 . 6 1 1 A 75 75 ASN CB C 105 36.600 38.079 -1.479 1
1 909 . 6 1 1 A 75 75 ASN N N 105 118.400 120.686 -2.286 1
1 910 . 6 1 1 A 76 76 TYR H H 106 7.720 7.285 0.435 1
1 911 . 6 1 1 A 76 76 TYR HA H 106 4.380 4.184 0.196 1
1 916 . 6 1 1 A 76 76 TYR C C 106 173.000 175.472 -2.472 1
1 917 . 6 1 1 A 76 76 TYR CA C 106 56.700 60.916 -4.216 1
1 918 . 6 1 1 A 76 76 TYR CB C 106 36.100 37.880 -1.780 1
1 921 . 6 1 1 A 76 76 TYR N N 106 118.900 118.276 0.624 1
1 922 . 6 1 1 A 77 77 SER H H 107 7.650 7.410 0.240 1
1 923 . 6 1 1 A 77 77 SER HA H 107 4.330 4.861 -0.531 1
1 926 . 6 1 1 A 77 77 SER C C 107 171.800 173.128 -1.328 1
1 927 . 6 1 1 A 77 77 SER CA C 107 55.800 55.589 0.211 1
1 928 . 6 1 1 A 77 77 SER CB C 107 61.400 65.604 -4.204 1
1 929 . 6 1 1 A 77 77 SER N N 107 114.300 114.130 0.170 1
1 930 . 6 1 1 A 78 78 SER H H 108 7.940 8.554 -0.614 1
1 931 . 6 1 1 A 78 78 SER HA H 108 4.440 4.681 -0.241 1
1 933 . 6 1 1 A 78 78 SER C C 108 171.900 173.817 -1.917 1
1 934 . 6 1 1 A 78 78 SER CA C 108 55.800 58.180 -2.380 1
1 935 . 6 1 1 A 78 78 SER CB C 108 61.200 62.803 -1.603 1
1 936 . 6 1 1 A 78 78 SER N N 108 116.600 119.572 -2.972 1
1 937 . 6 1 1 A 79 79 VAL H H 109 7.850 8.249 -0.399 1
1 938 . 6 1 1 A 79 79 VAL HA H 109 4.170 4.546 -0.376 1
1 943 . 6 1 1 A 79 79 VAL C C 109 172.900 175.434 -2.534 1
1 944 . 6 1 1 A 79 79 VAL CA C 109 59.900 61.711 -1.811 1
1 945 . 6 1 1 A 79 79 VAL CB C 109 29.900 33.370 -3.470 1
1 948 . 6 1 1 A 79 79 VAL N N 109 120.200 126.728 -6.528 1
1 3 . 7 1 1 A 2 2 ASN HA H 32 4.710 5.061 -0.351 1
1 6 . 7 1 1 A 2 2 ASN CA C 32 50.800 52.019 -1.219 1
1 7 . 7 1 1 A 2 2 ASN CB C 32 36.400 41.328 -4.928 1
1 8 . 7 1 1 A 3 3 GLY H H 33 8.470 8.446 0.024 1
1 9 . 7 1 1 A 3 3 GLY HA2 H 33 3.890 4.012 -0.122 1
1 10 . 7 1 1 A 3 3 GLY HA3 H 33 3.990 4.014 -0.024 1
1 11 . 7 1 1 A 3 3 GLY C C 33 171.500 173.695 -2.195 1
1 12 . 7 1 1 A 3 3 GLY CA C 33 42.900 45.603 -2.703 1
1 13 . 7 1 1 A 3 3 GLY N N 33 109.300 112.471 -3.171 1
1 14 . 7 1 1 A 4 4 SER H H 34 8.020 8.174 -0.154 1
1 15 . 7 1 1 A 4 4 SER HA H 34 4.480 5.156 -0.676 1
1 17 . 7 1 1 A 4 4 SER C C 34 171.700 173.900 -2.200 1
1 18 . 7 1 1 A 4 4 SER CA C 34 55.600 56.493 -0.893 1
1 19 . 7 1 1 A 4 4 SER CB C 34 61.400 65.775 -4.375 1
1 20 . 7 1 1 A 4 4 SER N N 34 115.200 116.068 -0.868 1
1 21 . 7 1 1 A 5 5 THR H H 35 8.030 8.787 -0.757 1
1 22 . 7 1 1 A 5 5 THR HA H 35 4.300 4.517 -0.217 1
1 27 . 7 1 1 A 5 5 THR C C 35 171.400 174.723 -3.323 1
1 28 . 7 1 1 A 5 5 THR CA C 35 59.500 61.664 -2.164 1
1 29 . 7 1 1 A 5 5 THR CB C 35 67.200 69.174 -1.974 1
1 31 . 7 1 1 A 5 5 THR N N 35 115.600 120.526 -4.926 1
1 32 . 7 1 1 A 6 6 ILE H H 36 7.850 7.314 0.536 1
1 33 . 7 1 1 A 6 6 ILE HA H 36 4.260 4.073 0.187 1
1 43 . 7 1 1 A 6 6 ILE C C 36 171.900 176.512 -4.612 1
1 44 . 7 1 1 A 6 6 ILE CA C 36 58.200 61.366 -3.166 1
1 45 . 7 1 1 A 6 6 ILE CB C 36 36.500 38.261 -1.761 1
1 49 . 7 1 1 A 6 6 ILE N N 36 122.000 123.594 -1.594 1
1 50 . 7 1 1 A 7 7 THR H H 37 7.680 8.279 -0.599 1
1 51 . 7 1 1 A 7 7 THR HA H 37 4.570 4.531 0.039 1
1 56 . 7 1 1 A 7 7 THR C C 37 172.800 176.041 -3.241 1
1 57 . 7 1 1 A 7 7 THR CA C 37 57.400 61.104 -3.704 1
1 58 . 7 1 1 A 7 7 THR CB C 37 68.700 71.016 -2.316 1
1 60 . 7 1 1 A 7 7 THR N N 37 114.700 117.837 -3.137 1
1 61 . 7 1 1 A 8 8 PHE H H 38 8.830 9.066 -0.236 1
1 62 . 7 1 1 A 8 8 PHE HA H 38 4.250 4.332 -0.082 1
1 67 . 7 1 1 A 8 8 PHE C C 38 174.700 177.833 -3.133 1
1 68 . 7 1 1 A 8 8 PHE CA C 38 58.400 61.428 -3.028 1
1 69 . 7 1 1 A 8 8 PHE CB C 38 36.000 38.014 -2.014 1
1 73 . 7 1 1 A 8 8 PHE N N 38 120.900 121.324 -0.424 1
1 74 . 7 1 1 A 9 9 ASP H H 39 8.400 8.477 -0.077 1
1 75 . 7 1 1 A 9 9 ASP HA H 39 4.280 4.174 0.106 1
1 77 . 7 1 1 A 9 9 ASP C C 39 176.100 178.743 -2.643 1
1 78 . 7 1 1 A 9 9 ASP CA C 39 54.500 57.383 -2.883 1
1 79 . 7 1 1 A 9 9 ASP CB C 39 37.800 40.055 -2.255 1
1 80 . 7 1 1 A 9 9 ASP N N 39 117.400 121.234 -3.834 1
1 81 . 7 1 1 A 10 10 GLU H H 40 7.740 7.833 -0.093 1
1 82 . 7 1 1 A 10 10 GLU HA H 40 4.090 4.076 0.014 1
1 86 . 7 1 1 A 10 10 GLU C C 40 176.100 178.903 -2.803 1
1 87 . 7 1 1 A 10 10 GLU CA C 40 55.700 59.067 -3.367 1
1 88 . 7 1 1 A 10 10 GLU CB C 40 26.800 29.305 -2.505 1
1 90 . 7 1 1 A 10 10 GLU N N 40 118.800 117.750 1.050 1
1 91 . 7 1 1 A 11 11 LEU H H 41 7.770 8.296 -0.526 1
1 92 . 7 1 1 A 11 11 LEU HA H 41 4.040 3.869 0.171 1
1 102 . 7 1 1 A 11 11 LEU C C 41 175.500 178.961 -3.461 1
1 103 . 7 1 1 A 11 11 LEU CA C 41 54.600 57.923 -3.323 1
1 104 . 7 1 1 A 11 11 LEU CB C 41 39.200 41.760 -2.560 1
1 108 . 7 1 1 A 11 11 LEU N N 41 119.500 121.631 -2.131 1
1 109 . 7 1 1 A 12 12 GLN H H 42 8.070 8.300 -0.230 1
1 110 . 7 1 1 A 12 12 GLN HA H 42 3.770 4.075 -0.305 1
1 114 . 7 1 1 A 12 12 GLN C C 42 175.400 179.639 -4.239 1
1 115 . 7 1 1 A 12 12 GLN CA C 42 56.500 58.935 -2.435 1
1 116 . 7 1 1 A 12 12 GLN CB C 42 25.800 28.334 -2.534 1
1 118 . 7 1 1 A 12 12 GLN N N 42 116.800 116.944 -0.144 1
1 119 . 7 1 1 A 13 13 GLY H H 43 7.810 8.574 -0.764 1
1 120 . 7 1 1 A 13 13 GLY HA2 H 43 3.850 3.655 0.195 1
1 121 . 7 1 1 A 13 13 GLY HA3 H 43 3.910 3.659 0.251 1
1 122 . 7 1 1 A 13 13 GLY C C 43 173.000 175.993 -2.993 1
1 123 . 7 1 1 A 13 13 GLY CA C 43 43.800 47.271 -3.471 1
1 124 . 7 1 1 A 13 13 GLY N N 43 105.400 109.662 -4.262 1
1 125 . 7 1 1 A 14 14 LEU H H 44 7.650 8.214 -0.564 1
1 126 . 7 1 1 A 14 14 LEU HA H 44 4.210 3.997 0.213 1
1 136 . 7 1 1 A 14 14 LEU C C 44 176.000 178.606 -2.606 1
1 137 . 7 1 1 A 14 14 LEU CA C 44 54.200 58.350 -4.150 1
1 138 . 7 1 1 A 14 14 LEU CB C 44 40.000 41.423 -1.423 1
1 142 . 7 1 1 A 14 14 LEU N N 44 120.900 121.553 -0.653 1
1 143 . 7 1 1 A 15 15 VAL H H 45 7.760 7.612 0.148 1
1 144 . 7 1 1 A 15 15 VAL HA H 45 3.740 3.942 -0.202 1
1 152 . 7 1 1 A 15 15 VAL C C 45 173.100 177.835 -4.735 1
1 153 . 7 1 1 A 15 15 VAL CA C 45 61.800 65.235 -3.435 1
1 154 . 7 1 1 A 15 15 VAL CB C 45 29.100 31.411 -2.311 1
1 157 . 7 1 1 A 15 15 VAL N N 45 117.200 117.068 0.132 1
1 158 . 7 1 1 A 16 16 ASN H H 46 7.820 8.006 -0.186 1
1 159 . 7 1 1 A 16 16 ASN HA H 46 4.600 4.529 0.071 1
1 161 . 7 1 1 A 16 16 ASN CA C 46 51.400 56.220 -4.820 1
1 162 . 7 1 1 A 16 16 ASN CB C 46 36.000 38.992 -2.992 1
1 163 . 7 1 1 A 16 16 ASN N N 46 118.400 120.609 -2.209 1
1 164 . 7 1 1 A 17 17 SER H H 47 8.160 7.448 0.712 1
1 165 . 7 1 1 A 17 17 SER HA H 47 4.380 4.668 -0.288 1
1 168 . 7 1 1 A 17 17 SER CA C 47 57.900 57.449 0.451 1
1 169 . 7 1 1 A 17 17 SER CB C 47 61.000 63.587 -2.587 1
1 170 . 7 1 1 A 18 18 THR H H 48 8.130 7.793 0.337 1
1 171 . 7 1 1 A 18 18 THR HA H 48 3.990 4.530 -0.540 1
1 176 . 7 1 1 A 18 18 THR C C 48 173.800 175.085 -1.285 1
1 177 . 7 1 1 A 18 18 THR CA C 48 63.500 63.869 -0.369 1
1 178 . 7 1 1 A 18 18 THR CB C 48 66.000 70.569 -4.569 1
1 180 . 7 1 1 A 18 18 THR N N 48 118.300 117.395 0.905 1
1 181 . 7 1 1 A 19 19 VAL H H 49 8.100 8.470 -0.370 1
1 182 . 7 1 1 A 19 19 VAL HA H 49 3.640 3.615 0.025 1
1 190 . 7 1 1 A 19 19 VAL C C 49 174.700 177.957 -3.257 1
1 191 . 7 1 1 A 19 19 VAL CA C 49 64.000 66.655 -2.655 1
1 192 . 7 1 1 A 19 19 VAL CB C 49 29.000 31.719 -2.719 1
1 195 . 7 1 1 A 19 19 VAL N N 49 120.800 121.097 -0.297 1
1 196 . 7 1 1 A 20 20 THR H H 50 7.830 8.364 -0.534 1
1 197 . 7 1 1 A 20 20 THR HA H 50 3.740 3.857 -0.117 1
1 202 . 7 1 1 A 20 20 THR C C 50 173.800 176.847 -3.047 1
1 203 . 7 1 1 A 20 20 THR CA C 50 64.400 65.740 -1.340 1
1 204 . 7 1 1 A 20 20 THR CB C 50 65.500 68.980 -3.480 1
1 206 . 7 1 1 A 20 20 THR N N 50 114.000 113.894 0.106 1
1 207 . 7 1 1 A 21 21 GLN H H 51 7.920 7.998 -0.078 1
1 208 . 7 1 1 A 21 21 GLN HA H 51 3.970 4.071 -0.101 1
1 211 . 7 1 1 A 21 21 GLN C C 51 175.900 178.424 -2.524 1
1 212 . 7 1 1 A 21 21 GLN CA C 51 56.300 59.189 -2.889 1
1 213 . 7 1 1 A 21 21 GLN CB C 51 25.700 28.207 -2.507 1
1 215 . 7 1 1 A 21 21 GLN N N 51 118.400 119.765 -1.365 1
1 216 . 7 1 1 A 22 22 ALA H H 52 7.960 8.050 -0.090 1
1 217 . 7 1 1 A 22 22 ALA HA H 52 4.160 4.152 0.008 1
1 221 . 7 1 1 A 22 22 ALA C C 52 176.800 180.161 -3.361 1
1 222 . 7 1 1 A 22 22 ALA CA C 52 52.800 55.236 -2.436 1
1 223 . 7 1 1 A 22 22 ALA CB C 52 15.700 18.292 -2.592 1
1 224 . 7 1 1 A 22 22 ALA N N 52 122.200 122.157 0.043 1
1 225 . 7 1 1 A 23 23 ILE H H 53 8.100 7.719 0.381 1
1 226 . 7 1 1 A 23 23 ILE HA H 53 3.660 3.717 -0.057 1
1 236 . 7 1 1 A 23 23 ILE C C 53 175.300 178.493 -3.193 1
1 237 . 7 1 1 A 23 23 ILE CA C 53 62.700 65.323 -2.623 1
1 238 . 7 1 1 A 23 23 ILE CB C 53 35.100 38.283 -3.183 1
1 242 . 7 1 1 A 23 23 ILE N N 53 117.500 118.673 -1.173 1
1 243 . 7 1 1 A 24 24 LEU H H 54 8.160 7.967 0.193 1
1 244 . 7 1 1 A 24 24 LEU HA H 54 3.970 3.928 0.042 1
1 254 . 7 1 1 A 24 24 LEU C C 54 176.600 178.926 -2.326 1
1 255 . 7 1 1 A 24 24 LEU CA C 54 55.500 58.293 -2.793 1
1 256 . 7 1 1 A 24 24 LEU CB C 54 38.700 41.583 -2.883 1
1 260 . 7 1 1 A 24 24 LEU N N 54 118.900 118.836 0.064 1
1 261 . 7 1 1 A 25 25 PHE H H 55 8.200 8.825 -0.625 1
1 262 . 7 1 1 A 25 25 PHE HA H 55 4.240 4.186 0.054 1
1 267 . 7 1 1 A 25 25 PHE C C 55 176.300 177.951 -1.651 1
1 268 . 7 1 1 A 25 25 PHE CA C 55 58.500 61.439 -2.939 1
1 269 . 7 1 1 A 25 25 PHE CB C 55 36.300 39.117 -2.817 1
1 273 . 7 1 1 A 25 25 PHE N N 55 119.100 118.665 0.435 1
1 274 . 7 1 1 A 26 26 GLY H H 56 8.570 9.030 -0.460 1
1 275 . 7 1 1 A 26 26 GLY HA2 H 56 3.580 3.912 -0.332 1
1 276 . 7 1 1 A 26 26 GLY HA3 H 56 3.670 3.948 -0.278 1
1 277 . 7 1 1 A 26 26 GLY C C 56 172.200 175.992 -3.792 1
1 278 . 7 1 1 A 26 26 GLY CA C 56 44.900 47.243 -2.343 1
1 279 . 7 1 1 A 26 26 GLY N N 56 108.900 106.798 2.102 1
1 280 . 7 1 1 A 27 27 VAL H H 57 8.550 8.156 0.394 1
1 281 . 7 1 1 A 27 27 VAL HA H 57 3.640 3.651 -0.011 1
1 289 . 7 1 1 A 27 27 VAL C C 57 175.000 177.754 -2.754 1
1 290 . 7 1 1 A 27 27 VAL CA C 57 63.800 65.997 -2.197 1
1 291 . 7 1 1 A 27 27 VAL CB C 57 29.000 31.611 -2.611 1
1 294 . 7 1 1 A 27 27 VAL N N 57 120.000 122.080 -2.080 1
1 295 . 7 1 1 A 28 28 ARG H H 58 8.030 8.200 -0.170 1
1 296 . 7 1 1 A 28 28 ARG HA H 58 4.020 4.022 -0.002 1
1 301 . 7 1 1 A 28 28 ARG C C 58 176.700 178.257 -1.557 1
1 302 . 7 1 1 A 28 28 ARG CA C 58 56.700 58.394 -1.694 1
1 303 . 7 1 1 A 28 28 ARG CB C 58 27.600 30.172 -2.572 1
1 306 . 7 1 1 A 28 28 ARG N N 58 118.300 120.853 -2.553 1
1 307 . 7 1 1 A 29 29 SER H H 59 8.020 7.886 0.134 1
1 308 . 7 1 1 A 29 29 SER HA H 59 4.280 4.062 0.218 1
1 310 . 7 1 1 A 29 29 SER C C 59 173.300 176.874 -3.574 1
1 311 . 7 1 1 A 29 29 SER CA C 59 58.200 60.969 -2.769 1
1 312 . 7 1 1 A 29 29 SER CB C 59 60.700 62.631 -1.931 1
1 313 . 7 1 1 A 29 29 SER N N 59 114.700 115.206 -0.506 1
1 314 . 7 1 1 A 30 30 GLY H H 60 8.310 8.226 0.084 1
1 315 . 7 1 1 A 30 30 GLY HA2 H 60 3.630 3.575 0.055 1
1 316 . 7 1 1 A 30 30 GLY HA3 H 60 3.750 3.658 0.092 1
1 317 . 7 1 1 A 30 30 GLY C C 60 171.900 175.846 -3.946 1
1 318 . 7 1 1 A 30 30 GLY CA C 60 44.500 47.241 -2.741 1
1 319 . 7 1 1 A 30 30 GLY N N 60 109.700 109.324 0.376 1
1 320 . 7 1 1 A 31 31 ALA H H 61 8.330 7.937 0.393 1
1 321 . 7 1 1 A 31 31 ALA HA H 61 3.970 4.030 -0.060 1
1 325 . 7 1 1 A 31 31 ALA C C 61 177.200 179.588 -2.388 1
1 326 . 7 1 1 A 31 31 ALA CA C 61 52.900 54.687 -1.787 1
1 327 . 7 1 1 A 31 31 ALA CB C 61 15.500 18.505 -3.005 1
1 328 . 7 1 1 A 31 31 ALA N N 61 122.700 124.716 -2.016 1
1 329 . 7 1 1 A 32 32 ALA H H 62 7.860 8.210 -0.350 1
1 330 . 7 1 1 A 32 32 ALA HA H 62 4.120 4.007 0.113 1
1 334 . 7 1 1 A 32 32 ALA C C 62 177.400 179.765 -2.365 1
1 335 . 7 1 1 A 32 32 ALA CA C 62 52.200 54.954 -2.754 1
1 336 . 7 1 1 A 32 32 ALA CB C 62 15.600 18.129 -2.529 1
1 337 . 7 1 1 A 32 32 ALA N N 62 120.400 120.080 0.320 1
1 338 . 7 1 1 A 33 33 ALA H H 63 7.920 8.224 -0.304 1
1 339 . 7 1 1 A 33 33 ALA HA H 63 4.070 4.078 -0.008 1
1 343 . 7 1 1 A 33 33 ALA C C 63 176.200 179.691 -3.491 1
1 344 . 7 1 1 A 33 33 ALA CA C 63 52.100 55.032 -2.932 1
1 345 . 7 1 1 A 33 33 ALA CB C 63 15.800 18.280 -2.480 1
1 346 . 7 1 1 A 33 33 ALA N N 63 120.100 121.016 -0.916 1
1 347 . 7 1 1 A 34 34 LEU H H 64 8.090 8.174 -0.084 1
1 348 . 7 1 1 A 34 34 LEU HA H 64 3.980 4.019 -0.039 1
1 358 . 7 1 1 A 34 34 LEU C C 64 175.900 178.703 -2.803 1
1 359 . 7 1 1 A 34 34 LEU CA C 64 55.500 58.346 -2.846 1
1 360 . 7 1 1 A 34 34 LEU CB C 64 39.100 41.871 -2.771 1
1 364 . 7 1 1 A 34 34 LEU N N 64 116.400 120.171 -3.771 1
1 365 . 7 1 1 A 35 35 THR H H 65 7.860 8.211 -0.351 1
1 366 . 7 1 1 A 35 35 THR HA H 65 3.770 3.929 -0.159 1
1 371 . 7 1 1 A 35 35 THR C C 65 173.100 176.262 -3.162 1
1 372 . 7 1 1 A 35 35 THR CA C 65 64.600 65.390 -0.790 1
1 373 . 7 1 1 A 35 35 THR CB C 65 66.000 68.940 -2.940 1
1 375 . 7 1 1 A 35 35 THR N N 65 113.500 114.141 -0.641 1
1 376 . 7 1 1 A 36 36 LEU H H 66 7.430 7.874 -0.444 1
1 377 . 7 1 1 A 36 36 LEU HA H 66 4.000 4.100 -0.100 1
1 387 . 7 1 1 A 36 36 LEU C C 66 176.800 178.508 -1.708 1
1 388 . 7 1 1 A 36 36 LEU CA C 66 55.500 58.318 -2.818 1
1 389 . 7 1 1 A 36 36 LEU CB C 66 39.200 41.171 -1.971 1
1 393 . 7 1 1 A 36 36 LEU N N 66 120.200 121.986 -1.786 1
1 394 . 7 1 1 A 37 37 ILE H H 67 7.750 8.151 -0.401 1
1 395 . 7 1 1 A 37 37 ILE HA H 67 3.800 3.587 0.213 1
1 405 . 7 1 1 A 37 37 ILE C C 67 175.000 177.971 -2.971 1
1 406 . 7 1 1 A 37 37 ILE CA C 67 62.600 65.702 -3.102 1
1 407 . 7 1 1 A 37 37 ILE CB C 67 35.300 37.486 -2.186 1
1 411 . 7 1 1 A 37 37 ILE N N 67 119.600 118.798 0.802 1
1 412 . 7 1 1 A 38 38 VAL H H 68 8.250 7.953 0.297 1
1 413 . 7 1 1 A 38 38 VAL HA H 68 3.590 3.656 -0.066 1
1 421 . 7 1 1 A 38 38 VAL C C 68 176.600 178.013 -1.413 1
1 422 . 7 1 1 A 38 38 VAL CA C 68 65.000 66.841 -1.841 1
1 423 . 7 1 1 A 38 38 VAL CB C 68 28.900 31.725 -2.825 1
1 426 . 7 1 1 A 38 38 VAL N N 68 119.600 119.699 -0.099 1
1 427 . 7 1 1 A 39 39 VAL H H 69 8.370 8.529 -0.159 1
1 428 . 7 1 1 A 39 39 VAL HA H 69 3.620 3.689 -0.069 1
1 436 . 7 1 1 A 39 39 VAL C C 69 175.800 178.121 -2.321 1
1 437 . 7 1 1 A 39 39 VAL CA C 69 64.200 65.145 -0.945 1
1 438 . 7 1 1 A 39 39 VAL CB C 69 28.900 31.274 -2.374 1
1 441 . 7 1 1 A 39 39 VAL N N 69 121.700 119.737 1.963 1
1 442 . 7 1 1 A 40 40 TRP H H 70 8.320 8.665 -0.345 1
1 443 . 7 1 1 A 40 40 TRP HA H 70 4.150 4.297 -0.147 1
1 449 . 7 1 1 A 40 40 TRP C C 70 176.600 178.444 -1.844 1
1 450 . 7 1 1 A 40 40 TRP CA C 70 59.700 61.238 -1.538 1
1 451 . 7 1 1 A 40 40 TRP CB C 70 26.400 29.629 -3.229 1
1 454 . 7 1 1 A 40 40 TRP N N 70 122.400 122.986 -0.586 1
1 456 . 7 1 1 A 41 41 ILE H H 71 8.780 8.419 0.361 1
1 457 . 7 1 1 A 41 41 ILE HA H 71 3.510 3.454 0.056 1
1 467 . 7 1 1 A 41 41 ILE C C 71 175.600 178.246 -2.646 1
1 468 . 7 1 1 A 41 41 ILE CA C 71 62.500 64.610 -2.110 1
1 469 . 7 1 1 A 41 41 ILE CB C 71 35.700 37.980 -2.280 1
1 473 . 7 1 1 A 41 41 ILE N N 71 117.500 121.181 -3.681 1
1 474 . 7 1 1 A 42 42 THR H H 72 8.280 8.341 -0.061 1
1 475 . 7 1 1 A 42 42 THR HA H 72 4.000 3.785 0.215 1
1 480 . 7 1 1 A 42 42 THR C C 72 173.800 176.613 -2.813 1
1 481 . 7 1 1 A 42 42 THR CA C 72 62.500 65.843 -3.343 1
1 482 . 7 1 1 A 42 42 THR CB C 72 66.500 68.995 -2.495 1
1 484 . 7 1 1 A 42 42 THR N N 72 110.700 114.757 -4.057 1
1 485 . 7 1 1 A 43 43 SER H H 73 7.810 8.157 -0.347 1
1 486 . 7 1 1 A 43 43 SER HA H 73 4.320 4.452 -0.132 1
1 488 . 7 1 1 A 43 43 SER C C 73 172.800 173.294 -0.494 1
1 489 . 7 1 1 A 43 43 SER CA C 73 57.600 57.956 -0.356 1
1 490 . 7 1 1 A 43 43 SER CB C 73 60.900 63.225 -2.325 1
1 491 . 7 1 1 A 43 43 SER N N 73 115.900 114.598 1.302 1
1 492 . 7 1 1 A 44 44 ARG H H 74 7.490 7.455 0.035 1
1 493 . 7 1 1 A 44 44 ARG HA H 74 4.120 3.527 0.593 1
1 500 . 7 1 1 A 44 44 ARG C C 74 174.200 175.146 -0.946 1
1 501 . 7 1 1 A 44 44 ARG CA C 74 53.600 56.386 -2.786 1
1 502 . 7 1 1 A 44 44 ARG CB C 74 27.700 27.218 0.482 1
1 505 . 7 1 1 A 44 44 ARG N N 74 120.100 118.330 1.770 1
1 506 . 7 1 1 A 45 45 SER H H 75 7.890 7.362 0.528 1
1 507 . 7 1 1 A 45 45 SER HA H 75 4.210 4.221 -0.011 1
1 509 . 7 1 1 A 45 45 SER C C 75 172.300 174.440 -2.140 1
1 510 . 7 1 1 A 45 45 SER CA C 75 56.800 60.005 -3.205 1
1 511 . 7 1 1 A 45 45 SER CB C 75 60.900 63.614 -2.714 1
1 512 . 7 1 1 A 45 45 SER N N 75 114.400 113.843 0.557 1
1 513 . 7 1 1 A 46 46 ARG H H 76 7.850 8.852 -1.002 1
1 514 . 7 1 1 A 46 46 ARG HA H 76 4.220 4.678 -0.458 1
1 519 . 7 1 1 A 46 46 ARG C C 76 173.500 176.184 -2.684 1
1 520 . 7 1 1 A 46 46 ARG CA C 76 53.900 55.858 -1.958 1
1 521 . 7 1 1 A 46 46 ARG CB C 76 27.800 31.484 -3.684 1
1 524 . 7 1 1 A 46 46 ARG N N 76 120.600 126.443 -5.843 1
1 525 . 7 1 1 A 47 47 LYS H H 77 7.900 8.074 -0.174 1
1 526 . 7 1 1 A 47 47 LYS HA H 77 4.320 4.595 -0.275 1
1 533 . 7 1 1 A 47 47 LYS C C 77 173.600 175.342 -1.742 1
1 534 . 7 1 1 A 47 47 LYS CA C 77 53.400 55.019 -1.619 1
1 535 . 7 1 1 A 47 47 LYS CB C 77 30.500 32.534 -2.034 1
1 539 . 7 1 1 A 47 47 LYS N N 77 119.100 116.086 3.014 1
1 540 . 7 1 1 A 48 48 THR H H 78 7.840 8.633 -0.793 1
1 541 . 7 1 1 A 48 48 THR HA H 78 4.390 5.073 -0.683 1
1 546 . 7 1 1 A 48 48 THR C C 78 174.000 172.260 1.740 1
1 547 . 7 1 1 A 48 48 THR CA C 78 59.500 58.550 0.950 1
1 548 . 7 1 1 A 48 48 THR CB C 78 66.600 69.970 -3.370 1
1 550 . 7 1 1 A 48 48 THR N N 78 116.200 113.201 2.999 1
1 551 . 7 1 1 A 49 49 PRO HA H 79 4.410 4.712 -0.302 1
1 557 . 7 1 1 A 49 49 PRO CA C 79 60.800 63.030 -2.230 1
1 558 . 7 1 1 A 49 49 PRO CB C 79 28.900 31.826 -2.926 1
1 561 . 7 1 1 A 50 50 ILE H H 80 7.850 8.536 -0.686 1
1 562 . 7 1 1 A 50 50 ILE HA H 80 3.880 3.808 0.072 1
1 572 . 7 1 1 A 50 50 ILE C C 80 173.500 177.640 -4.140 1
1 573 . 7 1 1 A 50 50 ILE CA C 80 59.800 64.229 -4.429 1
1 574 . 7 1 1 A 50 50 ILE CB C 80 35.600 37.741 -2.141 1
1 578 . 7 1 1 A 50 50 ILE N N 80 119.400 124.002 -4.602 1
1 579 . 7 1 1 A 51 51 PHE H H 81 7.730 8.483 -0.753 1
1 580 . 7 1 1 A 51 51 PHE HA H 81 4.500 4.120 0.380 1
1 585 . 7 1 1 A 51 51 PHE CA C 81 56.200 61.663 -5.463 1
1 586 . 7 1 1 A 51 51 PHE CB C 81 36.500 39.173 -2.673 1
1 590 . 7 1 1 A 51 51 PHE N N 81 118.900 123.638 -4.738 1
1 591 . 7 1 1 A 52 52 ILE H H 82 7.420 8.247 -0.827 1
1 592 . 7 1 1 A 52 52 ILE HA H 82 3.880 3.765 0.115 1
1 602 . 7 1 1 A 52 52 ILE C C 82 173.800 177.936 -4.136 1
1 603 . 7 1 1 A 52 52 ILE CA C 82 59.700 65.027 -5.327 1
1 604 . 7 1 1 A 52 52 ILE CB C 82 35.400 38.172 -2.772 1
1 608 . 7 1 1 A 52 52 ILE N N 82 118.000 120.556 -2.556 1
1 609 . 7 1 1 A 53 53 ILE H H 83 7.540 8.010 -0.470 1
1 610 . 7 1 1 A 53 53 ILE HA H 83 3.890 3.466 0.424 1
1 620 . 7 1 1 A 53 53 ILE C C 83 174.300 178.253 -3.953 1
1 621 . 7 1 1 A 53 53 ILE CA C 83 59.800 65.266 -5.466 1
1 622 . 7 1 1 A 53 53 ILE CB C 83 35.600 37.624 -2.024 1
1 626 . 7 1 1 A 53 53 ILE N N 83 119.300 119.747 -0.447 1
1 627 . 7 1 1 A 54 54 ASN H H 84 8.030 8.559 -0.529 1
1 628 . 7 1 1 A 54 54 ASN HA H 84 4.620 4.254 0.366 1
1 631 . 7 1 1 A 54 54 ASN CA C 84 51.500 56.866 -5.366 1
1 632 . 7 1 1 A 54 54 ASN CB C 84 36.500 39.478 -2.978 1
1 633 . 7 1 1 A 54 54 ASN N N 84 118.300 119.339 -1.039 1
1 634 . 7 1 1 A 55 55 GLN H H 85 8.040 8.099 -0.059 1
1 635 . 7 1 1 A 55 55 GLN HA H 85 4.210 3.922 0.288 1
1 639 . 7 1 1 A 55 55 GLN CA C 85 54.400 59.303 -4.903 1
1 640 . 7 1 1 A 55 55 GLN CB C 85 25.600 28.450 -2.850 1
1 642 . 7 1 1 A 56 56 VAL H H 86 7.720 8.344 -0.624 1
1 643 . 7 1 1 A 56 56 VAL HA H 86 3.800 3.684 0.116 1
1 651 . 7 1 1 A 56 56 VAL C C 86 174.200 178.100 -3.900 1
1 652 . 7 1 1 A 56 56 VAL CA C 86 62.700 66.978 -4.278 1
1 653 . 7 1 1 A 56 56 VAL CB C 86 29.100 31.526 -2.426 1
1 656 . 7 1 1 A 56 56 VAL N N 86 118.700 120.625 -1.925 1
1 657 . 7 1 1 A 57 57 SER H H 87 8.080 8.093 -0.013 1
1 658 . 7 1 1 A 57 57 SER HA H 87 4.200 4.078 0.122 1
1 660 . 7 1 1 A 57 57 SER C C 87 173.800 177.404 -3.604 1
1 661 . 7 1 1 A 57 57 SER CA C 87 58.400 61.736 -3.336 1
1 662 . 7 1 1 A 57 57 SER CB C 87 60.000 63.142 -3.142 1
1 663 . 7 1 1 A 57 57 SER N N 87 115.300 114.784 0.516 1
1 664 . 7 1 1 A 58 58 LEU H H 88 7.780 8.366 -0.586 1
1 665 . 7 1 1 A 58 58 LEU HA H 88 4.060 3.853 0.207 1
1 675 . 7 1 1 A 58 58 LEU CA C 88 55.300 58.066 -2.766 1
1 676 . 7 1 1 A 58 58 LEU CB C 88 39.200 41.561 -2.361 1
1 680 . 7 1 1 A 58 58 LEU N N 88 121.900 122.039 -0.139 1
1 681 . 7 1 1 A 59 59 PHE H H 89 7.980 8.543 -0.563 1
1 682 . 7 1 1 A 59 59 PHE HA H 89 4.190 4.323 -0.133 1
1 687 . 7 1 1 A 59 59 PHE C C 89 174.600 178.331 -3.731 1
1 688 . 7 1 1 A 59 59 PHE CA C 89 58.300 60.590 -2.290 1
1 689 . 7 1 1 A 59 59 PHE CB C 89 35.900 39.011 -3.111 1
1 693 . 7 1 1 A 59 59 PHE N N 89 117.100 118.195 -1.095 1
1 694 . 7 1 1 A 60 60 LEU H H 90 8.010 8.454 -0.444 1
1 695 . 7 1 1 A 60 60 LEU HA H 90 3.870 3.919 -0.049 1
1 705 . 7 1 1 A 60 60 LEU C C 90 176.800 179.417 -2.617 1
1 706 . 7 1 1 A 60 60 LEU CA C 90 55.400 58.154 -2.754 1
1 707 . 7 1 1 A 60 60 LEU CB C 90 38.900 41.429 -2.529 1
1 711 . 7 1 1 A 60 60 LEU N N 90 117.700 119.746 -2.046 1
1 712 . 7 1 1 A 61 61 ILE H H 91 7.910 7.781 0.129 1
1 713 . 7 1 1 A 61 61 ILE HA H 91 3.790 3.625 0.165 1
1 723 . 7 1 1 A 61 61 ILE CA C 91 62.500 65.384 -2.884 1
1 724 . 7 1 1 A 61 61 ILE CB C 91 35.400 37.803 -2.403 1
1 728 . 7 1 1 A 61 61 ILE N N 91 118.400 119.574 -1.174 1
1 729 . 7 1 1 A 62 62 ILE H H 92 7.930 8.142 -0.212 1
1 730 . 7 1 1 A 62 62 ILE HA H 92 3.620 3.498 0.122 1
1 740 . 7 1 1 A 62 62 ILE C C 92 175.000 178.004 -3.004 1
1 741 . 7 1 1 A 62 62 ILE CA C 92 62.800 65.578 -2.778 1
1 742 . 7 1 1 A 62 62 ILE CB C 92 34.600 37.877 -3.277 1
1 746 . 7 1 1 A 62 62 ILE N N 92 121.800 120.045 1.755 1
1 747 . 7 1 1 A 63 63 LEU H H 93 8.250 8.411 -0.161 1
1 748 . 7 1 1 A 63 63 LEU HA H 93 3.880 4.054 -0.174 1
1 758 . 7 1 1 A 63 63 LEU C C 93 175.900 179.369 -3.469 1
1 759 . 7 1 1 A 63 63 LEU CA C 93 55.800 58.691 -2.891 1
1 760 . 7 1 1 A 63 63 LEU CB C 93 39.100 42.166 -3.066 1
1 764 . 7 1 1 A 63 63 LEU N N 93 119.800 121.490 -1.690 1
1 765 . 7 1 1 A 64 64 HIS H H 94 8.330 8.706 -0.376 1
1 766 . 7 1 1 A 64 64 HIS HA H 94 4.290 4.192 0.098 1
1 770 . 7 1 1 A 64 64 HIS C C 94 175.200 177.084 -1.884 1
1 771 . 7 1 1 A 64 64 HIS CA C 94 56.000 59.824 -3.824 1
1 772 . 7 1 1 A 64 64 HIS CB C 94 25.900 29.733 -3.833 1
1 775 . 7 1 1 A 64 64 HIS N N 94 114.700 119.069 -4.369 1
1 776 . 7 1 1 A 65 65 SER H H 95 8.150 8.365 -0.215 1
1 777 . 7 1 1 A 65 65 SER HA H 95 4.250 3.830 0.420 1
1 779 . 7 1 1 A 65 65 SER C C 95 172.500 176.494 -3.994 1
1 780 . 7 1 1 A 65 65 SER CA C 95 59.900 61.762 -1.862 1
1 781 . 7 1 1 A 65 65 SER CB C 95 60.500 62.519 -2.019 1
1 782 . 7 1 1 A 65 65 SER N N 95 116.200 115.018 1.182 1
1 783 . 7 1 1 A 66 66 ALA H H 96 8.220 8.165 0.055 1
1 784 . 7 1 1 A 66 66 ALA HA H 96 4.080 4.328 -0.248 1
1 788 . 7 1 1 A 66 66 ALA C C 96 176.400 179.963 -3.563 1
1 789 . 7 1 1 A 66 66 ALA CA C 96 52.600 55.095 -2.495 1
1 790 . 7 1 1 A 66 66 ALA CB C 96 15.600 18.095 -2.495 1
1 791 . 7 1 1 A 66 66 ALA N N 96 123.500 123.573 -0.073 1
1 792 . 7 1 1 A 67 67 LEU H H 97 7.870 8.659 -0.789 1
1 793 . 7 1 1 A 67 67 LEU HA H 97 3.980 3.981 -0.001 1
1 803 . 7 1 1 A 67 67 LEU C C 97 176.700 178.979 -2.279 1
1 804 . 7 1 1 A 67 67 LEU CA C 97 55.000 58.002 -3.002 1
1 805 . 7 1 1 A 67 67 LEU CB C 97 38.700 42.243 -3.543 1
1 809 . 7 1 1 A 67 67 LEU N N 97 115.800 119.075 -3.275 1
1 810 . 7 1 1 A 68 68 TYR H H 98 7.830 8.461 -0.631 1
1 811 . 7 1 1 A 68 68 TYR HA H 98 4.320 4.149 0.171 1
1 816 . 7 1 1 A 68 68 TYR C C 98 174.900 177.474 -2.574 1
1 817 . 7 1 1 A 68 68 TYR CA C 98 58.200 61.897 -3.697 1
1 818 . 7 1 1 A 68 68 TYR CB C 98 35.500 38.253 -2.753 1
1 821 . 7 1 1 A 68 68 TYR N N 98 120.300 119.248 1.052 1
1 822 . 7 1 1 A 69 69 PHE H H 99 8.110 8.561 -0.451 1
1 823 . 7 1 1 A 69 69 PHE HA H 99 4.200 4.285 -0.085 1
1 828 . 7 1 1 A 69 69 PHE C C 99 173.600 177.455 -3.855 1
1 829 . 7 1 1 A 69 69 PHE CA C 99 58.400 61.638 -3.238 1
1 830 . 7 1 1 A 69 69 PHE CB C 99 36.100 39.237 -3.137 1
1 834 . 7 1 1 A 69 69 PHE N N 99 117.600 120.911 -3.311 1
1 835 . 7 1 1 A 70 70 LYS H H 100 8.030 8.514 -0.484 1
1 836 . 7 1 1 A 70 70 LYS HA H 100 3.800 3.932 -0.132 1
1 843 . 7 1 1 A 70 70 LYS C C 100 175.700 178.551 -2.851 1
1 844 . 7 1 1 A 70 70 LYS CA C 100 57.300 59.480 -2.180 1
1 845 . 7 1 1 A 70 70 LYS CB C 100 29.500 32.060 -2.560 1
1 849 . 7 1 1 A 70 70 LYS N N 100 118.300 117.834 0.466 1
1 850 . 7 1 1 A 71 71 TYR H H 101 7.720 8.642 -0.922 1
1 851 . 7 1 1 A 71 71 TYR HA H 101 4.210 4.067 0.143 1
1 856 . 7 1 1 A 71 71 TYR C C 101 175.300 177.336 -2.036 1
1 857 . 7 1 1 A 71 71 TYR CA C 101 57.800 61.320 -3.520 1
1 858 . 7 1 1 A 71 71 TYR CB C 101 34.700 38.607 -3.907 1
1 861 . 7 1 1 A 71 71 TYR N N 101 119.600 121.392 -1.792 1
1 862 . 7 1 1 A 72 72 LEU H H 102 7.950 8.426 -0.476 1
1 863 . 7 1 1 A 72 72 LEU HA H 102 3.800 3.937 -0.137 1
1 870 . 7 1 1 A 72 72 LEU C C 102 176.300 179.210 -2.910 1
1 871 . 7 1 1 A 72 72 LEU CA C 102 55.100 58.226 -3.126 1
1 872 . 7 1 1 A 72 72 LEU CB C 102 39.500 41.814 -2.314 1
1 876 . 7 1 1 A 72 72 LEU N N 102 121.000 120.815 0.185 1
1 877 . 7 1 1 A 73 73 LEU H H 103 7.870 7.921 -0.051 1
1 878 . 7 1 1 A 73 73 LEU HA H 103 4.030 4.099 -0.069 1
1 888 . 7 1 1 A 73 73 LEU C C 103 176.200 178.567 -2.367 1
1 889 . 7 1 1 A 73 73 LEU CA C 103 54.500 58.012 -3.512 1
1 890 . 7 1 1 A 73 73 LEU CB C 103 39.200 41.091 -1.891 1
1 894 . 7 1 1 A 73 73 LEU N N 103 116.900 117.839 -0.939 1
1 895 . 7 1 1 A 74 74 SER H H 104 7.780 8.407 -0.627 1
1 896 . 7 1 1 A 74 74 SER HA H 104 4.230 3.987 0.243 1
1 898 . 7 1 1 A 74 74 SER C C 104 172.800 177.222 -4.422 1
1 899 . 7 1 1 A 74 74 SER CA C 104 57.900 61.569 -3.669 1
1 900 . 7 1 1 A 74 74 SER CB C 104 60.800 62.832 -2.032 1
1 901 . 7 1 1 A 74 74 SER N N 104 113.200 115.216 -2.016 1
1 902 . 7 1 1 A 75 75 ASN H H 105 7.720 7.997 -0.277 1
1 903 . 7 1 1 A 75 75 ASN HA H 105 4.530 4.324 0.206 1
1 906 . 7 1 1 A 75 75 ASN C C 105 173.100 177.135 -4.035 1
1 907 . 7 1 1 A 75 75 ASN CA C 105 51.800 55.719 -3.919 1
1 908 . 7 1 1 A 75 75 ASN CB C 105 36.600 38.519 -1.919 1
1 909 . 7 1 1 A 75 75 ASN N N 105 118.400 119.287 -0.887 1
1 910 . 7 1 1 A 76 76 TYR H H 106 7.720 7.959 -0.239 1
1 911 . 7 1 1 A 76 76 TYR HA H 106 4.380 4.361 0.019 1
1 916 . 7 1 1 A 76 76 TYR C C 106 173.000 176.251 -3.251 1
1 917 . 7 1 1 A 76 76 TYR CA C 106 56.700 60.521 -3.821 1
1 918 . 7 1 1 A 76 76 TYR CB C 106 36.100 38.214 -2.114 1
1 921 . 7 1 1 A 76 76 TYR N N 106 118.900 118.854 0.046 1
1 922 . 7 1 1 A 77 77 SER H H 107 7.650 7.646 0.004 1
1 923 . 7 1 1 A 77 77 SER HA H 107 4.330 4.703 -0.373 1
1 926 . 7 1 1 A 77 77 SER C C 107 171.800 172.879 -1.079 1
1 927 . 7 1 1 A 77 77 SER CA C 107 55.800 56.786 -0.986 1
1 928 . 7 1 1 A 77 77 SER CB C 107 61.400 63.827 -2.427 1
1 929 . 7 1 1 A 77 77 SER N N 107 114.300 114.015 0.285 1
1 930 . 7 1 1 A 78 78 SER H H 108 7.940 7.477 0.463 1
1 931 . 7 1 1 A 78 78 SER HA H 108 4.440 5.420 -0.980 1
1 933 . 7 1 1 A 78 78 SER C C 108 171.900 173.718 -1.818 1
1 934 . 7 1 1 A 78 78 SER CA C 108 55.800 55.933 -0.133 1
1 935 . 7 1 1 A 78 78 SER CB C 108 61.200 65.542 -4.342 1
1 936 . 7 1 1 A 78 78 SER N N 108 116.600 115.646 0.954 1
1 937 . 7 1 1 A 79 79 VAL H H 109 7.850 8.606 -0.756 1
1 938 . 7 1 1 A 79 79 VAL HA H 109 4.170 4.743 -0.573 1
1 943 . 7 1 1 A 79 79 VAL C C 109 172.900 174.491 -1.591 1
1 944 . 7 1 1 A 79 79 VAL CA C 109 59.900 60.161 -0.261 1
1 945 . 7 1 1 A 79 79 VAL CB C 109 29.900 34.298 -4.398 1
1 948 . 7 1 1 A 79 79 VAL N N 109 120.200 118.801 1.399 1
1 3 . 8 1 1 A 2 2 ASN HA H 32 4.710 5.192 -0.482 1
1 6 . 8 1 1 A 2 2 ASN CA C 32 50.800 51.850 -1.050 1
1 7 . 8 1 1 A 2 2 ASN CB C 32 36.400 41.382 -4.982 1
1 8 . 8 1 1 A 3 3 GLY H H 33 8.470 8.674 -0.204 1
1 9 . 8 1 1 A 3 3 GLY HA2 H 33 3.890 3.923 -0.033 1
1 10 . 8 1 1 A 3 3 GLY HA3 H 33 3.990 3.923 0.067 1
1 11 . 8 1 1 A 3 3 GLY C C 33 171.500 173.953 -2.453 1
1 12 . 8 1 1 A 3 3 GLY CA C 33 42.900 45.184 -2.284 1
1 13 . 8 1 1 A 3 3 GLY N N 33 109.300 109.711 -0.411 1
1 14 . 8 1 1 A 4 4 SER H H 34 8.020 8.437 -0.417 1
1 15 . 8 1 1 A 4 4 SER HA H 34 4.480 4.911 -0.431 1
1 17 . 8 1 1 A 4 4 SER C C 34 171.700 172.920 -1.220 1
1 18 . 8 1 1 A 4 4 SER CA C 34 55.600 56.729 -1.129 1
1 19 . 8 1 1 A 4 4 SER CB C 34 61.400 63.351 -1.951 1
1 20 . 8 1 1 A 4 4 SER N N 34 115.200 113.148 2.052 1
1 21 . 8 1 1 A 5 5 THR H H 35 8.030 8.895 -0.865 1
1 22 . 8 1 1 A 5 5 THR HA H 35 4.300 4.559 -0.259 1
1 27 . 8 1 1 A 5 5 THR C C 35 171.400 174.182 -2.782 1
1 28 . 8 1 1 A 5 5 THR CA C 35 59.500 61.120 -1.620 1
1 29 . 8 1 1 A 5 5 THR CB C 35 67.200 69.475 -2.275 1
1 31 . 8 1 1 A 5 5 THR N N 35 115.600 119.672 -4.072 1
1 32 . 8 1 1 A 6 6 ILE H H 36 7.850 7.390 0.460 1
1 33 . 8 1 1 A 6 6 ILE HA H 36 4.260 4.356 -0.096 1
1 43 . 8 1 1 A 6 6 ILE C C 36 171.900 175.841 -3.941 1
1 44 . 8 1 1 A 6 6 ILE CA C 36 58.200 59.899 -1.699 1
1 45 . 8 1 1 A 6 6 ILE CB C 36 36.500 39.901 -3.401 1
1 49 . 8 1 1 A 6 6 ILE N N 36 122.000 122.882 -0.882 1
1 50 . 8 1 1 A 7 7 THR H H 37 7.680 8.212 -0.532 1
1 51 . 8 1 1 A 7 7 THR HA H 37 4.570 4.507 0.063 1
1 56 . 8 1 1 A 7 7 THR C C 37 172.800 176.071 -3.271 1
1 57 . 8 1 1 A 7 7 THR CA C 37 57.400 61.259 -3.859 1
1 58 . 8 1 1 A 7 7 THR CB C 37 68.700 70.485 -1.785 1
1 60 . 8 1 1 A 7 7 THR N N 37 114.700 118.443 -3.743 1
1 61 . 8 1 1 A 8 8 PHE H H 38 8.830 9.048 -0.218 1
1 62 . 8 1 1 A 8 8 PHE HA H 38 4.250 4.361 -0.111 1
1 67 . 8 1 1 A 8 8 PHE C C 38 174.700 177.886 -3.186 1
1 68 . 8 1 1 A 8 8 PHE CA C 38 58.400 61.814 -3.414 1
1 69 . 8 1 1 A 8 8 PHE CB C 38 36.000 38.016 -2.016 1
1 73 . 8 1 1 A 8 8 PHE N N 38 120.900 122.387 -1.487 1
1 74 . 8 1 1 A 9 9 ASP H H 39 8.400 8.523 -0.123 1
1 75 . 8 1 1 A 9 9 ASP HA H 39 4.280 4.248 0.032 1
1 77 . 8 1 1 A 9 9 ASP C C 39 176.100 178.624 -2.524 1
1 78 . 8 1 1 A 9 9 ASP CA C 39 54.500 57.196 -2.696 1
1 79 . 8 1 1 A 9 9 ASP CB C 39 37.800 40.341 -2.541 1
1 80 . 8 1 1 A 9 9 ASP N N 39 117.400 121.214 -3.814 1
1 81 . 8 1 1 A 10 10 GLU H H 40 7.740 8.346 -0.606 1
1 82 . 8 1 1 A 10 10 GLU HA H 40 4.090 4.087 0.003 1
1 86 . 8 1 1 A 10 10 GLU C C 40 176.100 179.415 -3.315 1
1 87 . 8 1 1 A 10 10 GLU CA C 40 55.700 59.198 -3.498 1
1 88 . 8 1 1 A 10 10 GLU CB C 40 26.800 29.405 -2.605 1
1 90 . 8 1 1 A 10 10 GLU N N 40 118.800 118.072 0.728 1
1 91 . 8 1 1 A 11 11 LEU H H 41 7.770 8.245 -0.475 1
1 92 . 8 1 1 A 11 11 LEU HA H 41 4.040 3.973 0.067 1
1 102 . 8 1 1 A 11 11 LEU C C 41 175.500 179.105 -3.605 1
1 103 . 8 1 1 A 11 11 LEU CA C 41 54.600 58.096 -3.496 1
1 104 . 8 1 1 A 11 11 LEU CB C 41 39.200 41.241 -2.041 1
1 108 . 8 1 1 A 11 11 LEU N N 41 119.500 120.798 -1.298 1
1 109 . 8 1 1 A 12 12 GLN H H 42 8.070 8.170 -0.100 1
1 110 . 8 1 1 A 12 12 GLN HA H 42 3.770 4.037 -0.267 1
1 114 . 8 1 1 A 12 12 GLN C C 42 175.400 179.359 -3.959 1
1 115 . 8 1 1 A 12 12 GLN CA C 42 56.500 58.888 -2.388 1
1 116 . 8 1 1 A 12 12 GLN CB C 42 25.800 28.412 -2.612 1
1 118 . 8 1 1 A 12 12 GLN N N 42 116.800 117.094 -0.294 1
1 119 . 8 1 1 A 13 13 GLY H H 43 7.810 8.296 -0.486 1
1 120 . 8 1 1 A 13 13 GLY HA2 H 43 3.850 3.722 0.128 1
1 121 . 8 1 1 A 13 13 GLY HA3 H 43 3.910 3.724 0.186 1
1 122 . 8 1 1 A 13 13 GLY C C 43 173.000 176.175 -3.175 1
1 123 . 8 1 1 A 13 13 GLY CA C 43 43.800 47.361 -3.561 1
1 124 . 8 1 1 A 13 13 GLY N N 43 105.400 108.777 -3.377 1
1 125 . 8 1 1 A 14 14 LEU H H 44 7.650 8.387 -0.737 1
1 126 . 8 1 1 A 14 14 LEU HA H 44 4.210 4.021 0.189 1
1 136 . 8 1 1 A 14 14 LEU C C 44 176.000 179.208 -3.208 1
1 137 . 8 1 1 A 14 14 LEU CA C 44 54.200 57.992 -3.792 1
1 138 . 8 1 1 A 14 14 LEU CB C 44 40.000 41.865 -1.865 1
1 142 . 8 1 1 A 14 14 LEU N N 44 120.900 123.204 -2.304 1
1 143 . 8 1 1 A 15 15 VAL H H 45 7.760 8.373 -0.613 1
1 144 . 8 1 1 A 15 15 VAL HA H 45 3.740 3.834 -0.094 1
1 152 . 8 1 1 A 15 15 VAL C C 45 173.100 177.490 -4.390 1
1 153 . 8 1 1 A 15 15 VAL CA C 45 61.800 64.872 -3.072 1
1 154 . 8 1 1 A 15 15 VAL CB C 45 29.100 31.498 -2.398 1
1 157 . 8 1 1 A 15 15 VAL N N 45 117.200 118.609 -1.409 1
1 158 . 8 1 1 A 16 16 ASN H H 46 7.820 8.061 -0.241 1
1 159 . 8 1 1 A 16 16 ASN HA H 46 4.600 4.555 0.045 1
1 161 . 8 1 1 A 16 16 ASN CA C 46 51.400 55.874 -4.474 1
1 162 . 8 1 1 A 16 16 ASN CB C 46 36.000 39.017 -3.017 1
1 163 . 8 1 1 A 16 16 ASN N N 46 118.400 120.522 -2.122 1
1 164 . 8 1 1 A 17 17 SER H H 47 8.160 7.983 0.177 1
1 165 . 8 1 1 A 17 17 SER HA H 47 4.380 4.758 -0.378 1
1 168 . 8 1 1 A 17 17 SER CA C 47 57.900 57.180 0.720 1
1 169 . 8 1 1 A 17 17 SER CB C 47 61.000 63.182 -2.182 1
1 170 . 8 1 1 A 18 18 THR H H 48 8.130 8.017 0.113 1
1 171 . 8 1 1 A 18 18 THR HA H 48 3.990 4.535 -0.545 1
1 176 . 8 1 1 A 18 18 THR C C 48 173.800 175.201 -1.401 1
1 177 . 8 1 1 A 18 18 THR CA C 48 63.500 64.053 -0.553 1
1 178 . 8 1 1 A 18 18 THR CB C 48 66.000 70.083 -4.083 1
1 180 . 8 1 1 A 18 18 THR N N 48 118.300 114.544 3.756 1
1 181 . 8 1 1 A 19 19 VAL H H 49 8.100 8.473 -0.373 1
1 182 . 8 1 1 A 19 19 VAL HA H 49 3.640 3.795 -0.155 1
1 190 . 8 1 1 A 19 19 VAL C C 49 174.700 177.993 -3.293 1
1 191 . 8 1 1 A 19 19 VAL CA C 49 64.000 65.209 -1.209 1
1 192 . 8 1 1 A 19 19 VAL CB C 49 29.000 31.399 -2.399 1
1 195 . 8 1 1 A 19 19 VAL N N 49 120.800 121.164 -0.364 1
1 196 . 8 1 1 A 20 20 THR H H 50 7.830 8.189 -0.359 1
1 197 . 8 1 1 A 20 20 THR HA H 50 3.740 3.928 -0.188 1
1 202 . 8 1 1 A 20 20 THR C C 50 173.800 176.902 -3.102 1
1 203 . 8 1 1 A 20 20 THR CA C 50 64.400 65.352 -0.952 1
1 204 . 8 1 1 A 20 20 THR CB C 50 65.500 68.693 -3.193 1
1 206 . 8 1 1 A 20 20 THR N N 50 114.000 116.151 -2.151 1
1 207 . 8 1 1 A 21 21 GLN H H 51 7.920 8.060 -0.140 1
1 208 . 8 1 1 A 21 21 GLN HA H 51 3.970 4.084 -0.114 1
1 211 . 8 1 1 A 21 21 GLN C C 51 175.900 178.163 -2.263 1
1 212 . 8 1 1 A 21 21 GLN CA C 51 56.300 58.375 -2.075 1
1 213 . 8 1 1 A 21 21 GLN CB C 51 25.700 29.018 -3.318 1
1 215 . 8 1 1 A 21 21 GLN N N 51 118.400 120.519 -2.119 1
1 216 . 8 1 1 A 22 22 ALA H H 52 7.960 7.719 0.241 1
1 217 . 8 1 1 A 22 22 ALA HA H 52 4.160 4.164 -0.004 1
1 221 . 8 1 1 A 22 22 ALA C C 52 176.800 180.086 -3.286 1
1 222 . 8 1 1 A 22 22 ALA CA C 52 52.800 55.306 -2.506 1
1 223 . 8 1 1 A 22 22 ALA CB C 52 15.700 18.438 -2.738 1
1 224 . 8 1 1 A 22 22 ALA N N 52 122.200 122.024 0.176 1
1 225 . 8 1 1 A 23 23 ILE H H 53 8.100 8.108 -0.008 1
1 226 . 8 1 1 A 23 23 ILE HA H 53 3.660 3.704 -0.044 1
1 236 . 8 1 1 A 23 23 ILE C C 53 175.300 178.244 -2.944 1
1 237 . 8 1 1 A 23 23 ILE CA C 53 62.700 65.298 -2.598 1
1 238 . 8 1 1 A 23 23 ILE CB C 53 35.100 38.212 -3.112 1
1 242 . 8 1 1 A 23 23 ILE N N 53 117.500 118.711 -1.211 1
1 243 . 8 1 1 A 24 24 LEU H H 54 8.160 7.878 0.282 1
1 244 . 8 1 1 A 24 24 LEU HA H 54 3.970 3.909 0.061 1
1 254 . 8 1 1 A 24 24 LEU C C 54 176.600 178.920 -2.320 1
1 255 . 8 1 1 A 24 24 LEU CA C 54 55.500 58.271 -2.771 1
1 256 . 8 1 1 A 24 24 LEU CB C 54 38.700 41.520 -2.820 1
1 260 . 8 1 1 A 24 24 LEU N N 54 118.900 118.880 0.020 1
1 261 . 8 1 1 A 25 25 PHE H H 55 8.200 8.744 -0.544 1
1 262 . 8 1 1 A 25 25 PHE HA H 55 4.240 4.142 0.098 1
1 267 . 8 1 1 A 25 25 PHE C C 55 176.300 178.100 -1.800 1
1 268 . 8 1 1 A 25 25 PHE CA C 55 58.500 61.530 -3.030 1
1 269 . 8 1 1 A 25 25 PHE CB C 55 36.300 39.138 -2.838 1
1 273 . 8 1 1 A 25 25 PHE N N 55 119.100 118.580 0.520 1
1 274 . 8 1 1 A 26 26 GLY H H 56 8.570 8.888 -0.318 1
1 275 . 8 1 1 A 26 26 GLY HA2 H 56 3.580 3.659 -0.079 1
1 276 . 8 1 1 A 26 26 GLY HA3 H 56 3.670 3.743 -0.073 1
1 277 . 8 1 1 A 26 26 GLY C C 56 172.200 175.938 -3.738 1
1 278 . 8 1 1 A 26 26 GLY CA C 56 44.900 47.047 -2.147 1
1 279 . 8 1 1 A 26 26 GLY N N 56 108.900 106.535 2.365 1
1 280 . 8 1 1 A 27 27 VAL H H 57 8.550 8.103 0.447 1
1 281 . 8 1 1 A 27 27 VAL HA H 57 3.640 3.610 0.030 1
1 289 . 8 1 1 A 27 27 VAL C C 57 175.000 177.765 -2.765 1
1 290 . 8 1 1 A 27 27 VAL CA C 57 63.800 65.940 -2.140 1
1 291 . 8 1 1 A 27 27 VAL CB C 57 29.000 31.577 -2.577 1
1 294 . 8 1 1 A 27 27 VAL N N 57 120.000 122.048 -2.048 1
1 295 . 8 1 1 A 28 28 ARG H H 58 8.030 7.981 0.049 1
1 296 . 8 1 1 A 28 28 ARG HA H 58 4.020 3.970 0.050 1
1 301 . 8 1 1 A 28 28 ARG C C 58 176.700 178.306 -1.606 1
1 302 . 8 1 1 A 28 28 ARG CA C 58 56.700 58.459 -1.759 1
1 303 . 8 1 1 A 28 28 ARG CB C 58 27.600 29.665 -2.065 1
1 306 . 8 1 1 A 28 28 ARG N N 58 118.300 120.625 -2.325 1
1 307 . 8 1 1 A 29 29 SER H H 59 8.020 7.740 0.280 1
1 308 . 8 1 1 A 29 29 SER HA H 59 4.280 3.707 0.573 1
1 310 . 8 1 1 A 29 29 SER C C 59 173.300 176.939 -3.639 1
1 311 . 8 1 1 A 29 29 SER CA C 59 58.200 61.113 -2.913 1
1 312 . 8 1 1 A 29 29 SER CB C 59 60.700 62.244 -1.544 1
1 313 . 8 1 1 A 29 29 SER N N 59 114.700 115.194 -0.494 1
1 314 . 8 1 1 A 30 30 GLY H H 60 8.310 8.067 0.243 1
1 315 . 8 1 1 A 30 30 GLY HA2 H 60 3.630 3.636 -0.006 1
1 316 . 8 1 1 A 30 30 GLY HA3 H 60 3.750 3.687 0.063 1
1 317 . 8 1 1 A 30 30 GLY C C 60 171.900 176.094 -4.194 1
1 318 . 8 1 1 A 30 30 GLY CA C 60 44.500 47.067 -2.567 1
1 319 . 8 1 1 A 30 30 GLY N N 60 109.700 109.686 0.014 1
1 320 . 8 1 1 A 31 31 ALA H H 61 8.330 7.843 0.487 1
1 321 . 8 1 1 A 31 31 ALA HA H 61 3.970 4.016 -0.046 1
1 325 . 8 1 1 A 31 31 ALA C C 61 177.200 179.752 -2.552 1
1 326 . 8 1 1 A 31 31 ALA CA C 61 52.900 54.685 -1.785 1
1 327 . 8 1 1 A 31 31 ALA CB C 61 15.500 18.413 -2.913 1
1 328 . 8 1 1 A 31 31 ALA N N 61 122.700 124.232 -1.532 1
1 329 . 8 1 1 A 32 32 ALA H H 62 7.860 8.240 -0.380 1
1 330 . 8 1 1 A 32 32 ALA HA H 62 4.120 4.034 0.086 1
1 334 . 8 1 1 A 32 32 ALA C C 62 177.400 180.048 -2.648 1
1 335 . 8 1 1 A 32 32 ALA CA C 62 52.200 54.902 -2.702 1
1 336 . 8 1 1 A 32 32 ALA CB C 62 15.600 18.230 -2.630 1
1 337 . 8 1 1 A 32 32 ALA N N 62 120.400 120.149 0.251 1
1 338 . 8 1 1 A 33 33 ALA H H 63 7.920 8.154 -0.234 1
1 339 . 8 1 1 A 33 33 ALA HA H 63 4.070 4.060 0.010 1
1 343 . 8 1 1 A 33 33 ALA C C 63 176.200 179.558 -3.358 1
1 344 . 8 1 1 A 33 33 ALA CA C 63 52.100 54.990 -2.890 1
1 345 . 8 1 1 A 33 33 ALA CB C 63 15.800 18.214 -2.414 1
1 346 . 8 1 1 A 33 33 ALA N N 63 120.100 120.644 -0.544 1
1 347 . 8 1 1 A 34 34 LEU H H 64 8.090 8.197 -0.107 1
1 348 . 8 1 1 A 34 34 LEU HA H 64 3.980 4.115 -0.135 1
1 358 . 8 1 1 A 34 34 LEU C C 64 175.900 178.784 -2.884 1
1 359 . 8 1 1 A 34 34 LEU CA C 64 55.500 57.557 -2.057 1
1 360 . 8 1 1 A 34 34 LEU CB C 64 39.100 41.620 -2.520 1
1 364 . 8 1 1 A 34 34 LEU N N 64 116.400 119.954 -3.554 1
1 365 . 8 1 1 A 35 35 THR H H 65 7.860 8.216 -0.356 1
1 366 . 8 1 1 A 35 35 THR HA H 65 3.770 3.976 -0.206 1
1 371 . 8 1 1 A 35 35 THR C C 65 173.100 176.549 -3.449 1
1 372 . 8 1 1 A 35 35 THR CA C 65 64.600 65.345 -0.745 1
1 373 . 8 1 1 A 35 35 THR CB C 65 66.000 68.860 -2.860 1
1 375 . 8 1 1 A 35 35 THR N N 65 113.500 114.221 -0.721 1
1 376 . 8 1 1 A 36 36 LEU H H 66 7.430 7.830 -0.400 1
1 377 . 8 1 1 A 36 36 LEU HA H 66 4.000 4.160 -0.160 1
1 387 . 8 1 1 A 36 36 LEU C C 66 176.800 178.891 -2.091 1
1 388 . 8 1 1 A 36 36 LEU CA C 66 55.500 58.130 -2.630 1
1 389 . 8 1 1 A 36 36 LEU CB C 66 39.200 41.474 -2.274 1
1 393 . 8 1 1 A 36 36 LEU N N 66 120.200 119.815 0.385 1
1 394 . 8 1 1 A 37 37 ILE H H 67 7.750 8.252 -0.502 1
1 395 . 8 1 1 A 37 37 ILE HA H 67 3.800 3.862 -0.062 1
1 405 . 8 1 1 A 37 37 ILE C C 67 175.000 177.904 -2.904 1
1 406 . 8 1 1 A 37 37 ILE CA C 67 62.600 65.138 -2.538 1
1 407 . 8 1 1 A 37 37 ILE CB C 67 35.300 37.800 -2.500 1
1 411 . 8 1 1 A 37 37 ILE N N 67 119.600 120.044 -0.444 1
1 412 . 8 1 1 A 38 38 VAL H H 68 8.250 8.196 0.054 1
1 413 . 8 1 1 A 38 38 VAL HA H 68 3.590 3.818 -0.228 1
1 421 . 8 1 1 A 38 38 VAL C C 68 176.600 177.991 -1.391 1
1 422 . 8 1 1 A 38 38 VAL CA C 68 65.000 65.641 -0.641 1
1 423 . 8 1 1 A 38 38 VAL CB C 68 28.900 31.528 -2.628 1
1 426 . 8 1 1 A 38 38 VAL N N 68 119.600 116.448 3.152 1
1 427 . 8 1 1 A 39 39 VAL H H 69 8.370 8.359 0.011 1
1 428 . 8 1 1 A 39 39 VAL HA H 69 3.620 3.787 -0.167 1
1 436 . 8 1 1 A 39 39 VAL C C 69 175.800 177.880 -2.080 1
1 437 . 8 1 1 A 39 39 VAL CA C 69 64.200 64.970 -0.770 1
1 438 . 8 1 1 A 39 39 VAL CB C 69 28.900 31.522 -2.622 1
1 441 . 8 1 1 A 39 39 VAL N N 69 121.700 122.766 -1.066 1
1 442 . 8 1 1 A 40 40 TRP H H 70 8.320 8.393 -0.073 1
1 443 . 8 1 1 A 40 40 TRP HA H 70 4.150 4.293 -0.143 1
1 449 . 8 1 1 A 40 40 TRP C C 70 176.600 178.398 -1.798 1
1 450 . 8 1 1 A 40 40 TRP CA C 70 59.700 61.365 -1.665 1
1 451 . 8 1 1 A 40 40 TRP CB C 70 26.400 29.619 -3.219 1
1 454 . 8 1 1 A 40 40 TRP N N 70 122.400 123.206 -0.806 1
1 456 . 8 1 1 A 41 41 ILE H H 71 8.780 7.987 0.793 1
1 457 . 8 1 1 A 41 41 ILE HA H 71 3.510 3.206 0.304 1
1 467 . 8 1 1 A 41 41 ILE C C 71 175.600 178.233 -2.633 1
1 468 . 8 1 1 A 41 41 ILE CA C 71 62.500 64.226 -1.726 1
1 469 . 8 1 1 A 41 41 ILE CB C 71 35.700 37.569 -1.869 1
1 473 . 8 1 1 A 41 41 ILE N N 71 117.500 120.782 -3.282 1
1 474 . 8 1 1 A 42 42 THR H H 72 8.280 8.171 0.109 1
1 475 . 8 1 1 A 42 42 THR HA H 72 4.000 3.853 0.147 1
1 480 . 8 1 1 A 42 42 THR C C 72 173.800 176.851 -3.051 1
1 481 . 8 1 1 A 42 42 THR CA C 72 62.500 65.569 -3.069 1
1 482 . 8 1 1 A 42 42 THR CB C 72 66.500 69.059 -2.559 1
1 484 . 8 1 1 A 42 42 THR N N 72 110.700 114.663 -3.963 1
1 485 . 8 1 1 A 43 43 SER H H 73 7.810 8.118 -0.308 1
1 486 . 8 1 1 A 43 43 SER HA H 73 4.320 4.433 -0.113 1
1 488 . 8 1 1 A 43 43 SER C C 73 172.800 173.870 -1.070 1
1 489 . 8 1 1 A 43 43 SER CA C 73 57.600 59.146 -1.546 1
1 490 . 8 1 1 A 43 43 SER CB C 73 60.900 63.686 -2.786 1
1 491 . 8 1 1 A 43 43 SER N N 73 115.900 115.166 0.734 1
1 492 . 8 1 1 A 44 44 ARG H H 74 7.490 7.545 -0.055 1
1 493 . 8 1 1 A 44 44 ARG HA H 74 4.120 3.978 0.142 1
1 500 . 8 1 1 A 44 44 ARG C C 74 174.200 175.335 -1.135 1
1 501 . 8 1 1 A 44 44 ARG CA C 74 53.600 56.706 -3.106 1
1 502 . 8 1 1 A 44 44 ARG CB C 74 27.700 27.628 0.072 1
1 505 . 8 1 1 A 44 44 ARG N N 74 120.100 118.276 1.824 1
1 506 . 8 1 1 A 45 45 SER H H 75 7.890 7.674 0.216 1
1 507 . 8 1 1 A 45 45 SER HA H 75 4.210 4.424 -0.214 1
1 509 . 8 1 1 A 45 45 SER C C 75 172.300 175.975 -3.675 1
1 510 . 8 1 1 A 45 45 SER CA C 75 56.800 59.159 -2.359 1
1 511 . 8 1 1 A 45 45 SER CB C 75 60.900 63.834 -2.934 1
1 512 . 8 1 1 A 45 45 SER N N 75 114.400 112.327 2.073 1
1 513 . 8 1 1 A 46 46 ARG H H 76 7.850 8.755 -0.905 1
1 514 . 8 1 1 A 46 46 ARG HA H 76 4.220 4.197 0.023 1
1 519 . 8 1 1 A 46 46 ARG C C 76 173.500 176.206 -2.706 1
1 520 . 8 1 1 A 46 46 ARG CA C 76 53.900 58.895 -4.995 1
1 521 . 8 1 1 A 46 46 ARG CB C 76 27.800 29.924 -2.124 1
1 524 . 8 1 1 A 46 46 ARG N N 76 120.600 122.990 -2.390 1
1 525 . 8 1 1 A 47 47 LYS H H 77 7.900 7.597 0.303 1
1 526 . 8 1 1 A 47 47 LYS HA H 77 4.320 4.641 -0.321 1
1 533 . 8 1 1 A 47 47 LYS C C 77 173.600 174.039 -0.439 1
1 534 . 8 1 1 A 47 47 LYS CA C 77 53.400 55.204 -1.804 1
1 535 . 8 1 1 A 47 47 LYS CB C 77 30.500 34.777 -4.277 1
1 539 . 8 1 1 A 47 47 LYS N N 77 119.100 115.973 3.127 1
1 540 . 8 1 1 A 48 48 THR H H 78 7.840 8.706 -0.866 1
1 541 . 8 1 1 A 48 48 THR HA H 78 4.390 4.936 -0.546 1
1 546 . 8 1 1 A 48 48 THR C C 78 174.000 171.983 2.017 1
1 547 . 8 1 1 A 48 48 THR CA C 78 59.500 58.209 1.291 1
1 548 . 8 1 1 A 48 48 THR CB C 78 66.600 69.999 -3.399 1
1 550 . 8 1 1 A 48 48 THR N N 78 116.200 111.235 4.965 1
1 551 . 8 1 1 A 49 49 PRO HA H 79 4.410 4.590 -0.180 1
1 557 . 8 1 1 A 49 49 PRO CA C 79 60.800 62.796 -1.996 1
1 558 . 8 1 1 A 49 49 PRO CB C 79 28.900 32.590 -3.690 1
1 561 . 8 1 1 A 50 50 ILE H H 80 7.850 8.580 -0.730 1
1 562 . 8 1 1 A 50 50 ILE HA H 80 3.880 3.785 0.095 1
1 572 . 8 1 1 A 50 50 ILE C C 80 173.500 177.704 -4.204 1
1 573 . 8 1 1 A 50 50 ILE CA C 80 59.800 64.348 -4.548 1
1 574 . 8 1 1 A 50 50 ILE CB C 80 35.600 37.719 -2.119 1
1 578 . 8 1 1 A 50 50 ILE N N 80 119.400 123.260 -3.860 1
1 579 . 8 1 1 A 51 51 PHE H H 81 7.730 8.582 -0.852 1
1 580 . 8 1 1 A 51 51 PHE HA H 81 4.500 4.101 0.399 1
1 585 . 8 1 1 A 51 51 PHE CA C 81 56.200 61.571 -5.371 1
1 586 . 8 1 1 A 51 51 PHE CB C 81 36.500 39.032 -2.532 1
1 590 . 8 1 1 A 51 51 PHE N N 81 118.900 123.621 -4.721 1
1 591 . 8 1 1 A 52 52 ILE H H 82 7.420 8.156 -0.736 1
1 592 . 8 1 1 A 52 52 ILE HA H 82 3.880 3.576 0.304 1
1 602 . 8 1 1 A 52 52 ILE C C 82 173.800 178.034 -4.234 1
1 603 . 8 1 1 A 52 52 ILE CA C 82 59.700 65.123 -5.423 1
1 604 . 8 1 1 A 52 52 ILE CB C 82 35.400 38.082 -2.682 1
1 608 . 8 1 1 A 52 52 ILE N N 82 118.000 120.139 -2.139 1
1 609 . 8 1 1 A 53 53 ILE H H 83 7.540 8.016 -0.476 1
1 610 . 8 1 1 A 53 53 ILE HA H 83 3.890 3.437 0.453 1
1 620 . 8 1 1 A 53 53 ILE C C 83 174.300 178.177 -3.877 1
1 621 . 8 1 1 A 53 53 ILE CA C 83 59.800 65.275 -5.475 1
1 622 . 8 1 1 A 53 53 ILE CB C 83 35.600 37.689 -2.089 1
1 626 . 8 1 1 A 53 53 ILE N N 83 119.300 119.941 -0.641 1
1 627 . 8 1 1 A 54 54 ASN H H 84 8.030 8.496 -0.466 1
1 628 . 8 1 1 A 54 54 ASN HA H 84 4.620 4.244 0.376 1
1 631 . 8 1 1 A 54 54 ASN CA C 84 51.500 56.895 -5.395 1
1 632 . 8 1 1 A 54 54 ASN CB C 84 36.500 39.620 -3.120 1
1 633 . 8 1 1 A 54 54 ASN N N 84 118.300 119.269 -0.969 1
1 634 . 8 1 1 A 55 55 GLN H H 85 8.040 7.783 0.257 1
1 635 . 8 1 1 A 55 55 GLN HA H 85 4.210 3.656 0.554 1
1 639 . 8 1 1 A 55 55 GLN CA C 85 54.400 58.969 -4.569 1
1 640 . 8 1 1 A 55 55 GLN CB C 85 25.600 28.145 -2.545 1
1 642 . 8 1 1 A 56 56 VAL H H 86 7.720 8.234 -0.514 1
1 643 . 8 1 1 A 56 56 VAL HA H 86 3.800 3.711 0.089 1
1 651 . 8 1 1 A 56 56 VAL C C 86 174.200 178.122 -3.922 1
1 652 . 8 1 1 A 56 56 VAL CA C 86 62.700 66.964 -4.264 1
1 653 . 8 1 1 A 56 56 VAL CB C 86 29.100 31.589 -2.489 1
1 656 . 8 1 1 A 56 56 VAL N N 86 118.700 120.737 -2.037 1
1 657 . 8 1 1 A 57 57 SER H H 87 8.080 8.086 -0.006 1
1 658 . 8 1 1 A 57 57 SER HA H 87 4.200 4.072 0.128 1
1 660 . 8 1 1 A 57 57 SER C C 87 173.800 176.133 -2.333 1
1 661 . 8 1 1 A 57 57 SER CA C 87 58.400 62.155 -3.755 1
1 662 . 8 1 1 A 57 57 SER CB C 87 60.000 62.959 -2.959 1
1 663 . 8 1 1 A 57 57 SER N N 87 115.300 116.381 -1.081 1
1 664 . 8 1 1 A 58 58 LEU H H 88 7.780 8.212 -0.432 1
1 665 . 8 1 1 A 58 58 LEU HA H 88 4.060 3.854 0.206 1
1 675 . 8 1 1 A 58 58 LEU CA C 88 55.300 57.777 -2.477 1
1 676 . 8 1 1 A 58 58 LEU CB C 88 39.200 41.797 -2.597 1
1 680 . 8 1 1 A 58 58 LEU N N 88 121.900 121.162 0.738 1
1 681 . 8 1 1 A 59 59 PHE H H 89 7.980 8.525 -0.545 1
1 682 . 8 1 1 A 59 59 PHE HA H 89 4.190 4.287 -0.097 1
1 687 . 8 1 1 A 59 59 PHE C C 89 174.600 178.089 -3.489 1
1 688 . 8 1 1 A 59 59 PHE CA C 89 58.300 60.544 -2.244 1
1 689 . 8 1 1 A 59 59 PHE CB C 89 35.900 38.807 -2.907 1
1 693 . 8 1 1 A 59 59 PHE N N 89 117.100 117.330 -0.230 1
1 694 . 8 1 1 A 60 60 LEU H H 90 8.010 8.832 -0.822 1
1 695 . 8 1 1 A 60 60 LEU HA H 90 3.870 3.897 -0.027 1
1 705 . 8 1 1 A 60 60 LEU C C 90 176.800 179.371 -2.571 1
1 706 . 8 1 1 A 60 60 LEU CA C 90 55.400 58.444 -3.044 1
1 707 . 8 1 1 A 60 60 LEU CB C 90 38.900 42.064 -3.164 1
1 711 . 8 1 1 A 60 60 LEU N N 90 117.700 119.671 -1.971 1
1 712 . 8 1 1 A 61 61 ILE H H 91 7.910 8.057 -0.147 1
1 713 . 8 1 1 A 61 61 ILE HA H 91 3.790 3.579 0.211 1
1 723 . 8 1 1 A 61 61 ILE CA C 91 62.500 65.547 -3.047 1
1 724 . 8 1 1 A 61 61 ILE CB C 91 35.400 37.695 -2.295 1
1 728 . 8 1 1 A 61 61 ILE N N 91 118.400 118.467 -0.067 1
1 729 . 8 1 1 A 62 62 ILE H H 92 7.930 8.528 -0.598 1
1 730 . 8 1 1 A 62 62 ILE HA H 92 3.620 3.583 0.037 1
1 740 . 8 1 1 A 62 62 ILE C C 92 175.000 178.396 -3.396 1
1 741 . 8 1 1 A 62 62 ILE CA C 92 62.800 65.592 -2.792 1
1 742 . 8 1 1 A 62 62 ILE CB C 92 34.600 37.901 -3.301 1
1 746 . 8 1 1 A 62 62 ILE N N 92 121.800 120.540 1.260 1
1 747 . 8 1 1 A 63 63 LEU H H 93 8.250 8.732 -0.482 1
1 748 . 8 1 1 A 63 63 LEU HA H 93 3.880 3.979 -0.099 1
1 758 . 8 1 1 A 63 63 LEU C C 93 175.900 179.061 -3.161 1
1 759 . 8 1 1 A 63 63 LEU CA C 93 55.800 58.413 -2.613 1
1 760 . 8 1 1 A 63 63 LEU CB C 93 39.100 41.996 -2.896 1
1 764 . 8 1 1 A 63 63 LEU N N 93 119.800 119.584 0.216 1
1 765 . 8 1 1 A 64 64 HIS H H 94 8.330 8.693 -0.363 1
1 766 . 8 1 1 A 64 64 HIS HA H 94 4.290 4.156 0.134 1
1 770 . 8 1 1 A 64 64 HIS C C 94 175.200 176.713 -1.513 1
1 771 . 8 1 1 A 64 64 HIS CA C 94 56.000 60.007 -4.007 1
1 772 . 8 1 1 A 64 64 HIS CB C 94 25.900 29.442 -3.542 1
1 775 . 8 1 1 A 64 64 HIS N N 94 114.700 118.561 -3.861 1
1 776 . 8 1 1 A 65 65 SER H H 95 8.150 8.641 -0.491 1
1 777 . 8 1 1 A 65 65 SER HA H 95 4.250 3.982 0.268 1
1 779 . 8 1 1 A 65 65 SER C C 95 172.500 177.351 -4.851 1
1 780 . 8 1 1 A 65 65 SER CA C 95 59.900 61.911 -2.011 1
1 781 . 8 1 1 A 65 65 SER CB C 95 60.500 63.108 -2.608 1
1 782 . 8 1 1 A 65 65 SER N N 95 116.200 114.163 2.037 1
1 783 . 8 1 1 A 66 66 ALA H H 96 8.220 8.400 -0.180 1
1 784 . 8 1 1 A 66 66 ALA HA H 96 4.080 4.471 -0.391 1
1 788 . 8 1 1 A 66 66 ALA C C 96 176.400 180.064 -3.664 1
1 789 . 8 1 1 A 66 66 ALA CA C 96 52.600 55.157 -2.557 1
1 790 . 8 1 1 A 66 66 ALA CB C 96 15.600 18.110 -2.510 1
1 791 . 8 1 1 A 66 66 ALA N N 96 123.500 123.213 0.287 1
1 792 . 8 1 1 A 67 67 LEU H H 97 7.870 8.655 -0.785 1
1 793 . 8 1 1 A 67 67 LEU HA H 97 3.980 3.990 -0.010 1
1 803 . 8 1 1 A 67 67 LEU C C 97 176.700 179.017 -2.317 1
1 804 . 8 1 1 A 67 67 LEU CA C 97 55.000 57.918 -2.918 1
1 805 . 8 1 1 A 67 67 LEU CB C 97 38.700 42.327 -3.627 1
1 809 . 8 1 1 A 67 67 LEU N N 97 115.800 119.182 -3.382 1
1 810 . 8 1 1 A 68 68 TYR H H 98 7.830 8.682 -0.852 1
1 811 . 8 1 1 A 68 68 TYR HA H 98 4.320 4.277 0.043 1
1 816 . 8 1 1 A 68 68 TYR C C 98 174.900 177.513 -2.613 1
1 817 . 8 1 1 A 68 68 TYR CA C 98 58.200 62.084 -3.884 1
1 818 . 8 1 1 A 68 68 TYR CB C 98 35.500 38.777 -3.277 1
1 821 . 8 1 1 A 68 68 TYR N N 98 120.300 119.298 1.002 1
1 822 . 8 1 1 A 69 69 PHE H H 99 8.110 8.640 -0.530 1
1 823 . 8 1 1 A 69 69 PHE HA H 99 4.200 4.317 -0.117 1
1 828 . 8 1 1 A 69 69 PHE C C 99 173.600 177.317 -3.717 1
1 829 . 8 1 1 A 69 69 PHE CA C 99 58.400 61.691 -3.291 1
1 830 . 8 1 1 A 69 69 PHE CB C 99 36.100 39.488 -3.388 1
1 834 . 8 1 1 A 69 69 PHE N N 99 117.600 121.321 -3.721 1
1 835 . 8 1 1 A 70 70 LYS H H 100 8.030 8.250 -0.220 1
1 836 . 8 1 1 A 70 70 LYS HA H 100 3.800 3.709 0.091 1
1 843 . 8 1 1 A 70 70 LYS C C 100 175.700 177.820 -2.120 1
1 844 . 8 1 1 A 70 70 LYS CA C 100 57.300 58.864 -1.564 1
1 845 . 8 1 1 A 70 70 LYS CB C 100 29.500 32.035 -2.535 1
1 849 . 8 1 1 A 70 70 LYS N N 100 118.300 118.367 -0.067 1
1 850 . 8 1 1 A 71 71 TYR H H 101 7.720 8.189 -0.469 1
1 851 . 8 1 1 A 71 71 TYR HA H 101 4.210 4.058 0.152 1
1 856 . 8 1 1 A 71 71 TYR C C 101 175.300 177.083 -1.783 1
1 857 . 8 1 1 A 71 71 TYR CA C 101 57.800 60.856 -3.056 1
1 858 . 8 1 1 A 71 71 TYR CB C 101 34.700 38.773 -4.073 1
1 861 . 8 1 1 A 71 71 TYR N N 101 119.600 120.200 -0.600 1
1 862 . 8 1 1 A 72 72 LEU H H 102 7.950 8.068 -0.118 1
1 863 . 8 1 1 A 72 72 LEU HA H 102 3.800 3.768 0.032 1
1 870 . 8 1 1 A 72 72 LEU C C 102 176.300 179.535 -3.235 1
1 871 . 8 1 1 A 72 72 LEU CA C 102 55.100 57.551 -2.451 1
1 872 . 8 1 1 A 72 72 LEU CB C 102 39.500 41.736 -2.236 1
1 876 . 8 1 1 A 72 72 LEU N N 102 121.000 120.134 0.866 1
1 877 . 8 1 1 A 73 73 LEU H H 103 7.870 7.962 -0.092 1
1 878 . 8 1 1 A 73 73 LEU HA H 103 4.030 4.182 -0.152 1
1 888 . 8 1 1 A 73 73 LEU C C 103 176.200 178.429 -2.229 1
1 889 . 8 1 1 A 73 73 LEU CA C 103 54.500 58.141 -3.641 1
1 890 . 8 1 1 A 73 73 LEU CB C 103 39.200 41.065 -1.865 1
1 894 . 8 1 1 A 73 73 LEU N N 103 116.900 118.393 -1.493 1
1 895 . 8 1 1 A 74 74 SER H H 104 7.780 8.457 -0.677 1
1 896 . 8 1 1 A 74 74 SER HA H 104 4.230 4.083 0.147 1
1 898 . 8 1 1 A 74 74 SER C C 104 172.800 176.645 -3.845 1
1 899 . 8 1 1 A 74 74 SER CA C 104 57.900 61.307 -3.407 1
1 900 . 8 1 1 A 74 74 SER CB C 104 60.800 62.225 -1.425 1
1 901 . 8 1 1 A 74 74 SER N N 104 113.200 114.215 -1.015 1
1 902 . 8 1 1 A 75 75 ASN H H 105 7.720 7.765 -0.045 1
1 903 . 8 1 1 A 75 75 ASN HA H 105 4.530 4.322 0.208 1
1 906 . 8 1 1 A 75 75 ASN C C 105 173.100 177.281 -4.181 1
1 907 . 8 1 1 A 75 75 ASN CA C 105 51.800 55.928 -4.128 1
1 908 . 8 1 1 A 75 75 ASN CB C 105 36.600 38.329 -1.729 1
1 909 . 8 1 1 A 75 75 ASN N N 105 118.400 120.379 -1.979 1
1 910 . 8 1 1 A 76 76 TYR H H 106 7.720 7.484 0.236 1
1 911 . 8 1 1 A 76 76 TYR HA H 106 4.380 4.385 -0.005 1
1 916 . 8 1 1 A 76 76 TYR C C 106 173.000 176.357 -3.357 1
1 917 . 8 1 1 A 76 76 TYR CA C 106 56.700 59.239 -2.539 1
1 918 . 8 1 1 A 76 76 TYR CB C 106 36.100 38.140 -2.040 1
1 921 . 8 1 1 A 76 76 TYR N N 106 118.900 118.401 0.499 1
1 922 . 8 1 1 A 77 77 SER H H 107 7.650 8.011 -0.361 1
1 923 . 8 1 1 A 77 77 SER HA H 107 4.330 4.706 -0.376 1
1 926 . 8 1 1 A 77 77 SER C C 107 171.800 172.121 -0.321 1
1 927 . 8 1 1 A 77 77 SER CA C 107 55.800 57.085 -1.285 1
1 928 . 8 1 1 A 77 77 SER CB C 107 61.400 65.229 -3.829 1
1 929 . 8 1 1 A 77 77 SER N N 107 114.300 112.024 2.276 1
1 930 . 8 1 1 A 78 78 SER H H 108 7.940 8.688 -0.748 1
1 931 . 8 1 1 A 78 78 SER HA H 108 4.440 4.971 -0.531 1
1 933 . 8 1 1 A 78 78 SER C C 108 171.900 172.796 -0.896 1
1 934 . 8 1 1 A 78 78 SER CA C 108 55.800 56.802 -1.002 1
1 935 . 8 1 1 A 78 78 SER CB C 108 61.200 64.509 -3.309 1
1 936 . 8 1 1 A 78 78 SER N N 108 116.600 119.240 -2.640 1
1 937 . 8 1 1 A 79 79 VAL H H 109 7.850 8.563 -0.713 1
1 938 . 8 1 1 A 79 79 VAL HA H 109 4.170 4.640 -0.470 1
1 943 . 8 1 1 A 79 79 VAL C C 109 172.900 173.979 -1.079 1
1 944 . 8 1 1 A 79 79 VAL CA C 109 59.900 60.514 -0.614 1
1 945 . 8 1 1 A 79 79 VAL CB C 109 29.900 34.469 -4.569 1
1 948 . 8 1 1 A 79 79 VAL N N 109 120.200 125.734 -5.534 1
1 3 . 9 1 1 A 2 2 ASN HA H 32 4.710 5.334 -0.624 1
1 6 . 9 1 1 A 2 2 ASN CA C 32 50.800 52.003 -1.203 1
1 7 . 9 1 1 A 2 2 ASN CB C 32 36.400 42.809 -6.409 1
1 8 . 9 1 1 A 3 3 GLY H H 33 8.470 8.384 0.086 1
1 9 . 9 1 1 A 3 3 GLY HA2 H 33 3.890 4.148 -0.258 1
1 10 . 9 1 1 A 3 3 GLY HA3 H 33 3.990 4.151 -0.161 1
1 11 . 9 1 1 A 3 3 GLY C C 33 171.500 171.449 0.051 1
1 12 . 9 1 1 A 3 3 GLY CA C 33 42.900 45.645 -2.745 1
1 13 . 9 1 1 A 3 3 GLY N N 33 109.300 108.255 1.045 1
1 14 . 9 1 1 A 4 4 SER H H 34 8.020 8.771 -0.751 1
1 15 . 9 1 1 A 4 4 SER HA H 34 4.480 4.929 -0.449 1
1 17 . 9 1 1 A 4 4 SER C C 34 171.700 173.634 -1.934 1
1 18 . 9 1 1 A 4 4 SER CA C 34 55.600 56.520 -0.920 1
1 19 . 9 1 1 A 4 4 SER CB C 34 61.400 66.504 -5.104 1
1 20 . 9 1 1 A 4 4 SER N N 34 115.200 114.681 0.519 1
1 21 . 9 1 1 A 5 5 THR H H 35 8.030 8.948 -0.918 1
1 22 . 9 1 1 A 5 5 THR HA H 35 4.300 3.909 0.391 1
1 27 . 9 1 1 A 5 5 THR C C 35 171.400 173.843 -2.443 1
1 28 . 9 1 1 A 5 5 THR CA C 35 59.500 62.924 -3.424 1
1 29 . 9 1 1 A 5 5 THR CB C 35 67.200 67.902 -0.702 1
1 31 . 9 1 1 A 5 5 THR N N 35 115.600 119.742 -4.142 1
1 32 . 9 1 1 A 6 6 ILE H H 36 7.850 7.801 0.049 1
1 33 . 9 1 1 A 6 6 ILE HA H 36 4.260 4.080 0.180 1
1 43 . 9 1 1 A 6 6 ILE C C 36 171.900 176.109 -4.209 1
1 44 . 9 1 1 A 6 6 ILE CA C 36 58.200 61.587 -3.387 1
1 45 . 9 1 1 A 6 6 ILE CB C 36 36.500 38.611 -2.111 1
1 49 . 9 1 1 A 6 6 ILE N N 36 122.000 122.449 -0.449 1
1 50 . 9 1 1 A 7 7 THR H H 37 7.680 8.210 -0.530 1
1 51 . 9 1 1 A 7 7 THR HA H 37 4.570 4.383 0.187 1
1 56 . 9 1 1 A 7 7 THR C C 37 172.800 176.094 -3.294 1
1 57 . 9 1 1 A 7 7 THR CA C 37 57.400 61.836 -4.436 1
1 58 . 9 1 1 A 7 7 THR CB C 37 68.700 70.677 -1.977 1
1 60 . 9 1 1 A 7 7 THR N N 37 114.700 117.602 -2.902 1
1 61 . 9 1 1 A 8 8 PHE H H 38 8.830 9.058 -0.228 1
1 62 . 9 1 1 A 8 8 PHE HA H 38 4.250 4.336 -0.086 1
1 67 . 9 1 1 A 8 8 PHE C C 38 174.700 177.551 -2.851 1
1 68 . 9 1 1 A 8 8 PHE CA C 38 58.400 61.096 -2.696 1
1 69 . 9 1 1 A 8 8 PHE CB C 38 36.000 38.358 -2.358 1
1 73 . 9 1 1 A 8 8 PHE N N 38 120.900 122.100 -1.200 1
1 74 . 9 1 1 A 9 9 ASP H H 39 8.400 8.343 0.057 1
1 75 . 9 1 1 A 9 9 ASP HA H 39 4.280 4.377 -0.097 1
1 77 . 9 1 1 A 9 9 ASP C C 39 176.100 178.511 -2.411 1
1 78 . 9 1 1 A 9 9 ASP CA C 39 54.500 57.575 -3.075 1
1 79 . 9 1 1 A 9 9 ASP CB C 39 37.800 42.032 -4.232 1
1 80 . 9 1 1 A 9 9 ASP N N 39 117.400 121.104 -3.704 1
1 81 . 9 1 1 A 10 10 GLU H H 40 7.740 7.796 -0.056 1
1 82 . 9 1 1 A 10 10 GLU HA H 40 4.090 3.986 0.104 1
1 86 . 9 1 1 A 10 10 GLU C C 40 176.100 179.422 -3.322 1
1 87 . 9 1 1 A 10 10 GLU CA C 40 55.700 59.223 -3.523 1
1 88 . 9 1 1 A 10 10 GLU CB C 40 26.800 29.357 -2.557 1
1 90 . 9 1 1 A 10 10 GLU N N 40 118.800 118.937 -0.137 1
1 91 . 9 1 1 A 11 11 LEU H H 41 7.770 8.164 -0.394 1
1 92 . 9 1 1 A 11 11 LEU HA H 41 4.040 3.989 0.051 1
1 102 . 9 1 1 A 11 11 LEU C C 41 175.500 179.169 -3.669 1
1 103 . 9 1 1 A 11 11 LEU CA C 41 54.600 58.033 -3.433 1
1 104 . 9 1 1 A 11 11 LEU CB C 41 39.200 41.557 -2.357 1
1 108 . 9 1 1 A 11 11 LEU N N 41 119.500 120.362 -0.862 1
1 109 . 9 1 1 A 12 12 GLN H H 42 8.070 8.391 -0.321 1
1 110 . 9 1 1 A 12 12 GLN HA H 42 3.770 4.040 -0.270 1
1 114 . 9 1 1 A 12 12 GLN C C 42 175.400 179.302 -3.902 1
1 115 . 9 1 1 A 12 12 GLN CA C 42 56.500 58.861 -2.361 1
1 116 . 9 1 1 A 12 12 GLN CB C 42 25.800 28.557 -2.757 1
1 118 . 9 1 1 A 12 12 GLN N N 42 116.800 117.774 -0.974 1
1 119 . 9 1 1 A 13 13 GLY H H 43 7.810 8.339 -0.529 1
1 120 . 9 1 1 A 13 13 GLY HA2 H 43 3.850 3.701 0.149 1
1 121 . 9 1 1 A 13 13 GLY HA3 H 43 3.910 3.703 0.207 1
1 122 . 9 1 1 A 13 13 GLY C C 43 173.000 176.198 -3.198 1
1 123 . 9 1 1 A 13 13 GLY CA C 43 43.800 47.334 -3.534 1
1 124 . 9 1 1 A 13 13 GLY N N 43 105.400 108.778 -3.378 1
1 125 . 9 1 1 A 14 14 LEU H H 44 7.650 8.422 -0.772 1
1 126 . 9 1 1 A 14 14 LEU HA H 44 4.210 4.000 0.210 1
1 136 . 9 1 1 A 14 14 LEU C C 44 176.000 179.071 -3.071 1
1 137 . 9 1 1 A 14 14 LEU CA C 44 54.200 58.184 -3.984 1
1 138 . 9 1 1 A 14 14 LEU CB C 44 40.000 41.878 -1.878 1
1 142 . 9 1 1 A 14 14 LEU N N 44 120.900 123.217 -2.317 1
1 143 . 9 1 1 A 15 15 VAL H H 45 7.760 8.219 -0.459 1
1 144 . 9 1 1 A 15 15 VAL HA H 45 3.740 3.856 -0.116 1
1 152 . 9 1 1 A 15 15 VAL C C 45 173.100 177.503 -4.403 1
1 153 . 9 1 1 A 15 15 VAL CA C 45 61.800 64.844 -3.044 1
1 154 . 9 1 1 A 15 15 VAL CB C 45 29.100 31.476 -2.376 1
1 157 . 9 1 1 A 15 15 VAL N N 45 117.200 118.421 -1.221 1
1 158 . 9 1 1 A 16 16 ASN H H 46 7.820 8.054 -0.234 1
1 159 . 9 1 1 A 16 16 ASN HA H 46 4.600 4.558 0.042 1
1 161 . 9 1 1 A 16 16 ASN CA C 46 51.400 56.079 -4.679 1
1 162 . 9 1 1 A 16 16 ASN CB C 46 36.000 39.280 -3.280 1
1 163 . 9 1 1 A 16 16 ASN N N 46 118.400 120.910 -2.510 1
1 164 . 9 1 1 A 17 17 SER H H 47 8.160 7.646 0.514 1
1 165 . 9 1 1 A 17 17 SER HA H 47 4.380 4.756 -0.376 1
1 168 . 9 1 1 A 17 17 SER CA C 47 57.900 57.353 0.547 1
1 169 . 9 1 1 A 17 17 SER CB C 47 61.000 63.691 -2.691 1
1 170 . 9 1 1 A 18 18 THR H H 48 8.130 7.958 0.172 1
1 171 . 9 1 1 A 18 18 THR HA H 48 3.990 4.550 -0.560 1
1 176 . 9 1 1 A 18 18 THR C C 48 173.800 175.111 -1.311 1
1 177 . 9 1 1 A 18 18 THR CA C 48 63.500 64.001 -0.501 1
1 178 . 9 1 1 A 18 18 THR CB C 48 66.000 70.303 -4.303 1
1 180 . 9 1 1 A 18 18 THR N N 48 118.300 115.022 3.278 1
1 181 . 9 1 1 A 19 19 VAL H H 49 8.100 8.464 -0.364 1
1 182 . 9 1 1 A 19 19 VAL HA H 49 3.640 3.707 -0.067 1
1 190 . 9 1 1 A 19 19 VAL C C 49 174.700 177.828 -3.128 1
1 191 . 9 1 1 A 19 19 VAL CA C 49 64.000 65.585 -1.585 1
1 192 . 9 1 1 A 19 19 VAL CB C 49 29.000 31.142 -2.142 1
1 195 . 9 1 1 A 19 19 VAL N N 49 120.800 120.528 0.272 1
1 196 . 9 1 1 A 20 20 THR H H 50 7.830 8.202 -0.372 1
1 197 . 9 1 1 A 20 20 THR HA H 50 3.740 3.906 -0.166 1
1 202 . 9 1 1 A 20 20 THR C C 50 173.800 176.934 -3.134 1
1 203 . 9 1 1 A 20 20 THR CA C 50 64.400 65.292 -0.892 1
1 204 . 9 1 1 A 20 20 THR CB C 50 65.500 68.667 -3.167 1
1 206 . 9 1 1 A 20 20 THR N N 50 114.000 116.073 -2.073 1
1 207 . 9 1 1 A 21 21 GLN H H 51 7.920 8.099 -0.179 1
1 208 . 9 1 1 A 21 21 GLN HA H 51 3.970 4.110 -0.140 1
1 211 . 9 1 1 A 21 21 GLN C C 51 175.900 178.205 -2.305 1
1 212 . 9 1 1 A 21 21 GLN CA C 51 56.300 58.652 -2.352 1
1 213 . 9 1 1 A 21 21 GLN CB C 51 25.700 28.692 -2.992 1
1 215 . 9 1 1 A 21 21 GLN N N 51 118.400 120.799 -2.399 1
1 216 . 9 1 1 A 22 22 ALA H H 52 7.960 7.761 0.199 1
1 217 . 9 1 1 A 22 22 ALA HA H 52 4.160 4.118 0.042 1
1 221 . 9 1 1 A 22 22 ALA C C 52 176.800 180.085 -3.285 1
1 222 . 9 1 1 A 22 22 ALA CA C 52 52.800 55.235 -2.435 1
1 223 . 9 1 1 A 22 22 ALA CB C 52 15.700 18.405 -2.705 1
1 224 . 9 1 1 A 22 22 ALA N N 52 122.200 122.091 0.109 1
1 225 . 9 1 1 A 23 23 ILE H H 53 8.100 8.070 0.030 1
1 226 . 9 1 1 A 23 23 ILE HA H 53 3.660 3.675 -0.015 1
1 236 . 9 1 1 A 23 23 ILE C C 53 175.300 178.327 -3.027 1
1 237 . 9 1 1 A 23 23 ILE CA C 53 62.700 65.394 -2.694 1
1 238 . 9 1 1 A 23 23 ILE CB C 53 35.100 38.087 -2.987 1
1 242 . 9 1 1 A 23 23 ILE N N 53 117.500 118.561 -1.061 1
1 243 . 9 1 1 A 24 24 LEU H H 54 8.160 7.908 0.252 1
1 244 . 9 1 1 A 24 24 LEU HA H 54 3.970 3.929 0.041 1
1 254 . 9 1 1 A 24 24 LEU C C 54 176.600 178.879 -2.279 1
1 255 . 9 1 1 A 24 24 LEU CA C 54 55.500 58.253 -2.753 1
1 256 . 9 1 1 A 24 24 LEU CB C 54 38.700 41.575 -2.875 1
1 260 . 9 1 1 A 24 24 LEU N N 54 118.900 118.829 0.071 1
1 261 . 9 1 1 A 25 25 PHE H H 55 8.200 8.687 -0.487 1
1 262 . 9 1 1 A 25 25 PHE HA H 55 4.240 4.141 0.099 1
1 267 . 9 1 1 A 25 25 PHE C C 55 176.300 178.082 -1.782 1
1 268 . 9 1 1 A 25 25 PHE CA C 55 58.500 61.396 -2.896 1
1 269 . 9 1 1 A 25 25 PHE CB C 55 36.300 38.998 -2.698 1
1 273 . 9 1 1 A 25 25 PHE N N 55 119.100 118.650 0.450 1
1 274 . 9 1 1 A 26 26 GLY H H 56 8.570 8.961 -0.391 1
1 275 . 9 1 1 A 26 26 GLY HA2 H 56 3.580 3.813 -0.233 1
1 276 . 9 1 1 A 26 26 GLY HA3 H 56 3.670 3.866 -0.196 1
1 277 . 9 1 1 A 26 26 GLY C C 56 172.200 176.166 -3.966 1
1 278 . 9 1 1 A 26 26 GLY CA C 56 44.900 47.111 -2.211 1
1 279 . 9 1 1 A 26 26 GLY N N 56 108.900 106.712 2.188 1
1 280 . 9 1 1 A 27 27 VAL H H 57 8.550 7.989 0.561 1
1 281 . 9 1 1 A 27 27 VAL HA H 57 3.640 3.672 -0.032 1
1 289 . 9 1 1 A 27 27 VAL C C 57 175.000 177.761 -2.761 1
1 290 . 9 1 1 A 27 27 VAL CA C 57 63.800 65.964 -2.164 1
1 291 . 9 1 1 A 27 27 VAL CB C 57 29.000 31.556 -2.556 1
1 294 . 9 1 1 A 27 27 VAL N N 57 120.000 121.777 -1.777 1
1 295 . 9 1 1 A 28 28 ARG H H 58 8.030 8.040 -0.010 1
1 296 . 9 1 1 A 28 28 ARG HA H 58 4.020 4.027 -0.007 1
1 301 . 9 1 1 A 28 28 ARG C C 58 176.700 178.247 -1.547 1
1 302 . 9 1 1 A 28 28 ARG CA C 58 56.700 58.423 -1.723 1
1 303 . 9 1 1 A 28 28 ARG CB C 58 27.600 30.130 -2.530 1
1 306 . 9 1 1 A 28 28 ARG N N 58 118.300 120.845 -2.545 1
1 307 . 9 1 1 A 29 29 SER H H 59 8.020 7.929 0.091 1
1 308 . 9 1 1 A 29 29 SER HA H 59 4.280 4.078 0.202 1
1 310 . 9 1 1 A 29 29 SER C C 59 173.300 177.203 -3.903 1
1 311 . 9 1 1 A 29 29 SER CA C 59 58.200 61.303 -3.103 1
1 312 . 9 1 1 A 29 29 SER CB C 59 60.700 62.918 -2.218 1
1 313 . 9 1 1 A 29 29 SER N N 59 114.700 115.465 -0.765 1
1 314 . 9 1 1 A 30 30 GLY H H 60 8.310 8.599 -0.289 1
1 315 . 9 1 1 A 30 30 GLY HA2 H 60 3.630 3.772 -0.142 1
1 316 . 9 1 1 A 30 30 GLY HA3 H 60 3.750 3.782 -0.032 1
1 317 . 9 1 1 A 30 30 GLY C C 60 171.900 175.923 -4.023 1
1 318 . 9 1 1 A 30 30 GLY CA C 60 44.500 47.337 -2.837 1
1 319 . 9 1 1 A 30 30 GLY N N 60 109.700 110.018 -0.318 1
1 320 . 9 1 1 A 31 31 ALA H H 61 8.330 8.026 0.304 1
1 321 . 9 1 1 A 31 31 ALA HA H 61 3.970 4.066 -0.096 1
1 325 . 9 1 1 A 31 31 ALA C C 61 177.200 179.752 -2.552 1
1 326 . 9 1 1 A 31 31 ALA CA C 61 52.900 54.739 -1.839 1
1 327 . 9 1 1 A 31 31 ALA CB C 61 15.500 18.514 -3.014 1
1 328 . 9 1 1 A 31 31 ALA N N 61 122.700 124.701 -2.001 1
1 329 . 9 1 1 A 32 32 ALA H H 62 7.860 8.385 -0.525 1
1 330 . 9 1 1 A 32 32 ALA HA H 62 4.120 3.977 0.143 1
1 334 . 9 1 1 A 32 32 ALA C C 62 177.400 179.697 -2.297 1
1 335 . 9 1 1 A 32 32 ALA CA C 62 52.200 55.000 -2.800 1
1 336 . 9 1 1 A 32 32 ALA CB C 62 15.600 18.034 -2.434 1
1 337 . 9 1 1 A 32 32 ALA N N 62 120.400 120.036 0.364 1
1 338 . 9 1 1 A 33 33 ALA H H 63 7.920 8.296 -0.376 1
1 339 . 9 1 1 A 33 33 ALA HA H 63 4.070 4.106 -0.036 1
1 343 . 9 1 1 A 33 33 ALA C C 63 176.200 180.080 -3.880 1
1 344 . 9 1 1 A 33 33 ALA CA C 63 52.100 55.044 -2.944 1
1 345 . 9 1 1 A 33 33 ALA CB C 63 15.800 18.436 -2.636 1
1 346 . 9 1 1 A 33 33 ALA N N 63 120.100 120.741 -0.641 1
1 347 . 9 1 1 A 34 34 LEU H H 64 8.090 8.055 0.035 1
1 348 . 9 1 1 A 34 34 LEU HA H 64 3.980 4.113 -0.133 1
1 358 . 9 1 1 A 34 34 LEU C C 64 175.900 178.799 -2.899 1
1 359 . 9 1 1 A 34 34 LEU CA C 64 55.500 57.996 -2.496 1
1 360 . 9 1 1 A 34 34 LEU CB C 64 39.100 41.926 -2.826 1
1 364 . 9 1 1 A 34 34 LEU N N 64 116.400 120.195 -3.795 1
1 365 . 9 1 1 A 35 35 THR H H 65 7.860 8.231 -0.371 1
1 366 . 9 1 1 A 35 35 THR HA H 65 3.770 3.939 -0.169 1
1 371 . 9 1 1 A 35 35 THR C C 65 173.100 176.466 -3.366 1
1 372 . 9 1 1 A 35 35 THR CA C 65 64.600 65.328 -0.728 1
1 373 . 9 1 1 A 35 35 THR CB C 65 66.000 68.963 -2.963 1
1 375 . 9 1 1 A 35 35 THR N N 65 113.500 114.265 -0.765 1
1 376 . 9 1 1 A 36 36 LEU H H 66 7.430 7.658 -0.228 1
1 377 . 9 1 1 A 36 36 LEU HA H 66 4.000 4.143 -0.143 1
1 387 . 9 1 1 A 36 36 LEU C C 66 176.800 178.724 -1.924 1
1 388 . 9 1 1 A 36 36 LEU CA C 66 55.500 58.247 -2.747 1
1 389 . 9 1 1 A 36 36 LEU CB C 66 39.200 41.487 -2.287 1
1 393 . 9 1 1 A 36 36 LEU N N 66 120.200 119.715 0.485 1
1 394 . 9 1 1 A 37 37 ILE H H 67 7.750 7.973 -0.223 1
1 395 . 9 1 1 A 37 37 ILE HA H 67 3.800 3.666 0.134 1
1 405 . 9 1 1 A 37 37 ILE C C 67 175.000 178.128 -3.128 1
1 406 . 9 1 1 A 37 37 ILE CA C 67 62.600 65.538 -2.938 1
1 407 . 9 1 1 A 37 37 ILE CB C 67 35.300 37.550 -2.250 1
1 411 . 9 1 1 A 37 37 ILE N N 67 119.600 120.346 -0.746 1
1 412 . 9 1 1 A 38 38 VAL H H 68 8.250 8.041 0.209 1
1 413 . 9 1 1 A 38 38 VAL HA H 68 3.590 3.616 -0.026 1
1 421 . 9 1 1 A 38 38 VAL C C 68 176.600 177.841 -1.241 1
1 422 . 9 1 1 A 38 38 VAL CA C 68 65.000 66.749 -1.749 1
1 423 . 9 1 1 A 38 38 VAL CB C 68 28.900 31.672 -2.772 1
1 426 . 9 1 1 A 38 38 VAL N N 68 119.600 119.776 -0.176 1
1 427 . 9 1 1 A 39 39 VAL H H 69 8.370 8.480 -0.110 1
1 428 . 9 1 1 A 39 39 VAL HA H 69 3.620 3.695 -0.075 1
1 436 . 9 1 1 A 39 39 VAL C C 69 175.800 177.785 -1.985 1
1 437 . 9 1 1 A 39 39 VAL CA C 69 64.200 65.447 -1.247 1
1 438 . 9 1 1 A 39 39 VAL CB C 69 28.900 31.118 -2.218 1
1 441 . 9 1 1 A 39 39 VAL N N 69 121.700 119.922 1.778 1
1 442 . 9 1 1 A 40 40 TRP H H 70 8.320 7.993 0.327 1
1 443 . 9 1 1 A 40 40 TRP HA H 70 4.150 4.326 -0.176 1
1 449 . 9 1 1 A 40 40 TRP C C 70 176.600 178.228 -1.628 1
1 450 . 9 1 1 A 40 40 TRP CA C 70 59.700 59.929 -0.229 1
1 451 . 9 1 1 A 40 40 TRP CB C 70 26.400 29.890 -3.490 1
1 454 . 9 1 1 A 40 40 TRP N N 70 122.400 122.902 -0.502 1
1 456 . 9 1 1 A 41 41 ILE H H 71 8.780 8.306 0.474 1
1 457 . 9 1 1 A 41 41 ILE HA H 71 3.510 3.594 -0.084 1
1 467 . 9 1 1 A 41 41 ILE C C 71 175.600 177.820 -2.220 1
1 468 . 9 1 1 A 41 41 ILE CA C 71 62.500 63.940 -1.440 1
1 469 . 9 1 1 A 41 41 ILE CB C 71 35.700 37.903 -2.203 1
1 473 . 9 1 1 A 41 41 ILE N N 71 117.500 120.312 -2.812 1
1 474 . 9 1 1 A 42 42 THR H H 72 8.280 7.611 0.669 1
1 475 . 9 1 1 A 42 42 THR HA H 72 4.000 4.287 -0.287 1
1 480 . 9 1 1 A 42 42 THR C C 72 173.800 176.004 -2.204 1
1 481 . 9 1 1 A 42 42 THR CA C 72 62.500 65.012 -2.512 1
1 482 . 9 1 1 A 42 42 THR CB C 72 66.500 69.947 -3.447 1
1 484 . 9 1 1 A 42 42 THR N N 72 110.700 116.615 -5.915 1
1 485 . 9 1 1 A 43 43 SER H H 73 7.810 7.784 0.026 1
1 486 . 9 1 1 A 43 43 SER HA H 73 4.320 4.206 0.114 1
1 488 . 9 1 1 A 43 43 SER C C 73 172.800 173.996 -1.196 1
1 489 . 9 1 1 A 43 43 SER CA C 73 57.600 61.012 -3.412 1
1 490 . 9 1 1 A 43 43 SER CB C 73 60.900 63.355 -2.455 1
1 491 . 9 1 1 A 43 43 SER N N 73 115.900 115.218 0.682 1
1 492 . 9 1 1 A 44 44 ARG H H 74 7.490 7.546 -0.056 1
1 493 . 9 1 1 A 44 44 ARG HA H 74 4.120 3.777 0.343 1
1 500 . 9 1 1 A 44 44 ARG C C 74 174.200 175.154 -0.954 1
1 501 . 9 1 1 A 44 44 ARG CA C 74 53.600 57.143 -3.543 1
1 502 . 9 1 1 A 44 44 ARG CB C 74 27.700 27.259 0.441 1
1 505 . 9 1 1 A 44 44 ARG N N 74 120.100 118.903 1.197 1
1 506 . 9 1 1 A 45 45 SER H H 75 7.890 7.814 0.076 1
1 507 . 9 1 1 A 45 45 SER HA H 75 4.210 4.419 -0.209 1
1 509 . 9 1 1 A 45 45 SER C C 75 172.300 174.323 -2.023 1
1 510 . 9 1 1 A 45 45 SER CA C 75 56.800 58.913 -2.113 1
1 511 . 9 1 1 A 45 45 SER CB C 75 60.900 64.064 -3.164 1
1 512 . 9 1 1 A 45 45 SER N N 75 114.400 113.831 0.569 1
1 513 . 9 1 1 A 46 46 ARG H H 76 7.850 8.434 -0.584 1
1 514 . 9 1 1 A 46 46 ARG HA H 76 4.220 4.309 -0.089 1
1 519 . 9 1 1 A 46 46 ARG C C 76 173.500 176.513 -3.013 1
1 520 . 9 1 1 A 46 46 ARG CA C 76 53.900 56.217 -2.317 1
1 521 . 9 1 1 A 46 46 ARG CB C 76 27.800 29.750 -1.950 1
1 524 . 9 1 1 A 46 46 ARG N N 76 120.600 124.155 -3.555 1
1 525 . 9 1 1 A 47 47 LYS H H 77 7.900 8.156 -0.256 1
1 526 . 9 1 1 A 47 47 LYS HA H 77 4.320 4.809 -0.489 1
1 533 . 9 1 1 A 47 47 LYS C C 77 173.600 175.950 -2.350 1
1 534 . 9 1 1 A 47 47 LYS CA C 77 53.400 54.395 -0.995 1
1 535 . 9 1 1 A 47 47 LYS CB C 77 30.500 35.657 -5.157 1
1 539 . 9 1 1 A 47 47 LYS N N 77 119.100 124.281 -5.181 1
1 540 . 9 1 1 A 48 48 THR H H 78 7.840 8.469 -0.629 1
1 541 . 9 1 1 A 48 48 THR HA H 78 4.390 4.365 0.025 1
1 546 . 9 1 1 A 48 48 THR C C 78 174.000 174.065 -0.065 1
1 547 . 9 1 1 A 48 48 THR CA C 78 59.500 60.587 -1.087 1
1 548 . 9 1 1 A 48 48 THR CB C 78 66.600 68.753 -2.153 1
1 550 . 9 1 1 A 48 48 THR N N 78 116.200 115.044 1.156 1
1 551 . 9 1 1 A 49 49 PRO HA H 79 4.410 4.517 -0.107 1
1 557 . 9 1 1 A 49 49 PRO CA C 79 60.800 62.579 -1.779 1
1 558 . 9 1 1 A 49 49 PRO CB C 79 28.900 32.601 -3.701 1
1 561 . 9 1 1 A 50 50 ILE H H 80 7.850 8.532 -0.682 1
1 562 . 9 1 1 A 50 50 ILE HA H 80 3.880 3.511 0.369 1
1 572 . 9 1 1 A 50 50 ILE C C 80 173.500 177.163 -3.663 1
1 573 . 9 1 1 A 50 50 ILE CA C 80 59.800 64.197 -4.397 1
1 574 . 9 1 1 A 50 50 ILE CB C 80 35.600 37.509 -1.909 1
1 578 . 9 1 1 A 50 50 ILE N N 80 119.400 123.167 -3.767 1
1 579 . 9 1 1 A 51 51 PHE H H 81 7.730 8.105 -0.375 1
1 580 . 9 1 1 A 51 51 PHE HA H 81 4.500 4.314 0.186 1
1 585 . 9 1 1 A 51 51 PHE CA C 81 56.200 60.751 -4.551 1
1 586 . 9 1 1 A 51 51 PHE CB C 81 36.500 38.899 -2.399 1
1 590 . 9 1 1 A 51 51 PHE N N 81 118.900 120.336 -1.436 1
1 591 . 9 1 1 A 52 52 ILE H H 82 7.420 8.155 -0.735 1
1 592 . 9 1 1 A 52 52 ILE HA H 82 3.880 3.664 0.216 1
1 602 . 9 1 1 A 52 52 ILE C C 82 173.800 178.521 -4.721 1
1 603 . 9 1 1 A 52 52 ILE CA C 82 59.700 65.064 -5.364 1
1 604 . 9 1 1 A 52 52 ILE CB C 82 35.400 37.741 -2.341 1
1 608 . 9 1 1 A 52 52 ILE N N 82 118.000 119.530 -1.530 1
1 609 . 9 1 1 A 53 53 ILE H H 83 7.540 8.245 -0.705 1
1 610 . 9 1 1 A 53 53 ILE HA H 83 3.890 3.456 0.434 1
1 620 . 9 1 1 A 53 53 ILE C C 83 174.300 178.852 -4.552 1
1 621 . 9 1 1 A 53 53 ILE CA C 83 59.800 64.740 -4.940 1
1 622 . 9 1 1 A 53 53 ILE CB C 83 35.600 36.962 -1.362 1
1 626 . 9 1 1 A 53 53 ILE N N 83 119.300 121.398 -2.098 1
1 627 . 9 1 1 A 54 54 ASN H H 84 8.030 8.537 -0.507 1
1 628 . 9 1 1 A 54 54 ASN HA H 84 4.620 4.384 0.236 1
1 631 . 9 1 1 A 54 54 ASN CA C 84 51.500 56.702 -5.202 1
1 632 . 9 1 1 A 54 54 ASN CB C 84 36.500 38.869 -2.369 1
1 633 . 9 1 1 A 54 54 ASN N N 84 118.300 120.121 -1.821 1
1 634 . 9 1 1 A 55 55 GLN H H 85 8.040 8.263 -0.223 1
1 635 . 9 1 1 A 55 55 GLN HA H 85 4.210 4.130 0.080 1
1 639 . 9 1 1 A 55 55 GLN CA C 85 54.400 58.568 -4.168 1
1 640 . 9 1 1 A 55 55 GLN CB C 85 25.600 28.591 -2.991 1
1 642 . 9 1 1 A 56 56 VAL H H 86 7.720 7.887 -0.167 1
1 643 . 9 1 1 A 56 56 VAL HA H 86 3.800 3.954 -0.154 1
1 651 . 9 1 1 A 56 56 VAL C C 86 174.200 178.088 -3.888 1
1 652 . 9 1 1 A 56 56 VAL CA C 86 62.700 65.237 -2.537 1
1 653 . 9 1 1 A 56 56 VAL CB C 86 29.100 31.695 -2.595 1
1 656 . 9 1 1 A 56 56 VAL N N 86 118.700 116.025 2.675 1
1 657 . 9 1 1 A 57 57 SER H H 87 8.080 8.114 -0.034 1
1 658 . 9 1 1 A 57 57 SER HA H 87 4.200 4.083 0.117 1
1 660 . 9 1 1 A 57 57 SER C C 87 173.800 177.240 -3.440 1
1 661 . 9 1 1 A 57 57 SER CA C 87 58.400 61.745 -3.345 1
1 662 . 9 1 1 A 57 57 SER CB C 87 60.000 63.146 -3.146 1
1 663 . 9 1 1 A 57 57 SER N N 87 115.300 117.204 -1.904 1
1 664 . 9 1 1 A 58 58 LEU H H 88 7.780 8.333 -0.553 1
1 665 . 9 1 1 A 58 58 LEU HA H 88 4.060 3.941 0.119 1
1 675 . 9 1 1 A 58 58 LEU CA C 88 55.300 57.892 -2.592 1
1 676 . 9 1 1 A 58 58 LEU CB C 88 39.200 41.845 -2.645 1
1 680 . 9 1 1 A 58 58 LEU N N 88 121.900 121.979 -0.079 1
1 681 . 9 1 1 A 59 59 PHE H H 89 7.980 8.501 -0.521 1
1 682 . 9 1 1 A 59 59 PHE HA H 89 4.190 4.119 0.071 1
1 687 . 9 1 1 A 59 59 PHE C C 89 174.600 176.770 -2.170 1
1 688 . 9 1 1 A 59 59 PHE CA C 89 58.300 61.154 -2.854 1
1 689 . 9 1 1 A 59 59 PHE CB C 89 35.900 38.728 -2.828 1
1 693 . 9 1 1 A 59 59 PHE N N 89 117.100 119.149 -2.049 1
1 694 . 9 1 1 A 60 60 LEU H H 90 8.010 8.833 -0.823 1
1 695 . 9 1 1 A 60 60 LEU HA H 90 3.870 3.636 0.234 1
1 705 . 9 1 1 A 60 60 LEU C C 90 176.800 179.139 -2.339 1
1 706 . 9 1 1 A 60 60 LEU CA C 90 55.400 58.371 -2.971 1
1 707 . 9 1 1 A 60 60 LEU CB C 90 38.900 42.130 -3.230 1
1 711 . 9 1 1 A 60 60 LEU N N 90 117.700 119.692 -1.992 1
1 712 . 9 1 1 A 61 61 ILE H H 91 7.910 8.057 -0.147 1
1 713 . 9 1 1 A 61 61 ILE HA H 91 3.790 3.510 0.280 1
1 723 . 9 1 1 A 61 61 ILE CA C 91 62.500 65.327 -2.827 1
1 724 . 9 1 1 A 61 61 ILE CB C 91 35.400 37.865 -2.465 1
1 728 . 9 1 1 A 61 61 ILE N N 91 118.400 118.275 0.125 1
1 729 . 9 1 1 A 62 62 ILE H H 92 7.930 8.373 -0.443 1
1 730 . 9 1 1 A 62 62 ILE HA H 92 3.620 3.459 0.161 1
1 740 . 9 1 1 A 62 62 ILE C C 92 175.000 178.406 -3.406 1
1 741 . 9 1 1 A 62 62 ILE CA C 92 62.800 65.490 -2.690 1
1 742 . 9 1 1 A 62 62 ILE CB C 92 34.600 37.884 -3.284 1
1 746 . 9 1 1 A 62 62 ILE N N 92 121.800 120.078 1.722 1
1 747 . 9 1 1 A 63 63 LEU H H 93 8.250 8.230 0.020 1
1 748 . 9 1 1 A 63 63 LEU HA H 93 3.880 3.774 0.106 1
1 758 . 9 1 1 A 63 63 LEU C C 93 175.900 178.831 -2.931 1
1 759 . 9 1 1 A 63 63 LEU CA C 93 55.800 58.177 -2.377 1
1 760 . 9 1 1 A 63 63 LEU CB C 93 39.100 41.720 -2.620 1
1 764 . 9 1 1 A 63 63 LEU N N 93 119.800 119.514 0.286 1
1 765 . 9 1 1 A 64 64 HIS H H 94 8.330 8.460 -0.130 1
1 766 . 9 1 1 A 64 64 HIS HA H 94 4.290 4.091 0.199 1
1 770 . 9 1 1 A 64 64 HIS C C 94 175.200 177.210 -2.010 1
1 771 . 9 1 1 A 64 64 HIS CA C 94 56.000 59.850 -3.850 1
1 772 . 9 1 1 A 64 64 HIS CB C 94 25.900 29.527 -3.627 1
1 775 . 9 1 1 A 64 64 HIS N N 94 114.700 118.475 -3.775 1
1 776 . 9 1 1 A 65 65 SER H H 95 8.150 8.389 -0.239 1
1 777 . 9 1 1 A 65 65 SER HA H 95 4.250 4.075 0.175 1
1 779 . 9 1 1 A 65 65 SER C C 95 172.500 176.501 -4.001 1
1 780 . 9 1 1 A 65 65 SER CA C 95 59.900 61.959 -2.059 1
1 781 . 9 1 1 A 65 65 SER CB C 95 60.500 62.531 -2.031 1
1 782 . 9 1 1 A 65 65 SER N N 95 116.200 115.246 0.954 1
1 783 . 9 1 1 A 66 66 ALA H H 96 8.220 8.245 -0.025 1
1 784 . 9 1 1 A 66 66 ALA HA H 96 4.080 4.138 -0.058 1
1 788 . 9 1 1 A 66 66 ALA C C 96 176.400 180.034 -3.634 1
1 789 . 9 1 1 A 66 66 ALA CA C 96 52.600 55.108 -2.508 1
1 790 . 9 1 1 A 66 66 ALA CB C 96 15.600 17.909 -2.309 1
1 791 . 9 1 1 A 66 66 ALA N N 96 123.500 123.534 -0.034 1
1 792 . 9 1 1 A 67 67 LEU H H 97 7.870 8.411 -0.541 1
1 793 . 9 1 1 A 67 67 LEU HA H 97 3.980 3.919 0.061 1
1 803 . 9 1 1 A 67 67 LEU C C 97 176.700 178.818 -2.118 1
1 804 . 9 1 1 A 67 67 LEU CA C 97 55.000 57.934 -2.934 1
1 805 . 9 1 1 A 67 67 LEU CB C 97 38.700 42.093 -3.393 1
1 809 . 9 1 1 A 67 67 LEU N N 97 115.800 118.953 -3.153 1
1 810 . 9 1 1 A 68 68 TYR H H 98 7.830 8.592 -0.762 1
1 811 . 9 1 1 A 68 68 TYR HA H 98 4.320 4.154 0.166 1
1 816 . 9 1 1 A 68 68 TYR C C 98 174.900 177.644 -2.744 1
1 817 . 9 1 1 A 68 68 TYR CA C 98 58.200 61.811 -3.611 1
1 818 . 9 1 1 A 68 68 TYR CB C 98 35.500 38.396 -2.896 1
1 821 . 9 1 1 A 68 68 TYR N N 98 120.300 119.214 1.086 1
1 822 . 9 1 1 A 69 69 PHE H H 99 8.110 8.900 -0.790 1
1 823 . 9 1 1 A 69 69 PHE HA H 99 4.200 4.308 -0.108 1
1 828 . 9 1 1 A 69 69 PHE C C 99 173.600 178.446 -4.846 1
1 829 . 9 1 1 A 69 69 PHE CA C 99 58.400 61.984 -3.584 1
1 830 . 9 1 1 A 69 69 PHE CB C 99 36.100 38.838 -2.738 1
1 834 . 9 1 1 A 69 69 PHE N N 99 117.600 118.994 -1.394 1
1 835 . 9 1 1 A 70 70 LYS H H 100 8.030 8.419 -0.389 1
1 836 . 9 1 1 A 70 70 LYS HA H 100 3.800 4.052 -0.252 1
1 843 . 9 1 1 A 70 70 LYS C C 100 175.700 178.728 -3.028 1
1 844 . 9 1 1 A 70 70 LYS CA C 100 57.300 59.673 -2.373 1
1 845 . 9 1 1 A 70 70 LYS CB C 100 29.500 32.280 -2.780 1
1 849 . 9 1 1 A 70 70 LYS N N 100 118.300 118.363 -0.063 1
1 850 . 9 1 1 A 71 71 TYR H H 101 7.720 8.469 -0.749 1
1 851 . 9 1 1 A 71 71 TYR HA H 101 4.210 4.087 0.123 1
1 856 . 9 1 1 A 71 71 TYR C C 101 175.300 177.256 -1.956 1
1 857 . 9 1 1 A 71 71 TYR CA C 101 57.800 61.387 -3.587 1
1 858 . 9 1 1 A 71 71 TYR CB C 101 34.700 38.645 -3.945 1
1 861 . 9 1 1 A 71 71 TYR N N 101 119.600 121.138 -1.538 1
1 862 . 9 1 1 A 72 72 LEU H H 102 7.950 8.537 -0.587 1
1 863 . 9 1 1 A 72 72 LEU HA H 102 3.800 3.894 -0.094 1
1 870 . 9 1 1 A 72 72 LEU C C 102 176.300 179.215 -2.915 1
1 871 . 9 1 1 A 72 72 LEU CA C 102 55.100 58.264 -3.164 1
1 872 . 9 1 1 A 72 72 LEU CB C 102 39.500 41.854 -2.354 1
1 876 . 9 1 1 A 72 72 LEU N N 102 121.000 120.810 0.190 1
1 877 . 9 1 1 A 73 73 LEU H H 103 7.870 8.187 -0.317 1
1 878 . 9 1 1 A 73 73 LEU HA H 103 4.030 4.211 -0.181 1
1 888 . 9 1 1 A 73 73 LEU C C 103 176.200 179.055 -2.855 1
1 889 . 9 1 1 A 73 73 LEU CA C 103 54.500 58.104 -3.604 1
1 890 . 9 1 1 A 73 73 LEU CB C 103 39.200 41.381 -2.181 1
1 894 . 9 1 1 A 73 73 LEU N N 103 116.900 118.019 -1.119 1
1 895 . 9 1 1 A 74 74 SER H H 104 7.780 8.226 -0.446 1
1 896 . 9 1 1 A 74 74 SER HA H 104 4.230 4.037 0.193 1
1 898 . 9 1 1 A 74 74 SER C C 104 172.800 176.031 -3.231 1
1 899 . 9 1 1 A 74 74 SER CA C 104 57.900 62.208 -4.308 1
1 900 . 9 1 1 A 74 74 SER CB C 104 60.800 62.740 -1.940 1
1 901 . 9 1 1 A 74 74 SER N N 104 113.200 116.473 -3.273 1
1 902 . 9 1 1 A 75 75 ASN H H 105 7.720 7.521 0.199 1
1 903 . 9 1 1 A 75 75 ASN HA H 105 4.530 4.360 0.170 1
1 906 . 9 1 1 A 75 75 ASN C C 105 173.100 177.090 -3.990 1
1 907 . 9 1 1 A 75 75 ASN CA C 105 51.800 56.004 -4.204 1
1 908 . 9 1 1 A 75 75 ASN CB C 105 36.600 38.451 -1.851 1
1 909 . 9 1 1 A 75 75 ASN N N 105 118.400 120.210 -1.810 1
1 910 . 9 1 1 A 76 76 TYR H H 106 7.720 7.468 0.252 1
1 911 . 9 1 1 A 76 76 TYR HA H 106 4.380 4.399 -0.019 1
1 916 . 9 1 1 A 76 76 TYR C C 106 173.000 178.267 -5.267 1
1 917 . 9 1 1 A 76 76 TYR CA C 106 56.700 60.835 -4.135 1
1 918 . 9 1 1 A 76 76 TYR CB C 106 36.100 38.383 -2.283 1
1 921 . 9 1 1 A 76 76 TYR N N 106 118.900 119.174 -0.274 1
1 922 . 9 1 1 A 77 77 SER H H 107 7.650 8.228 -0.578 1
1 923 . 9 1 1 A 77 77 SER HA H 107 4.330 4.178 0.152 1
1 926 . 9 1 1 A 77 77 SER C C 107 171.800 174.685 -2.885 1
1 927 . 9 1 1 A 77 77 SER CA C 107 55.800 61.943 -6.143 1
1 928 . 9 1 1 A 77 77 SER CB C 107 61.400 63.301 -1.901 1
1 929 . 9 1 1 A 77 77 SER N N 107 114.300 116.605 -2.305 1
1 930 . 9 1 1 A 78 78 SER H H 108 7.940 8.146 -0.206 1
1 931 . 9 1 1 A 78 78 SER HA H 108 4.440 4.026 0.414 1
1 933 . 9 1 1 A 78 78 SER C C 108 171.900 173.445 -1.545 1
1 934 . 9 1 1 A 78 78 SER CA C 108 55.800 59.493 -3.693 1
1 935 . 9 1 1 A 78 78 SER CB C 108 61.200 62.424 -1.224 1
1 936 . 9 1 1 A 78 78 SER N N 108 116.600 115.271 1.329 1
1 937 . 9 1 1 A 79 79 VAL H H 109 7.850 7.470 0.380 1
1 938 . 9 1 1 A 79 79 VAL HA H 109 4.170 4.582 -0.412 1
1 943 . 9 1 1 A 79 79 VAL C C 109 172.900 174.323 -1.423 1
1 944 . 9 1 1 A 79 79 VAL CA C 109 59.900 60.477 -0.577 1
1 945 . 9 1 1 A 79 79 VAL CB C 109 29.900 33.763 -3.863 1
1 948 . 9 1 1 A 79 79 VAL N N 109 120.200 114.498 5.702 1
1 3 . 10 1 1 A 2 2 ASN HA H 32 4.710 4.955 -0.245 1
1 6 . 10 1 1 A 2 2 ASN CA C 32 50.800 52.251 -1.451 1
1 7 . 10 1 1 A 2 2 ASN CB C 32 36.400 40.154 -3.754 1
1 8 . 10 1 1 A 3 3 GLY H H 33 8.470 8.525 -0.055 1
1 9 . 10 1 1 A 3 3 GLY HA2 H 33 3.890 4.048 -0.158 1
1 10 . 10 1 1 A 3 3 GLY HA3 H 33 3.990 4.049 -0.059 1
1 11 . 10 1 1 A 3 3 GLY C C 33 171.500 173.091 -1.591 1
1 12 . 10 1 1 A 3 3 GLY CA C 33 42.900 44.474 -1.574 1
1 13 . 10 1 1 A 3 3 GLY N N 33 109.300 106.952 2.348 1
1 14 . 10 1 1 A 4 4 SER H H 34 8.020 8.259 -0.239 1
1 15 . 10 1 1 A 4 4 SER HA H 34 4.480 5.091 -0.611 1
1 17 . 10 1 1 A 4 4 SER C C 34 171.700 173.338 -1.638 1
1 18 . 10 1 1 A 4 4 SER CA C 34 55.600 56.997 -1.397 1
1 19 . 10 1 1 A 4 4 SER CB C 34 61.400 64.097 -2.697 1
1 20 . 10 1 1 A 4 4 SER N N 34 115.200 112.819 2.381 1
1 21 . 10 1 1 A 5 5 THR H H 35 8.030 8.908 -0.878 1
1 22 . 10 1 1 A 5 5 THR HA H 35 4.300 4.557 -0.257 1
1 27 . 10 1 1 A 5 5 THR C C 35 171.400 174.020 -2.620 1
1 28 . 10 1 1 A 5 5 THR CA C 35 59.500 60.958 -1.458 1
1 29 . 10 1 1 A 5 5 THR CB C 35 67.200 69.886 -2.686 1
1 31 . 10 1 1 A 5 5 THR N N 35 115.600 121.403 -5.803 1
1 32 . 10 1 1 A 6 6 ILE H H 36 7.850 7.323 0.527 1
1 33 . 10 1 1 A 6 6 ILE HA H 36 4.260 4.056 0.204 1
1 43 . 10 1 1 A 6 6 ILE C C 36 171.900 176.156 -4.256 1
1 44 . 10 1 1 A 6 6 ILE CA C 36 58.200 60.492 -2.292 1
1 45 . 10 1 1 A 6 6 ILE CB C 36 36.500 38.392 -1.892 1
1 49 . 10 1 1 A 6 6 ILE N N 36 122.000 123.148 -1.148 1
1 50 . 10 1 1 A 7 7 THR H H 37 7.680 8.144 -0.464 1
1 51 . 10 1 1 A 7 7 THR HA H 37 4.570 4.211 0.359 1
1 56 . 10 1 1 A 7 7 THR C C 37 172.800 175.966 -3.166 1
1 57 . 10 1 1 A 7 7 THR CA C 37 57.400 61.034 -3.634 1
1 58 . 10 1 1 A 7 7 THR CB C 37 68.700 70.393 -1.693 1
1 60 . 10 1 1 A 7 7 THR N N 37 114.700 118.577 -3.877 1
1 61 . 10 1 1 A 8 8 PHE H H 38 8.830 8.419 0.411 1
1 62 . 10 1 1 A 8 8 PHE HA H 38 4.250 4.330 -0.080 1
1 67 . 10 1 1 A 8 8 PHE C C 38 174.700 177.733 -3.033 1
1 68 . 10 1 1 A 8 8 PHE CA C 38 58.400 61.125 -2.725 1
1 69 . 10 1 1 A 8 8 PHE CB C 38 36.000 38.395 -2.395 1
1 73 . 10 1 1 A 8 8 PHE N N 38 120.900 122.879 -1.979 1
1 74 . 10 1 1 A 9 9 ASP H H 39 8.400 8.353 0.047 1
1 75 . 10 1 1 A 9 9 ASP HA H 39 4.280 4.230 0.050 1
1 77 . 10 1 1 A 9 9 ASP C C 39 176.100 178.232 -2.132 1
1 78 . 10 1 1 A 9 9 ASP CA C 39 54.500 57.248 -2.748 1
1 79 . 10 1 1 A 9 9 ASP CB C 39 37.800 39.978 -2.178 1
1 80 . 10 1 1 A 9 9 ASP N N 39 117.400 120.841 -3.441 1
1 81 . 10 1 1 A 10 10 GLU H H 40 7.740 7.879 -0.139 1
1 82 . 10 1 1 A 10 10 GLU HA H 40 4.090 4.099 -0.009 1
1 86 . 10 1 1 A 10 10 GLU C C 40 176.100 179.186 -3.086 1
1 87 . 10 1 1 A 10 10 GLU CA C 40 55.700 59.089 -3.389 1
1 88 . 10 1 1 A 10 10 GLU CB C 40 26.800 29.460 -2.660 1
1 90 . 10 1 1 A 10 10 GLU N N 40 118.800 117.842 0.958 1
1 91 . 10 1 1 A 11 11 LEU H H 41 7.770 8.362 -0.592 1
1 92 . 10 1 1 A 11 11 LEU HA H 41 4.040 3.951 0.089 1
1 102 . 10 1 1 A 11 11 LEU C C 41 175.500 179.155 -3.655 1
1 103 . 10 1 1 A 11 11 LEU CA C 41 54.600 57.844 -3.244 1
1 104 . 10 1 1 A 11 11 LEU CB C 41 39.200 41.931 -2.731 1
1 108 . 10 1 1 A 11 11 LEU N N 41 119.500 121.505 -2.005 1
1 109 . 10 1 1 A 12 12 GLN H H 42 8.070 8.893 -0.823 1
1 110 . 10 1 1 A 12 12 GLN HA H 42 3.770 4.063 -0.293 1
1 114 . 10 1 1 A 12 12 GLN C C 42 175.400 179.671 -4.271 1
1 115 . 10 1 1 A 12 12 GLN CA C 42 56.500 58.934 -2.434 1
1 116 . 10 1 1 A 12 12 GLN CB C 42 25.800 28.248 -2.448 1
1 118 . 10 1 1 A 12 12 GLN N N 42 116.800 116.656 0.144 1
1 119 . 10 1 1 A 13 13 GLY H H 43 7.810 8.377 -0.567 1
1 120 . 10 1 1 A 13 13 GLY HA2 H 43 3.850 3.542 0.308 1
1 121 . 10 1 1 A 13 13 GLY HA3 H 43 3.910 3.543 0.367 1
1 122 . 10 1 1 A 13 13 GLY C C 43 173.000 175.962 -2.962 1
1 123 . 10 1 1 A 13 13 GLY CA C 43 43.800 47.166 -3.366 1
1 124 . 10 1 1 A 13 13 GLY N N 43 105.400 109.521 -4.121 1
1 125 . 10 1 1 A 14 14 LEU H H 44 7.650 8.439 -0.789 1
1 126 . 10 1 1 A 14 14 LEU HA H 44 4.210 3.991 0.219 1
1 136 . 10 1 1 A 14 14 LEU C C 44 176.000 178.931 -2.931 1
1 137 . 10 1 1 A 14 14 LEU CA C 44 54.200 58.390 -4.190 1
1 138 . 10 1 1 A 14 14 LEU CB C 44 40.000 41.398 -1.398 1
1 142 . 10 1 1 A 14 14 LEU N N 44 120.900 121.999 -1.099 1
1 143 . 10 1 1 A 15 15 VAL H H 45 7.760 8.461 -0.701 1
1 144 . 10 1 1 A 15 15 VAL HA H 45 3.740 3.636 0.104 1
1 152 . 10 1 1 A 15 15 VAL C C 45 173.100 176.661 -3.561 1
1 153 . 10 1 1 A 15 15 VAL CA C 45 61.800 66.796 -4.996 1
1 154 . 10 1 1 A 15 15 VAL CB C 45 29.100 31.814 -2.714 1
1 157 . 10 1 1 A 15 15 VAL N N 45 117.200 120.253 -3.053 1
1 158 . 10 1 1 A 16 16 ASN H H 46 7.820 8.072 -0.252 1
1 159 . 10 1 1 A 16 16 ASN HA H 46 4.600 4.872 -0.272 1
1 161 . 10 1 1 A 16 16 ASN CA C 46 51.400 52.344 -0.944 1
1 162 . 10 1 1 A 16 16 ASN CB C 46 36.000 39.061 -3.061 1
1 163 . 10 1 1 A 16 16 ASN N N 46 118.400 117.276 1.124 1
1 164 . 10 1 1 A 17 17 SER H H 47 8.160 8.213 -0.053 1
1 165 . 10 1 1 A 17 17 SER HA H 47 4.380 4.813 -0.433 1
1 168 . 10 1 1 A 17 17 SER CA C 47 57.900 59.737 -1.837 1
1 169 . 10 1 1 A 17 17 SER CB C 47 61.000 65.578 -4.578 1
1 170 . 10 1 1 A 18 18 THR H H 48 8.130 8.194 -0.064 1
1 171 . 10 1 1 A 18 18 THR HA H 48 3.990 4.137 -0.147 1
1 176 . 10 1 1 A 18 18 THR C C 48 173.800 176.521 -2.721 1
1 177 . 10 1 1 A 18 18 THR CA C 48 63.500 65.308 -1.808 1
1 178 . 10 1 1 A 18 18 THR CB C 48 66.000 69.318 -3.318 1
1 180 . 10 1 1 A 18 18 THR N N 48 118.300 115.929 2.371 1
1 181 . 10 1 1 A 19 19 VAL H H 49 8.100 8.586 -0.486 1
1 182 . 10 1 1 A 19 19 VAL HA H 49 3.640 3.604 0.036 1
1 190 . 10 1 1 A 19 19 VAL C C 49 174.700 178.033 -3.333 1
1 191 . 10 1 1 A 19 19 VAL CA C 49 64.000 66.932 -2.932 1
1 192 . 10 1 1 A 19 19 VAL CB C 49 29.000 31.730 -2.730 1
1 195 . 10 1 1 A 19 19 VAL N N 49 120.800 121.664 -0.864 1
1 196 . 10 1 1 A 20 20 THR H H 50 7.830 8.292 -0.462 1
1 197 . 10 1 1 A 20 20 THR HA H 50 3.740 3.895 -0.155 1
1 202 . 10 1 1 A 20 20 THR C C 50 173.800 176.749 -2.949 1
1 203 . 10 1 1 A 20 20 THR CA C 50 64.400 65.841 -1.441 1
1 204 . 10 1 1 A 20 20 THR CB C 50 65.500 68.874 -3.374 1
1 206 . 10 1 1 A 20 20 THR N N 50 114.000 114.428 -0.428 1
1 207 . 10 1 1 A 21 21 GLN H H 51 7.920 8.026 -0.106 1
1 208 . 10 1 1 A 21 21 GLN HA H 51 3.970 4.028 -0.058 1
1 211 . 10 1 1 A 21 21 GLN C C 51 175.900 177.856 -1.956 1
1 212 . 10 1 1 A 21 21 GLN CA C 51 56.300 58.563 -2.263 1
1 213 . 10 1 1 A 21 21 GLN CB C 51 25.700 28.628 -2.928 1
1 215 . 10 1 1 A 21 21 GLN N N 51 118.400 119.978 -1.578 1
1 216 . 10 1 1 A 22 22 ALA H H 52 7.960 8.014 -0.054 1
1 217 . 10 1 1 A 22 22 ALA HA H 52 4.160 4.169 -0.009 1
1 221 . 10 1 1 A 22 22 ALA C C 52 176.800 180.147 -3.347 1
1 222 . 10 1 1 A 22 22 ALA CA C 52 52.800 55.239 -2.439 1
1 223 . 10 1 1 A 22 22 ALA CB C 52 15.700 18.264 -2.564 1
1 224 . 10 1 1 A 22 22 ALA N N 52 122.200 121.914 0.286 1
1 225 . 10 1 1 A 23 23 ILE H H 53 8.100 7.731 0.369 1
1 226 . 10 1 1 A 23 23 ILE HA H 53 3.660 3.686 -0.026 1
1 236 . 10 1 1 A 23 23 ILE C C 53 175.300 178.280 -2.980 1
1 237 . 10 1 1 A 23 23 ILE CA C 53 62.700 65.233 -2.533 1
1 238 . 10 1 1 A 23 23 ILE CB C 53 35.100 38.160 -3.060 1
1 242 . 10 1 1 A 23 23 ILE N N 53 117.500 118.835 -1.335 1
1 243 . 10 1 1 A 24 24 LEU H H 54 8.160 8.127 0.033 1
1 244 . 10 1 1 A 24 24 LEU HA H 54 3.970 3.941 0.029 1
1 254 . 10 1 1 A 24 24 LEU C C 54 176.600 178.929 -2.329 1
1 255 . 10 1 1 A 24 24 LEU CA C 54 55.500 58.275 -2.775 1
1 256 . 10 1 1 A 24 24 LEU CB C 54 38.700 41.633 -2.933 1
1 260 . 10 1 1 A 24 24 LEU N N 54 118.900 118.730 0.170 1
1 261 . 10 1 1 A 25 25 PHE H H 55 8.200 8.832 -0.632 1
1 262 . 10 1 1 A 25 25 PHE HA H 55 4.240 4.131 0.109 1
1 267 . 10 1 1 A 25 25 PHE C C 55 176.300 177.723 -1.423 1
1 268 . 10 1 1 A 25 25 PHE CA C 55 58.500 61.353 -2.853 1
1 269 . 10 1 1 A 25 25 PHE CB C 55 36.300 39.041 -2.741 1
1 273 . 10 1 1 A 25 25 PHE N N 55 119.100 118.596 0.504 1
1 274 . 10 1 1 A 26 26 GLY H H 56 8.570 8.789 -0.219 1
1 275 . 10 1 1 A 26 26 GLY HA2 H 56 3.580 3.646 -0.066 1
1 276 . 10 1 1 A 26 26 GLY HA3 H 56 3.670 3.781 -0.111 1
1 277 . 10 1 1 A 26 26 GLY C C 56 172.200 175.951 -3.751 1
1 278 . 10 1 1 A 26 26 GLY CA C 56 44.900 46.963 -2.063 1
1 279 . 10 1 1 A 26 26 GLY N N 56 108.900 106.711 2.189 1
1 280 . 10 1 1 A 27 27 VAL H H 57 8.550 8.129 0.421 1
1 281 . 10 1 1 A 27 27 VAL HA H 57 3.640 3.660 -0.020 1
1 289 . 10 1 1 A 27 27 VAL C C 57 175.000 177.755 -2.755 1
1 290 . 10 1 1 A 27 27 VAL CA C 57 63.800 66.039 -2.239 1
1 291 . 10 1 1 A 27 27 VAL CB C 57 29.000 31.600 -2.600 1
1 294 . 10 1 1 A 27 27 VAL N N 57 120.000 122.143 -2.143 1
1 295 . 10 1 1 A 28 28 ARG H H 58 8.030 8.139 -0.109 1
1 296 . 10 1 1 A 28 28 ARG HA H 58 4.020 4.038 -0.018 1
1 301 . 10 1 1 A 28 28 ARG C C 58 176.700 178.276 -1.576 1
1 302 . 10 1 1 A 28 28 ARG CA C 58 56.700 58.428 -1.728 1
1 303 . 10 1 1 A 28 28 ARG CB C 58 27.600 30.346 -2.746 1
1 306 . 10 1 1 A 28 28 ARG N N 58 118.300 120.749 -2.449 1
1 307 . 10 1 1 A 29 29 SER H H 59 8.020 7.756 0.264 1
1 308 . 10 1 1 A 29 29 SER HA H 59 4.280 3.946 0.334 1
1 310 . 10 1 1 A 29 29 SER C C 59 173.300 177.088 -3.788 1
1 311 . 10 1 1 A 29 29 SER CA C 59 58.200 61.144 -2.944 1
1 312 . 10 1 1 A 29 29 SER CB C 59 60.700 62.620 -1.920 1
1 313 . 10 1 1 A 29 29 SER N N 59 114.700 115.450 -0.750 1
1 314 . 10 1 1 A 30 30 GLY H H 60 8.310 8.376 -0.066 1
1 315 . 10 1 1 A 30 30 GLY HA2 H 60 3.630 3.685 -0.055 1
1 316 . 10 1 1 A 30 30 GLY HA3 H 60 3.750 3.754 -0.004 1
1 317 . 10 1 1 A 30 30 GLY C C 60 171.900 176.078 -4.178 1
1 318 . 10 1 1 A 30 30 GLY CA C 60 44.500 47.199 -2.699 1
1 319 . 10 1 1 A 30 30 GLY N N 60 109.700 109.631 0.069 1
1 320 . 10 1 1 A 31 31 ALA H H 61 8.330 8.001 0.329 1
1 321 . 10 1 1 A 31 31 ALA HA H 61 3.970 4.103 -0.133 1
1 325 . 10 1 1 A 31 31 ALA C C 61 177.200 179.669 -2.469 1
1 326 . 10 1 1 A 31 31 ALA CA C 61 52.900 54.784 -1.884 1
1 327 . 10 1 1 A 31 31 ALA CB C 61 15.500 18.282 -2.782 1
1 328 . 10 1 1 A 31 31 ALA N N 61 122.700 125.035 -2.335 1
1 329 . 10 1 1 A 32 32 ALA H H 62 7.860 8.409 -0.549 1
1 330 . 10 1 1 A 32 32 ALA HA H 62 4.120 3.948 0.172 1
1 334 . 10 1 1 A 32 32 ALA C C 62 177.400 179.644 -2.244 1
1 335 . 10 1 1 A 32 32 ALA CA C 62 52.200 54.954 -2.754 1
1 336 . 10 1 1 A 32 32 ALA CB C 62 15.600 18.113 -2.513 1
1 337 . 10 1 1 A 32 32 ALA N N 62 120.400 120.021 0.379 1
1 338 . 10 1 1 A 33 33 ALA H H 63 7.920 8.142 -0.222 1
1 339 . 10 1 1 A 33 33 ALA HA H 63 4.070 4.045 0.025 1
1 343 . 10 1 1 A 33 33 ALA C C 63 176.200 179.678 -3.478 1
1 344 . 10 1 1 A 33 33 ALA CA C 63 52.100 55.027 -2.927 1
1 345 . 10 1 1 A 33 33 ALA CB C 63 15.800 18.317 -2.517 1
1 346 . 10 1 1 A 33 33 ALA N N 63 120.100 120.780 -0.680 1
1 347 . 10 1 1 A 34 34 LEU H H 64 8.090 8.259 -0.169 1
1 348 . 10 1 1 A 34 34 LEU HA H 64 3.980 4.141 -0.161 1
1 358 . 10 1 1 A 34 34 LEU C C 64 175.900 178.733 -2.833 1
1 359 . 10 1 1 A 34 34 LEU CA C 64 55.500 57.528 -2.028 1
1 360 . 10 1 1 A 34 34 LEU CB C 64 39.100 41.618 -2.518 1
1 364 . 10 1 1 A 34 34 LEU N N 64 116.400 119.961 -3.561 1
1 365 . 10 1 1 A 35 35 THR H H 65 7.860 8.229 -0.369 1
1 366 . 10 1 1 A 35 35 THR HA H 65 3.770 4.018 -0.248 1
1 371 . 10 1 1 A 35 35 THR C C 65 173.100 176.861 -3.761 1
1 372 . 10 1 1 A 35 35 THR CA C 65 64.600 65.145 -0.545 1
1 373 . 10 1 1 A 35 35 THR CB C 65 66.000 68.692 -2.692 1
1 375 . 10 1 1 A 35 35 THR N N 65 113.500 114.339 -0.839 1
1 376 . 10 1 1 A 36 36 LEU H H 66 7.430 7.999 -0.569 1
1 377 . 10 1 1 A 36 36 LEU HA H 66 4.000 4.064 -0.064 1
1 387 . 10 1 1 A 36 36 LEU C C 66 176.800 179.332 -2.532 1
1 388 . 10 1 1 A 36 36 LEU CA C 66 55.500 58.083 -2.583 1
1 389 . 10 1 1 A 36 36 LEU CB C 66 39.200 41.410 -2.210 1
1 393 . 10 1 1 A 36 36 LEU N N 66 120.200 118.999 1.201 1
1 394 . 10 1 1 A 37 37 ILE H H 67 7.750 8.025 -0.275 1
1 395 . 10 1 1 A 37 37 ILE HA H 67 3.800 3.787 0.013 1
1 405 . 10 1 1 A 37 37 ILE C C 67 175.000 178.377 -3.377 1
1 406 . 10 1 1 A 37 37 ILE CA C 67 62.600 65.121 -2.521 1
1 407 . 10 1 1 A 37 37 ILE CB C 67 35.300 37.840 -2.540 1
1 411 . 10 1 1 A 37 37 ILE N N 67 119.600 120.153 -0.553 1
1 412 . 10 1 1 A 38 38 VAL H H 68 8.250 8.249 0.001 1
1 413 . 10 1 1 A 38 38 VAL HA H 68 3.590 3.642 -0.052 1
1 421 . 10 1 1 A 38 38 VAL C C 68 176.600 178.208 -1.608 1
1 422 . 10 1 1 A 38 38 VAL CA C 68 65.000 65.340 -0.340 1
1 423 . 10 1 1 A 38 38 VAL CB C 68 28.900 31.588 -2.688 1
1 426 . 10 1 1 A 38 38 VAL N N 68 119.600 120.523 -0.923 1
1 427 . 10 1 1 A 39 39 VAL H H 69 8.370 8.558 -0.188 1
1 428 . 10 1 1 A 39 39 VAL HA H 69 3.620 3.742 -0.122 1
1 436 . 10 1 1 A 39 39 VAL C C 69 175.800 177.906 -2.106 1
1 437 . 10 1 1 A 39 39 VAL CA C 69 64.200 65.047 -0.847 1
1 438 . 10 1 1 A 39 39 VAL CB C 69 28.900 31.322 -2.422 1
1 441 . 10 1 1 A 39 39 VAL N N 69 121.700 120.254 1.446 1
1 442 . 10 1 1 A 40 40 TRP H H 70 8.320 8.346 -0.026 1
1 443 . 10 1 1 A 40 40 TRP HA H 70 4.150 4.239 -0.089 1
1 449 . 10 1 1 A 40 40 TRP C C 70 176.600 178.144 -1.544 1
1 450 . 10 1 1 A 40 40 TRP CA C 70 59.700 60.948 -1.248 1
1 451 . 10 1 1 A 40 40 TRP CB C 70 26.400 29.495 -3.095 1
1 454 . 10 1 1 A 40 40 TRP N N 70 122.400 122.868 -0.468 1
1 456 . 10 1 1 A 41 41 ILE H H 71 8.780 7.916 0.864 1
1 457 . 10 1 1 A 41 41 ILE HA H 71 3.510 3.287 0.223 1
1 467 . 10 1 1 A 41 41 ILE C C 71 175.600 178.145 -2.545 1
1 468 . 10 1 1 A 41 41 ILE CA C 71 62.500 63.980 -1.480 1
1 469 . 10 1 1 A 41 41 ILE CB C 71 35.700 37.739 -2.039 1
1 473 . 10 1 1 A 41 41 ILE N N 71 117.500 120.451 -2.951 1
1 474 . 10 1 1 A 42 42 THR H H 72 8.280 8.178 0.102 1
1 475 . 10 1 1 A 42 42 THR HA H 72 4.000 3.880 0.120 1
1 480 . 10 1 1 A 42 42 THR C C 72 173.800 175.589 -1.789 1
1 481 . 10 1 1 A 42 42 THR CA C 72 62.500 65.439 -2.939 1
1 482 . 10 1 1 A 42 42 THR CB C 72 66.500 68.949 -2.449 1
1 484 . 10 1 1 A 42 42 THR N N 72 110.700 115.037 -4.337 1
1 485 . 10 1 1 A 43 43 SER H H 73 7.810 7.901 -0.091 1
1 486 . 10 1 1 A 43 43 SER HA H 73 4.320 4.879 -0.559 1
1 488 . 10 1 1 A 43 43 SER C C 73 172.800 173.175 -0.375 1
1 489 . 10 1 1 A 43 43 SER CA C 73 57.600 57.332 0.268 1
1 490 . 10 1 1 A 43 43 SER CB C 73 60.900 62.510 -1.610 1
1 491 . 10 1 1 A 43 43 SER N N 73 115.900 114.508 1.392 1
1 492 . 10 1 1 A 44 44 ARG H H 74 7.490 7.688 -0.198 1
1 493 . 10 1 1 A 44 44 ARG HA H 74 4.120 4.346 -0.226 1
1 500 . 10 1 1 A 44 44 ARG C C 74 174.200 176.870 -2.670 1
1 501 . 10 1 1 A 44 44 ARG CA C 74 53.600 56.229 -2.629 1
1 502 . 10 1 1 A 44 44 ARG CB C 74 27.700 29.639 -1.939 1
1 505 . 10 1 1 A 44 44 ARG N N 74 120.100 120.484 -0.384 1
1 506 . 10 1 1 A 45 45 SER H H 75 7.890 8.516 -0.626 1
1 507 . 10 1 1 A 45 45 SER HA H 75 4.210 4.234 -0.024 1
1 509 . 10 1 1 A 45 45 SER C C 75 172.300 175.773 -3.473 1
1 510 . 10 1 1 A 45 45 SER CA C 75 56.800 61.641 -4.841 1
1 511 . 10 1 1 A 45 45 SER CB C 75 60.900 63.792 -2.892 1
1 512 . 10 1 1 A 45 45 SER N N 75 114.400 120.841 -6.441 1
1 513 . 10 1 1 A 46 46 ARG H H 76 7.850 8.068 -0.218 1
1 514 . 10 1 1 A 46 46 ARG HA H 76 4.220 4.611 -0.391 1
1 519 . 10 1 1 A 46 46 ARG C C 76 173.500 175.954 -2.454 1
1 520 . 10 1 1 A 46 46 ARG CA C 76 53.900 56.687 -2.787 1
1 521 . 10 1 1 A 46 46 ARG CB C 76 27.800 32.910 -5.110 1
1 524 . 10 1 1 A 46 46 ARG N N 76 120.600 118.368 2.232 1
1 525 . 10 1 1 A 47 47 LYS H H 77 7.900 7.461 0.439 1
1 526 . 10 1 1 A 47 47 LYS HA H 77 4.320 3.721 0.599 1
1 533 . 10 1 1 A 47 47 LYS C C 77 173.600 173.779 -0.179 1
1 534 . 10 1 1 A 47 47 LYS CA C 77 53.400 54.847 -1.447 1
1 535 . 10 1 1 A 47 47 LYS CB C 77 30.500 34.638 -4.138 1
1 539 . 10 1 1 A 47 47 LYS N N 77 119.100 113.061 6.039 1
1 540 . 10 1 1 A 48 48 THR H H 78 7.840 8.356 -0.516 1
1 541 . 10 1 1 A 48 48 THR HA H 78 4.390 4.652 -0.262 1
1 546 . 10 1 1 A 48 48 THR C C 78 174.000 172.784 1.216 1
1 547 . 10 1 1 A 48 48 THR CA C 78 59.500 58.520 0.980 1
1 548 . 10 1 1 A 48 48 THR CB C 78 66.600 69.345 -2.745 1
1 550 . 10 1 1 A 48 48 THR N N 78 116.200 112.282 3.918 1
1 551 . 10 1 1 A 49 49 PRO HA H 79 4.410 4.552 -0.142 1
1 557 . 10 1 1 A 49 49 PRO CA C 79 60.800 62.535 -1.735 1
1 558 . 10 1 1 A 49 49 PRO CB C 79 28.900 32.676 -3.776 1
1 561 . 10 1 1 A 50 50 ILE H H 80 7.850 8.587 -0.737 1
1 562 . 10 1 1 A 50 50 ILE HA H 80 3.880 3.762 0.118 1
1 572 . 10 1 1 A 50 50 ILE C C 80 173.500 177.811 -4.311 1
1 573 . 10 1 1 A 50 50 ILE CA C 80 59.800 64.328 -4.528 1
1 574 . 10 1 1 A 50 50 ILE CB C 80 35.600 37.670 -2.070 1
1 578 . 10 1 1 A 50 50 ILE N N 80 119.400 123.062 -3.662 1
1 579 . 10 1 1 A 51 51 PHE H H 81 7.730 8.418 -0.688 1
1 580 . 10 1 1 A 51 51 PHE HA H 81 4.500 4.164 0.336 1
1 585 . 10 1 1 A 51 51 PHE CA C 81 56.200 61.396 -5.196 1
1 586 . 10 1 1 A 51 51 PHE CB C 81 36.500 38.994 -2.494 1
1 590 . 10 1 1 A 51 51 PHE N N 81 118.900 122.944 -4.044 1
1 591 . 10 1 1 A 52 52 ILE H H 82 7.420 8.055 -0.635 1
1 592 . 10 1 1 A 52 52 ILE HA H 82 3.880 3.658 0.222 1
1 602 . 10 1 1 A 52 52 ILE C C 82 173.800 178.281 -4.481 1
1 603 . 10 1 1 A 52 52 ILE CA C 82 59.700 64.425 -4.725 1
1 604 . 10 1 1 A 52 52 ILE CB C 82 35.400 37.584 -2.184 1
1 608 . 10 1 1 A 52 52 ILE N N 82 118.000 120.931 -2.931 1
1 609 . 10 1 1 A 53 53 ILE H H 83 7.540 8.177 -0.637 1
1 610 . 10 1 1 A 53 53 ILE HA H 83 3.890 3.676 0.214 1
1 620 . 10 1 1 A 53 53 ILE C C 83 174.300 178.765 -4.465 1
1 621 . 10 1 1 A 53 53 ILE CA C 83 59.800 64.985 -5.185 1
1 622 . 10 1 1 A 53 53 ILE CB C 83 35.600 37.379 -1.779 1
1 626 . 10 1 1 A 53 53 ILE N N 83 119.300 120.344 -1.044 1
1 627 . 10 1 1 A 54 54 ASN H H 84 8.030 8.610 -0.580 1
1 628 . 10 1 1 A 54 54 ASN HA H 84 4.620 4.411 0.209 1
1 631 . 10 1 1 A 54 54 ASN CA C 84 51.500 56.336 -4.836 1
1 632 . 10 1 1 A 54 54 ASN CB C 84 36.500 39.101 -2.601 1
1 633 . 10 1 1 A 54 54 ASN N N 84 118.300 120.428 -2.128 1
1 634 . 10 1 1 A 55 55 GLN H H 85 8.040 8.438 -0.398 1
1 635 . 10 1 1 A 55 55 GLN HA H 85 4.210 4.208 0.002 1
1 639 . 10 1 1 A 55 55 GLN CA C 85 54.400 58.602 -4.202 1
1 640 . 10 1 1 A 55 55 GLN CB C 85 25.600 28.693 -3.093 1
1 642 . 10 1 1 A 56 56 VAL H H 86 7.720 7.967 -0.247 1
1 643 . 10 1 1 A 56 56 VAL HA H 86 3.800 3.861 -0.061 1
1 651 . 10 1 1 A 56 56 VAL C C 86 174.200 178.051 -3.851 1
1 652 . 10 1 1 A 56 56 VAL CA C 86 62.700 65.203 -2.503 1
1 653 . 10 1 1 A 56 56 VAL CB C 86 29.100 31.735 -2.635 1
1 656 . 10 1 1 A 56 56 VAL N N 86 118.700 115.973 2.727 1
1 657 . 10 1 1 A 57 57 SER H H 87 8.080 8.226 -0.146 1
1 658 . 10 1 1 A 57 57 SER HA H 87 4.200 4.104 0.096 1
1 660 . 10 1 1 A 57 57 SER C C 87 173.800 177.390 -3.590 1
1 661 . 10 1 1 A 57 57 SER CA C 87 58.400 61.832 -3.432 1
1 662 . 10 1 1 A 57 57 SER CB C 87 60.000 63.131 -3.131 1
1 663 . 10 1 1 A 57 57 SER N N 87 115.300 117.200 -1.900 1
1 664 . 10 1 1 A 58 58 LEU H H 88 7.780 8.381 -0.601 1
1 665 . 10 1 1 A 58 58 LEU HA H 88 4.060 3.940 0.120 1
1 675 . 10 1 1 A 58 58 LEU CA C 88 55.300 57.959 -2.659 1
1 676 . 10 1 1 A 58 58 LEU CB C 88 39.200 42.098 -2.898 1
1 680 . 10 1 1 A 58 58 LEU N N 88 121.900 122.006 -0.106 1
1 681 . 10 1 1 A 59 59 PHE H H 89 7.980 8.386 -0.406 1
1 682 . 10 1 1 A 59 59 PHE HA H 89 4.190 4.326 -0.136 1
1 687 . 10 1 1 A 59 59 PHE C C 89 174.600 178.123 -3.523 1
1 688 . 10 1 1 A 59 59 PHE CA C 89 58.300 60.583 -2.283 1
1 689 . 10 1 1 A 59 59 PHE CB C 89 35.900 38.235 -2.335 1
1 693 . 10 1 1 A 59 59 PHE N N 89 117.100 117.303 -0.203 1
1 694 . 10 1 1 A 60 60 LEU H H 90 8.010 8.930 -0.920 1
1 695 . 10 1 1 A 60 60 LEU HA H 90 3.870 3.931 -0.061 1
1 705 . 10 1 1 A 60 60 LEU C C 90 176.800 179.395 -2.595 1
1 706 . 10 1 1 A 60 60 LEU CA C 90 55.400 58.514 -3.114 1
1 707 . 10 1 1 A 60 60 LEU CB C 90 38.900 42.274 -3.374 1
1 711 . 10 1 1 A 60 60 LEU N N 90 117.700 119.883 -2.183 1
1 712 . 10 1 1 A 61 61 ILE H H 91 7.910 8.025 -0.115 1
1 713 . 10 1 1 A 61 61 ILE HA H 91 3.790 3.594 0.196 1
1 723 . 10 1 1 A 61 61 ILE CA C 91 62.500 65.568 -3.068 1
1 724 . 10 1 1 A 61 61 ILE CB C 91 35.400 37.850 -2.450 1
1 728 . 10 1 1 A 61 61 ILE N N 91 118.400 118.406 -0.006 1
1 729 . 10 1 1 A 62 62 ILE H H 92 7.930 8.167 -0.237 1
1 730 . 10 1 1 A 62 62 ILE HA H 92 3.620 3.615 0.005 1
1 740 . 10 1 1 A 62 62 ILE C C 92 175.000 178.575 -3.575 1
1 741 . 10 1 1 A 62 62 ILE CA C 92 62.800 65.100 -2.300 1
1 742 . 10 1 1 A 62 62 ILE CB C 92 34.600 37.346 -2.746 1
1 746 . 10 1 1 A 62 62 ILE N N 92 121.800 120.443 1.357 1
1 747 . 10 1 1 A 63 63 LEU H H 93 8.250 8.639 -0.389 1
1 748 . 10 1 1 A 63 63 LEU HA H 93 3.880 3.862 0.018 1
1 758 . 10 1 1 A 63 63 LEU C C 93 175.900 179.017 -3.117 1
1 759 . 10 1 1 A 63 63 LEU CA C 93 55.800 58.386 -2.586 1
1 760 . 10 1 1 A 63 63 LEU CB C 93 39.100 42.264 -3.164 1
1 764 . 10 1 1 A 63 63 LEU N N 93 119.800 120.238 -0.438 1
1 765 . 10 1 1 A 64 64 HIS H H 94 8.330 8.570 -0.240 1
1 766 . 10 1 1 A 64 64 HIS HA H 94 4.290 4.136 0.154 1
1 770 . 10 1 1 A 64 64 HIS C C 94 175.200 176.790 -1.590 1
1 771 . 10 1 1 A 64 64 HIS CA C 94 56.000 60.034 -4.034 1
1 772 . 10 1 1 A 64 64 HIS CB C 94 25.900 29.530 -3.630 1
1 775 . 10 1 1 A 64 64 HIS N N 94 114.700 118.549 -3.849 1
1 776 . 10 1 1 A 65 65 SER H H 95 8.150 8.782 -0.632 1
1 777 . 10 1 1 A 65 65 SER HA H 95 4.250 4.021 0.229 1
1 779 . 10 1 1 A 65 65 SER C C 95 172.500 177.370 -4.870 1
1 780 . 10 1 1 A 65 65 SER CA C 95 59.900 61.176 -1.276 1
1 781 . 10 1 1 A 65 65 SER CB C 95 60.500 62.234 -1.734 1
1 782 . 10 1 1 A 65 65 SER N N 95 116.200 113.855 2.345 1
1 783 . 10 1 1 A 66 66 ALA H H 96 8.220 8.220 0.000 1
1 784 . 10 1 1 A 66 66 ALA HA H 96 4.080 4.352 -0.272 1
1 788 . 10 1 1 A 66 66 ALA C C 96 176.400 179.816 -3.416 1
1 789 . 10 1 1 A 66 66 ALA CA C 96 52.600 55.077 -2.477 1
1 790 . 10 1 1 A 66 66 ALA CB C 96 15.600 18.071 -2.471 1
1 791 . 10 1 1 A 66 66 ALA N N 96 123.500 123.505 -0.005 1
1 792 . 10 1 1 A 67 67 LEU H H 97 7.870 8.727 -0.857 1
1 793 . 10 1 1 A 67 67 LEU HA H 97 3.980 4.036 -0.056 1
1 803 . 10 1 1 A 67 67 LEU C C 97 176.700 178.915 -2.215 1
1 804 . 10 1 1 A 67 67 LEU CA C 97 55.000 58.012 -3.012 1
1 805 . 10 1 1 A 67 67 LEU CB C 97 38.700 42.097 -3.397 1
1 809 . 10 1 1 A 67 67 LEU N N 97 115.800 119.050 -3.250 1
1 810 . 10 1 1 A 68 68 TYR H H 98 7.830 8.742 -0.912 1
1 811 . 10 1 1 A 68 68 TYR HA H 98 4.320 4.214 0.106 1
1 816 . 10 1 1 A 68 68 TYR C C 98 174.900 177.438 -2.538 1
1 817 . 10 1 1 A 68 68 TYR CA C 98 58.200 61.777 -3.577 1
1 818 . 10 1 1 A 68 68 TYR CB C 98 35.500 38.481 -2.981 1
1 821 . 10 1 1 A 68 68 TYR N N 98 120.300 119.170 1.130 1
1 822 . 10 1 1 A 69 69 PHE H H 99 8.110 8.614 -0.504 1
1 823 . 10 1 1 A 69 69 PHE HA H 99 4.200 4.285 -0.085 1
1 828 . 10 1 1 A 69 69 PHE C C 99 173.600 177.338 -3.738 1
1 829 . 10 1 1 A 69 69 PHE CA C 99 58.400 61.660 -3.260 1
1 830 . 10 1 1 A 69 69 PHE CB C 99 36.100 39.526 -3.426 1
1 834 . 10 1 1 A 69 69 PHE N N 99 117.600 121.295 -3.695 1
1 835 . 10 1 1 A 70 70 LYS H H 100 8.030 8.552 -0.522 1
1 836 . 10 1 1 A 70 70 LYS HA H 100 3.800 3.935 -0.135 1
1 843 . 10 1 1 A 70 70 LYS C C 100 175.700 178.078 -2.378 1
1 844 . 10 1 1 A 70 70 LYS CA C 100 57.300 58.848 -1.548 1
1 845 . 10 1 1 A 70 70 LYS CB C 100 29.500 32.057 -2.557 1
1 849 . 10 1 1 A 70 70 LYS N N 100 118.300 118.469 -0.169 1
1 850 . 10 1 1 A 71 71 TYR H H 101 7.720 8.319 -0.599 1
1 851 . 10 1 1 A 71 71 TYR HA H 101 4.210 4.061 0.149 1
1 856 . 10 1 1 A 71 71 TYR C C 101 175.300 177.204 -1.904 1
1 857 . 10 1 1 A 71 71 TYR CA C 101 57.800 61.358 -3.558 1
1 858 . 10 1 1 A 71 71 TYR CB C 101 34.700 38.789 -4.089 1
1 861 . 10 1 1 A 71 71 TYR N N 101 119.600 120.828 -1.228 1
1 862 . 10 1 1 A 72 72 LEU H H 102 7.950 8.324 -0.374 1
1 863 . 10 1 1 A 72 72 LEU HA H 102 3.800 3.751 0.049 1
1 870 . 10 1 1 A 72 72 LEU C C 102 176.300 179.574 -3.274 1
1 871 . 10 1 1 A 72 72 LEU CA C 102 55.100 57.883 -2.783 1
1 872 . 10 1 1 A 72 72 LEU CB C 102 39.500 41.664 -2.164 1
1 876 . 10 1 1 A 72 72 LEU N N 102 121.000 120.681 0.319 1
1 877 . 10 1 1 A 73 73 LEU H H 103 7.870 7.740 0.130 1
1 878 . 10 1 1 A 73 73 LEU HA H 103 4.030 4.129 -0.099 1
1 888 . 10 1 1 A 73 73 LEU C C 103 176.200 178.629 -2.429 1
1 889 . 10 1 1 A 73 73 LEU CA C 103 54.500 58.002 -3.502 1
1 890 . 10 1 1 A 73 73 LEU CB C 103 39.200 41.008 -1.808 1
1 894 . 10 1 1 A 73 73 LEU N N 103 116.900 118.228 -1.328 1
1 895 . 10 1 1 A 74 74 SER H H 104 7.780 8.125 -0.345 1
1 896 . 10 1 1 A 74 74 SER HA H 104 4.230 3.983 0.247 1
1 898 . 10 1 1 A 74 74 SER C C 104 172.800 177.038 -4.238 1
1 899 . 10 1 1 A 74 74 SER CA C 104 57.900 61.469 -3.569 1
1 900 . 10 1 1 A 74 74 SER CB C 104 60.800 62.787 -1.987 1
1 901 . 10 1 1 A 74 74 SER N N 104 113.200 115.147 -1.947 1
1 902 . 10 1 1 A 75 75 ASN H H 105 7.720 7.851 -0.131 1
1 903 . 10 1 1 A 75 75 ASN HA H 105 4.530 4.350 0.180 1
1 906 . 10 1 1 A 75 75 ASN C C 105 173.100 177.224 -4.124 1
1 907 . 10 1 1 A 75 75 ASN CA C 105 51.800 55.778 -3.978 1
1 908 . 10 1 1 A 75 75 ASN CB C 105 36.600 38.028 -1.428 1
1 909 . 10 1 1 A 75 75 ASN N N 105 118.400 119.529 -1.129 1
1 910 . 10 1 1 A 76 76 TYR H H 106 7.720 7.421 0.299 1
1 911 . 10 1 1 A 76 76 TYR HA H 106 4.380 4.398 -0.018 1
1 916 . 10 1 1 A 76 76 TYR C C 106 173.000 176.499 -3.499 1
1 917 . 10 1 1 A 76 76 TYR CA C 106 56.700 59.149 -2.449 1
1 918 . 10 1 1 A 76 76 TYR CB C 106 36.100 38.074 -1.974 1
1 921 . 10 1 1 A 76 76 TYR N N 106 118.900 117.654 1.246 1
1 922 . 10 1 1 A 77 77 SER H H 107 7.650 7.927 -0.277 1
1 923 . 10 1 1 A 77 77 SER HA H 107 4.330 4.679 -0.349 1
1 926 . 10 1 1 A 77 77 SER C C 107 171.800 172.978 -1.178 1
1 927 . 10 1 1 A 77 77 SER CA C 107 55.800 56.962 -1.162 1
1 928 . 10 1 1 A 77 77 SER CB C 107 61.400 64.775 -3.375 1
1 929 . 10 1 1 A 77 77 SER N N 107 114.300 111.595 2.705 1
1 930 . 10 1 1 A 78 78 SER H H 108 7.940 8.736 -0.796 1
1 931 . 10 1 1 A 78 78 SER HA H 108 4.440 4.675 -0.235 1
1 933 . 10 1 1 A 78 78 SER C C 108 171.900 173.782 -1.882 1
1 934 . 10 1 1 A 78 78 SER CA C 108 55.800 57.573 -1.773 1
1 935 . 10 1 1 A 78 78 SER CB C 108 61.200 64.036 -2.836 1
1 936 . 10 1 1 A 78 78 SER N N 108 116.600 120.655 -4.055 1
1 937 . 10 1 1 A 79 79 VAL H H 109 7.850 7.466 0.384 1
1 938 . 10 1 1 A 79 79 VAL HA H 109 4.170 4.494 -0.324 1
1 943 . 10 1 1 A 79 79 VAL C C 109 172.900 173.321 -0.421 1
1 944 . 10 1 1 A 79 79 VAL CA C 109 59.900 60.675 -0.775 1
1 945 . 10 1 1 A 79 79 VAL CB C 109 29.900 34.325 -4.425 1
1 948 . 10 1 1 A 79 79 VAL N N 109 120.200 119.138 1.062 1
1 3 . 11 1 1 A 2 2 ASN HA H 32 4.710 4.885 -0.175 1
1 6 . 11 1 1 A 2 2 ASN CA C 32 50.800 54.757 -3.957 1
1 7 . 11 1 1 A 2 2 ASN CB C 32 36.400 40.753 -4.353 1
1 8 . 11 1 1 A 3 3 GLY H H 33 8.470 7.864 0.606 1
1 9 . 11 1 1 A 3 3 GLY HA2 H 33 3.890 4.020 -0.130 1
1 10 . 11 1 1 A 3 3 GLY HA3 H 33 3.990 4.023 -0.033 1
1 11 . 11 1 1 A 3 3 GLY C C 33 171.500 172.799 -1.299 1
1 12 . 11 1 1 A 3 3 GLY CA C 33 42.900 44.699 -1.799 1
1 13 . 11 1 1 A 3 3 GLY N N 33 109.300 106.478 2.822 1
1 14 . 11 1 1 A 4 4 SER H H 34 8.020 8.318 -0.298 1
1 15 . 11 1 1 A 4 4 SER HA H 34 4.480 4.977 -0.497 1
1 17 . 11 1 1 A 4 4 SER C C 34 171.700 172.529 -0.829 1
1 18 . 11 1 1 A 4 4 SER CA C 34 55.600 57.675 -2.075 1
1 19 . 11 1 1 A 4 4 SER CB C 34 61.400 64.430 -3.030 1
1 20 . 11 1 1 A 4 4 SER N N 34 115.200 115.447 -0.247 1
1 21 . 11 1 1 A 5 5 THR H H 35 8.030 8.930 -0.900 1
1 22 . 11 1 1 A 5 5 THR HA H 35 4.300 4.579 -0.279 1
1 27 . 11 1 1 A 5 5 THR C C 35 171.400 173.866 -2.466 1
1 28 . 11 1 1 A 5 5 THR CA C 35 59.500 60.902 -1.402 1
1 29 . 11 1 1 A 5 5 THR CB C 35 67.200 69.787 -2.587 1
1 31 . 11 1 1 A 5 5 THR N N 35 115.600 121.574 -5.974 1
1 32 . 11 1 1 A 6 6 ILE H H 36 7.850 7.475 0.375 1
1 33 . 11 1 1 A 6 6 ILE HA H 36 4.260 4.431 -0.171 1
1 43 . 11 1 1 A 6 6 ILE C C 36 171.900 175.752 -3.852 1
1 44 . 11 1 1 A 6 6 ILE CA C 36 58.200 59.770 -1.570 1
1 45 . 11 1 1 A 6 6 ILE CB C 36 36.500 40.161 -3.661 1
1 49 . 11 1 1 A 6 6 ILE N N 36 122.000 122.783 -0.783 1
1 50 . 11 1 1 A 7 7 THR H H 37 7.680 8.302 -0.622 1
1 51 . 11 1 1 A 7 7 THR HA H 37 4.570 4.012 0.558 1
1 56 . 11 1 1 A 7 7 THR C C 37 172.800 176.059 -3.259 1
1 57 . 11 1 1 A 7 7 THR CA C 37 57.400 61.426 -4.026 1
1 58 . 11 1 1 A 7 7 THR CB C 37 68.700 70.461 -1.761 1
1 60 . 11 1 1 A 7 7 THR N N 37 114.700 117.350 -2.650 1
1 61 . 11 1 1 A 8 8 PHE H H 38 8.830 8.251 0.579 1
1 62 . 11 1 1 A 8 8 PHE HA H 38 4.250 4.336 -0.086 1
1 67 . 11 1 1 A 8 8 PHE C C 38 174.700 177.790 -3.090 1
1 68 . 11 1 1 A 8 8 PHE CA C 38 58.400 61.103 -2.703 1
1 69 . 11 1 1 A 8 8 PHE CB C 38 36.000 38.368 -2.368 1
1 73 . 11 1 1 A 8 8 PHE N N 38 120.900 122.090 -1.190 1
1 74 . 11 1 1 A 9 9 ASP H H 39 8.400 8.371 0.029 1
1 75 . 11 1 1 A 9 9 ASP HA H 39 4.280 4.264 0.016 1
1 77 . 11 1 1 A 9 9 ASP C C 39 176.100 178.927 -2.827 1
1 78 . 11 1 1 A 9 9 ASP CA C 39 54.500 57.370 -2.870 1
1 79 . 11 1 1 A 9 9 ASP CB C 39 37.800 40.239 -2.439 1
1 80 . 11 1 1 A 9 9 ASP N N 39 117.400 120.444 -3.044 1
1 81 . 11 1 1 A 10 10 GLU H H 40 7.740 7.854 -0.114 1
1 82 . 11 1 1 A 10 10 GLU HA H 40 4.090 4.063 0.027 1
1 86 . 11 1 1 A 10 10 GLU C C 40 176.100 179.427 -3.327 1
1 87 . 11 1 1 A 10 10 GLU CA C 40 55.700 59.085 -3.385 1
1 88 . 11 1 1 A 10 10 GLU CB C 40 26.800 29.362 -2.562 1
1 90 . 11 1 1 A 10 10 GLU N N 40 118.800 119.380 -0.580 1
1 91 . 11 1 1 A 11 11 LEU H H 41 7.770 8.278 -0.508 1
1 92 . 11 1 1 A 11 11 LEU HA H 41 4.040 4.007 0.033 1
1 102 . 11 1 1 A 11 11 LEU C C 41 175.500 179.281 -3.781 1
1 103 . 11 1 1 A 11 11 LEU CA C 41 54.600 58.018 -3.418 1
1 104 . 11 1 1 A 11 11 LEU CB C 41 39.200 41.559 -2.359 1
1 108 . 11 1 1 A 11 11 LEU N N 41 119.500 120.272 -0.772 1
1 109 . 11 1 1 A 12 12 GLN H H 42 8.070 8.439 -0.369 1
1 110 . 11 1 1 A 12 12 GLN HA H 42 3.770 4.058 -0.288 1
1 114 . 11 1 1 A 12 12 GLN C C 42 175.400 179.390 -3.990 1
1 115 . 11 1 1 A 12 12 GLN CA C 42 56.500 58.892 -2.392 1
1 116 . 11 1 1 A 12 12 GLN CB C 42 25.800 28.500 -2.700 1
1 118 . 11 1 1 A 12 12 GLN N N 42 116.800 117.741 -0.941 1
1 119 . 11 1 1 A 13 13 GLY H H 43 7.810 8.309 -0.499 1
1 120 . 11 1 1 A 13 13 GLY HA2 H 43 3.850 3.743 0.107 1
1 121 . 11 1 1 A 13 13 GLY HA3 H 43 3.910 3.743 0.167 1
1 122 . 11 1 1 A 13 13 GLY C C 43 173.000 176.267 -3.267 1
1 123 . 11 1 1 A 13 13 GLY CA C 43 43.800 47.355 -3.555 1
1 124 . 11 1 1 A 13 13 GLY N N 43 105.400 108.497 -3.097 1
1 125 . 11 1 1 A 14 14 LEU H H 44 7.650 8.279 -0.629 1
1 126 . 11 1 1 A 14 14 LEU HA H 44 4.210 4.042 0.168 1
1 136 . 11 1 1 A 14 14 LEU C C 44 176.000 178.712 -2.712 1
1 137 . 11 1 1 A 14 14 LEU CA C 44 54.200 58.069 -3.869 1
1 138 . 11 1 1 A 14 14 LEU CB C 44 40.000 41.983 -1.983 1
1 142 . 11 1 1 A 14 14 LEU N N 44 120.900 123.231 -2.331 1
1 143 . 11 1 1 A 15 15 VAL H H 45 7.760 8.167 -0.407 1
1 144 . 11 1 1 A 15 15 VAL HA H 45 3.740 3.584 0.156 1
1 152 . 11 1 1 A 15 15 VAL C C 45 173.100 178.014 -4.914 1
1 153 . 11 1 1 A 15 15 VAL CA C 45 61.800 67.066 -5.266 1
1 154 . 11 1 1 A 15 15 VAL CB C 45 29.100 31.224 -2.124 1
1 157 . 11 1 1 A 15 15 VAL N N 45 117.200 117.665 -0.465 1
1 158 . 11 1 1 A 16 16 ASN H H 46 7.820 8.244 -0.424 1
1 159 . 11 1 1 A 16 16 ASN HA H 46 4.600 4.552 0.048 1
1 161 . 11 1 1 A 16 16 ASN CA C 46 51.400 56.201 -4.801 1
1 162 . 11 1 1 A 16 16 ASN CB C 46 36.000 38.968 -2.968 1
1 163 . 11 1 1 A 16 16 ASN N N 46 118.400 118.923 -0.523 1
1 164 . 11 1 1 A 17 17 SER H H 47 8.160 7.512 0.648 1
1 165 . 11 1 1 A 17 17 SER HA H 47 4.380 4.685 -0.305 1
1 168 . 11 1 1 A 17 17 SER CA C 47 57.900 57.358 0.542 1
1 169 . 11 1 1 A 17 17 SER CB C 47 61.000 63.435 -2.435 1
1 170 . 11 1 1 A 18 18 THR H H 48 8.130 7.854 0.276 1
1 171 . 11 1 1 A 18 18 THR HA H 48 3.990 4.544 -0.554 1
1 176 . 11 1 1 A 18 18 THR C C 48 173.800 175.034 -1.234 1
1 177 . 11 1 1 A 18 18 THR CA C 48 63.500 63.952 -0.452 1
1 178 . 11 1 1 A 18 18 THR CB C 48 66.000 70.290 -4.290 1
1 180 . 11 1 1 A 18 18 THR N N 48 118.300 117.335 0.965 1
1 181 . 11 1 1 A 19 19 VAL H H 49 8.100 8.524 -0.424 1
1 182 . 11 1 1 A 19 19 VAL HA H 49 3.640 3.728 -0.088 1
1 190 . 11 1 1 A 19 19 VAL C C 49 174.700 177.882 -3.182 1
1 191 . 11 1 1 A 19 19 VAL CA C 49 64.000 65.730 -1.730 1
1 192 . 11 1 1 A 19 19 VAL CB C 49 29.000 31.222 -2.222 1
1 195 . 11 1 1 A 19 19 VAL N N 49 120.800 120.560 0.240 1
1 196 . 11 1 1 A 20 20 THR H H 50 7.830 8.148 -0.318 1
1 197 . 11 1 1 A 20 20 THR HA H 50 3.740 3.931 -0.191 1
1 202 . 11 1 1 A 20 20 THR C C 50 173.800 177.044 -3.244 1
1 203 . 11 1 1 A 20 20 THR CA C 50 64.400 65.346 -0.946 1
1 204 . 11 1 1 A 20 20 THR CB C 50 65.500 68.765 -3.265 1
1 206 . 11 1 1 A 20 20 THR N N 50 114.000 116.033 -2.033 1
1 207 . 11 1 1 A 21 21 GLN H H 51 7.920 7.886 0.034 1
1 208 . 11 1 1 A 21 21 GLN HA H 51 3.970 4.108 -0.138 1
1 211 . 11 1 1 A 21 21 GLN C C 51 175.900 178.788 -2.888 1
1 212 . 11 1 1 A 21 21 GLN CA C 51 56.300 58.673 -2.373 1
1 213 . 11 1 1 A 21 21 GLN CB C 51 25.700 28.049 -2.349 1
1 215 . 11 1 1 A 21 21 GLN N N 51 118.400 121.269 -2.869 1
1 216 . 11 1 1 A 22 22 ALA H H 52 7.960 7.851 0.109 1
1 217 . 11 1 1 A 22 22 ALA HA H 52 4.160 4.119 0.041 1
1 221 . 11 1 1 A 22 22 ALA C C 52 176.800 179.993 -3.193 1
1 222 . 11 1 1 A 22 22 ALA CA C 52 52.800 55.259 -2.459 1
1 223 . 11 1 1 A 22 22 ALA CB C 52 15.700 18.354 -2.654 1
1 224 . 11 1 1 A 22 22 ALA N N 52 122.200 122.875 -0.675 1
1 225 . 11 1 1 A 23 23 ILE H H 53 8.100 8.054 0.046 1
1 226 . 11 1 1 A 23 23 ILE HA H 53 3.660 3.688 -0.028 1
1 236 . 11 1 1 A 23 23 ILE C C 53 175.300 178.212 -2.912 1
1 237 . 11 1 1 A 23 23 ILE CA C 53 62.700 65.348 -2.648 1
1 238 . 11 1 1 A 23 23 ILE CB C 53 35.100 38.134 -3.034 1
1 242 . 11 1 1 A 23 23 ILE N N 53 117.500 118.847 -1.347 1
1 243 . 11 1 1 A 24 24 LEU H H 54 8.160 7.880 0.280 1
1 244 . 11 1 1 A 24 24 LEU HA H 54 3.970 3.919 0.051 1
1 254 . 11 1 1 A 24 24 LEU C C 54 176.600 178.903 -2.303 1
1 255 . 11 1 1 A 24 24 LEU CA C 54 55.500 58.326 -2.826 1
1 256 . 11 1 1 A 24 24 LEU CB C 54 38.700 41.860 -3.160 1
1 260 . 11 1 1 A 24 24 LEU N N 54 118.900 118.909 -0.009 1
1 261 . 11 1 1 A 25 25 PHE H H 55 8.200 8.758 -0.558 1
1 262 . 11 1 1 A 25 25 PHE HA H 55 4.240 4.077 0.163 1
1 267 . 11 1 1 A 25 25 PHE C C 55 176.300 177.621 -1.321 1
1 268 . 11 1 1 A 25 25 PHE CA C 55 58.500 61.418 -2.918 1
1 269 . 11 1 1 A 25 25 PHE CB C 55 36.300 38.871 -2.571 1
1 273 . 11 1 1 A 25 25 PHE N N 55 119.100 118.352 0.748 1
1 274 . 11 1 1 A 26 26 GLY H H 56 8.570 8.873 -0.303 1
1 275 . 11 1 1 A 26 26 GLY HA2 H 56 3.580 3.694 -0.114 1
1 276 . 11 1 1 A 26 26 GLY HA3 H 56 3.670 3.762 -0.092 1
1 277 . 11 1 1 A 26 26 GLY C C 56 172.200 175.664 -3.464 1
1 278 . 11 1 1 A 26 26 GLY CA C 56 44.900 47.295 -2.395 1
1 279 . 11 1 1 A 26 26 GLY N N 56 108.900 106.573 2.327 1
1 280 . 11 1 1 A 27 27 VAL H H 57 8.550 8.370 0.180 1
1 281 . 11 1 1 A 27 27 VAL HA H 57 3.640 3.647 -0.007 1
1 289 . 11 1 1 A 27 27 VAL C C 57 175.000 177.787 -2.787 1
1 290 . 11 1 1 A 27 27 VAL CA C 57 63.800 65.957 -2.157 1
1 291 . 11 1 1 A 27 27 VAL CB C 57 29.000 31.575 -2.575 1
1 294 . 11 1 1 A 27 27 VAL N N 57 120.000 122.433 -2.433 1
1 295 . 11 1 1 A 28 28 ARG H H 58 8.030 8.091 -0.061 1
1 296 . 11 1 1 A 28 28 ARG HA H 58 4.020 4.005 0.015 1
1 301 . 11 1 1 A 28 28 ARG C C 58 176.700 178.221 -1.521 1
1 302 . 11 1 1 A 28 28 ARG CA C 58 56.700 58.404 -1.704 1
1 303 . 11 1 1 A 28 28 ARG CB C 58 27.600 30.253 -2.653 1
1 306 . 11 1 1 A 28 28 ARG N N 58 118.300 120.766 -2.466 1
1 307 . 11 1 1 A 29 29 SER H H 59 8.020 7.715 0.305 1
1 308 . 11 1 1 A 29 29 SER HA H 59 4.280 3.928 0.352 1
1 310 . 11 1 1 A 29 29 SER C C 59 173.300 177.069 -3.769 1
1 311 . 11 1 1 A 29 29 SER CA C 59 58.200 61.150 -2.950 1
1 312 . 11 1 1 A 29 29 SER CB C 59 60.700 62.532 -1.832 1
1 313 . 11 1 1 A 29 29 SER N N 59 114.700 115.417 -0.717 1
1 314 . 11 1 1 A 30 30 GLY H H 60 8.310 8.296 0.014 1
1 315 . 11 1 1 A 30 30 GLY HA2 H 60 3.630 3.755 -0.125 1
1 316 . 11 1 1 A 30 30 GLY HA3 H 60 3.750 3.756 -0.006 1
1 317 . 11 1 1 A 30 30 GLY C C 60 171.900 175.923 -4.023 1
1 318 . 11 1 1 A 30 30 GLY CA C 60 44.500 47.395 -2.895 1
1 319 . 11 1 1 A 30 30 GLY N N 60 109.700 109.646 0.054 1
1 320 . 11 1 1 A 31 31 ALA H H 61 8.330 7.928 0.402 1
1 321 . 11 1 1 A 31 31 ALA HA H 61 3.970 4.056 -0.086 1
1 325 . 11 1 1 A 31 31 ALA C C 61 177.200 179.663 -2.463 1
1 326 . 11 1 1 A 31 31 ALA CA C 61 52.900 54.678 -1.778 1
1 327 . 11 1 1 A 31 31 ALA CB C 61 15.500 18.225 -2.725 1
1 328 . 11 1 1 A 31 31 ALA N N 61 122.700 124.635 -1.935 1
1 329 . 11 1 1 A 32 32 ALA H H 62 7.860 8.441 -0.581 1
1 330 . 11 1 1 A 32 32 ALA HA H 62 4.120 4.073 0.047 1
1 334 . 11 1 1 A 32 32 ALA C C 62 177.400 179.793 -2.393 1
1 335 . 11 1 1 A 32 32 ALA CA C 62 52.200 54.920 -2.720 1
1 336 . 11 1 1 A 32 32 ALA CB C 62 15.600 18.227 -2.627 1
1 337 . 11 1 1 A 32 32 ALA N N 62 120.400 119.710 0.690 1
1 338 . 11 1 1 A 33 33 ALA H H 63 7.920 8.186 -0.266 1
1 339 . 11 1 1 A 33 33 ALA HA H 63 4.070 4.052 0.018 1
1 343 . 11 1 1 A 33 33 ALA C C 63 176.200 179.648 -3.448 1
1 344 . 11 1 1 A 33 33 ALA CA C 63 52.100 55.032 -2.932 1
1 345 . 11 1 1 A 33 33 ALA CB C 63 15.800 18.242 -2.442 1
1 346 . 11 1 1 A 33 33 ALA N N 63 120.100 120.751 -0.651 1
1 347 . 11 1 1 A 34 34 LEU H H 64 8.090 8.110 -0.020 1
1 348 . 11 1 1 A 34 34 LEU HA H 64 3.980 4.104 -0.124 1
1 358 . 11 1 1 A 34 34 LEU C C 64 175.900 178.834 -2.934 1
1 359 . 11 1 1 A 34 34 LEU CA C 64 55.500 57.718 -2.218 1
1 360 . 11 1 1 A 34 34 LEU CB C 64 39.100 41.823 -2.723 1
1 364 . 11 1 1 A 34 34 LEU N N 64 116.400 119.960 -3.560 1
1 365 . 11 1 1 A 35 35 THR H H 65 7.860 8.110 -0.250 1
1 366 . 11 1 1 A 35 35 THR HA H 65 3.770 3.962 -0.192 1
1 371 . 11 1 1 A 35 35 THR C C 65 173.100 176.883 -3.783 1
1 372 . 11 1 1 A 35 35 THR CA C 65 64.600 65.419 -0.819 1
1 373 . 11 1 1 A 35 35 THR CB C 65 66.000 68.795 -2.795 1
1 375 . 11 1 1 A 35 35 THR N N 65 113.500 114.321 -0.821 1
1 376 . 11 1 1 A 36 36 LEU H H 66 7.430 8.034 -0.604 1
1 377 . 11 1 1 A 36 36 LEU HA H 66 4.000 4.067 -0.067 1
1 387 . 11 1 1 A 36 36 LEU C C 66 176.800 179.031 -2.231 1
1 388 . 11 1 1 A 36 36 LEU CA C 66 55.500 58.079 -2.579 1
1 389 . 11 1 1 A 36 36 LEU CB C 66 39.200 41.581 -2.381 1
1 393 . 11 1 1 A 36 36 LEU N N 66 120.200 118.829 1.371 1
1 394 . 11 1 1 A 37 37 ILE H H 67 7.750 8.246 -0.496 1
1 395 . 11 1 1 A 37 37 ILE HA H 67 3.800 3.729 0.071 1
1 405 . 11 1 1 A 37 37 ILE C C 67 175.000 178.198 -3.198 1
1 406 . 11 1 1 A 37 37 ILE CA C 67 62.600 65.357 -2.757 1
1 407 . 11 1 1 A 37 37 ILE CB C 67 35.300 38.193 -2.893 1
1 411 . 11 1 1 A 37 37 ILE N N 67 119.600 120.123 -0.523 1
1 412 . 11 1 1 A 38 38 VAL H H 68 8.250 7.879 0.371 1
1 413 . 11 1 1 A 38 38 VAL HA H 68 3.590 3.865 -0.275 1
1 421 . 11 1 1 A 38 38 VAL C C 68 176.600 178.180 -1.580 1
1 422 . 11 1 1 A 38 38 VAL CA C 68 65.000 65.657 -0.657 1
1 423 . 11 1 1 A 38 38 VAL CB C 68 28.900 31.607 -2.707 1
1 426 . 11 1 1 A 38 38 VAL N N 68 119.600 116.551 3.049 1
1 427 . 11 1 1 A 39 39 VAL H H 69 8.370 8.031 0.339 1
1 428 . 11 1 1 A 39 39 VAL HA H 69 3.620 3.716 -0.096 1
1 436 . 11 1 1 A 39 39 VAL C C 69 175.800 177.927 -2.127 1
1 437 . 11 1 1 A 39 39 VAL CA C 69 64.200 66.486 -2.286 1
1 438 . 11 1 1 A 39 39 VAL CB C 69 28.900 31.687 -2.787 1
1 441 . 11 1 1 A 39 39 VAL N N 69 121.700 120.969 0.731 1
1 442 . 11 1 1 A 40 40 TRP H H 70 8.320 8.593 -0.273 1
1 443 . 11 1 1 A 40 40 TRP HA H 70 4.150 4.281 -0.131 1
1 449 . 11 1 1 A 40 40 TRP C C 70 176.600 178.168 -1.568 1
1 450 . 11 1 1 A 40 40 TRP CA C 70 59.700 60.805 -1.105 1
1 451 . 11 1 1 A 40 40 TRP CB C 70 26.400 29.468 -3.068 1
1 454 . 11 1 1 A 40 40 TRP N N 70 122.400 120.969 1.431 1
1 456 . 11 1 1 A 41 41 ILE H H 71 8.780 8.438 0.342 1
1 457 . 11 1 1 A 41 41 ILE HA H 71 3.510 3.540 -0.030 1
1 467 . 11 1 1 A 41 41 ILE C C 71 175.600 177.988 -2.388 1
1 468 . 11 1 1 A 41 41 ILE CA C 71 62.500 64.615 -2.115 1
1 469 . 11 1 1 A 41 41 ILE CB C 71 35.700 38.022 -2.322 1
1 473 . 11 1 1 A 41 41 ILE N N 71 117.500 120.099 -2.599 1
1 474 . 11 1 1 A 42 42 THR H H 72 8.280 7.747 0.533 1
1 475 . 11 1 1 A 42 42 THR HA H 72 4.000 4.314 -0.314 1
1 480 . 11 1 1 A 42 42 THR C C 72 173.800 176.176 -2.376 1
1 481 . 11 1 1 A 42 42 THR CA C 72 62.500 65.001 -2.501 1
1 482 . 11 1 1 A 42 42 THR CB C 72 66.500 70.075 -3.575 1
1 484 . 11 1 1 A 42 42 THR N N 72 110.700 116.945 -6.245 1
1 485 . 11 1 1 A 43 43 SER H H 73 7.810 7.776 0.034 1
1 486 . 11 1 1 A 43 43 SER HA H 73 4.320 4.313 0.007 1
1 488 . 11 1 1 A 43 43 SER C C 73 172.800 173.900 -1.100 1
1 489 . 11 1 1 A 43 43 SER CA C 73 57.600 60.351 -2.751 1
1 490 . 11 1 1 A 43 43 SER CB C 73 60.900 63.725 -2.825 1
1 491 . 11 1 1 A 43 43 SER N N 73 115.900 114.937 0.963 1
1 492 . 11 1 1 A 44 44 ARG H H 74 7.490 7.400 0.090 1
1 493 . 11 1 1 A 44 44 ARG HA H 74 4.120 3.670 0.450 1
1 500 . 11 1 1 A 44 44 ARG C C 74 174.200 175.713 -1.513 1
1 501 . 11 1 1 A 44 44 ARG CA C 74 53.600 56.425 -2.825 1
1 502 . 11 1 1 A 44 44 ARG CB C 74 27.700 27.380 0.320 1
1 505 . 11 1 1 A 44 44 ARG N N 74 120.100 118.880 1.220 1
1 506 . 11 1 1 A 45 45 SER H H 75 7.890 7.735 0.155 1
1 507 . 11 1 1 A 45 45 SER HA H 75 4.210 4.190 0.020 1
1 509 . 11 1 1 A 45 45 SER C C 75 172.300 174.148 -1.848 1
1 510 . 11 1 1 A 45 45 SER CA C 75 56.800 61.415 -4.615 1
1 511 . 11 1 1 A 45 45 SER CB C 75 60.900 63.419 -2.519 1
1 512 . 11 1 1 A 45 45 SER N N 75 114.400 113.182 1.218 1
1 513 . 11 1 1 A 46 46 ARG H H 76 7.850 8.037 -0.187 1
1 514 . 11 1 1 A 46 46 ARG HA H 76 4.220 4.921 -0.701 1
1 519 . 11 1 1 A 46 46 ARG C C 76 173.500 175.586 -2.086 1
1 520 . 11 1 1 A 46 46 ARG CA C 76 53.900 54.755 -0.855 1
1 521 . 11 1 1 A 46 46 ARG CB C 76 27.800 34.641 -6.841 1
1 524 . 11 1 1 A 46 46 ARG N N 76 120.600 117.694 2.906 1
1 525 . 11 1 1 A 47 47 LYS H H 77 7.900 8.574 -0.674 1
1 526 . 11 1 1 A 47 47 LYS HA H 77 4.320 4.501 -0.181 1
1 533 . 11 1 1 A 47 47 LYS C C 77 173.600 176.525 -2.925 1
1 534 . 11 1 1 A 47 47 LYS CA C 77 53.400 55.693 -2.293 1
1 535 . 11 1 1 A 47 47 LYS CB C 77 30.500 31.628 -1.128 1
1 539 . 11 1 1 A 47 47 LYS N N 77 119.100 122.748 -3.648 1
1 540 . 11 1 1 A 48 48 THR H H 78 7.840 7.939 -0.099 1
1 541 . 11 1 1 A 48 48 THR HA H 78 4.390 4.408 -0.018 1
1 546 . 11 1 1 A 48 48 THR C C 78 174.000 174.047 -0.047 1
1 547 . 11 1 1 A 48 48 THR CA C 78 59.500 60.581 -1.081 1
1 548 . 11 1 1 A 48 48 THR CB C 78 66.600 68.689 -2.089 1
1 550 . 11 1 1 A 48 48 THR N N 78 116.200 118.024 -1.824 1
1 551 . 11 1 1 A 49 49 PRO HA H 79 4.410 4.580 -0.170 1
1 557 . 11 1 1 A 49 49 PRO CA C 79 60.800 62.699 -1.899 1
1 558 . 11 1 1 A 49 49 PRO CB C 79 28.900 32.721 -3.821 1
1 561 . 11 1 1 A 50 50 ILE H H 80 7.850 8.527 -0.677 1
1 562 . 11 1 1 A 50 50 ILE HA H 80 3.880 3.698 0.182 1
1 572 . 11 1 1 A 50 50 ILE C C 80 173.500 177.169 -3.669 1
1 573 . 11 1 1 A 50 50 ILE CA C 80 59.800 64.251 -4.451 1
1 574 . 11 1 1 A 50 50 ILE CB C 80 35.600 37.503 -1.903 1
1 578 . 11 1 1 A 50 50 ILE N N 80 119.400 123.192 -3.792 1
1 579 . 11 1 1 A 51 51 PHE H H 81 7.730 8.087 -0.357 1
1 580 . 11 1 1 A 51 51 PHE HA H 81 4.500 4.333 0.167 1
1 585 . 11 1 1 A 51 51 PHE CA C 81 56.200 60.879 -4.679 1
1 586 . 11 1 1 A 51 51 PHE CB C 81 36.500 38.852 -2.352 1
1 590 . 11 1 1 A 51 51 PHE N N 81 118.900 120.654 -1.754 1
1 591 . 11 1 1 A 52 52 ILE H H 82 7.420 8.235 -0.815 1
1 592 . 11 1 1 A 52 52 ILE HA H 82 3.880 3.678 0.202 1
1 602 . 11 1 1 A 52 52 ILE C C 82 173.800 178.235 -4.435 1
1 603 . 11 1 1 A 52 52 ILE CA C 82 59.700 65.082 -5.382 1
1 604 . 11 1 1 A 52 52 ILE CB C 82 35.400 38.051 -2.651 1
1 608 . 11 1 1 A 52 52 ILE N N 82 118.000 119.718 -1.718 1
1 609 . 11 1 1 A 53 53 ILE H H 83 7.540 8.034 -0.494 1
1 610 . 11 1 1 A 53 53 ILE HA H 83 3.890 3.428 0.462 1
1 620 . 11 1 1 A 53 53 ILE C C 83 174.300 177.884 -3.584 1
1 621 . 11 1 1 A 53 53 ILE CA C 83 59.800 65.249 -5.449 1
1 622 . 11 1 1 A 53 53 ILE CB C 83 35.600 37.565 -1.965 1
1 626 . 11 1 1 A 53 53 ILE N N 83 119.300 120.227 -0.927 1
1 627 . 11 1 1 A 54 54 ASN H H 84 8.030 8.795 -0.765 1
1 628 . 11 1 1 A 54 54 ASN HA H 84 4.620 4.402 0.218 1
1 631 . 11 1 1 A 54 54 ASN CA C 84 51.500 56.524 -5.024 1
1 632 . 11 1 1 A 54 54 ASN CB C 84 36.500 37.938 -1.438 1
1 633 . 11 1 1 A 54 54 ASN N N 84 118.300 118.832 -0.532 1
1 634 . 11 1 1 A 55 55 GLN H H 85 8.040 8.236 -0.196 1
1 635 . 11 1 1 A 55 55 GLN HA H 85 4.210 3.924 0.286 1
1 639 . 11 1 1 A 55 55 GLN CA C 85 54.400 59.148 -4.748 1
1 640 . 11 1 1 A 55 55 GLN CB C 85 25.600 28.400 -2.800 1
1 642 . 11 1 1 A 56 56 VAL H H 86 7.720 8.375 -0.655 1
1 643 . 11 1 1 A 56 56 VAL HA H 86 3.800 3.738 0.062 1
1 651 . 11 1 1 A 56 56 VAL C C 86 174.200 178.124 -3.924 1
1 652 . 11 1 1 A 56 56 VAL CA C 86 62.700 66.938 -4.238 1
1 653 . 11 1 1 A 56 56 VAL CB C 86 29.100 31.619 -2.519 1
1 656 . 11 1 1 A 56 56 VAL N N 86 118.700 120.877 -2.177 1
1 657 . 11 1 1 A 57 57 SER H H 87 8.080 8.152 -0.072 1
1 658 . 11 1 1 A 57 57 SER HA H 87 4.200 4.078 0.122 1
1 660 . 11 1 1 A 57 57 SER C C 87 173.800 177.292 -3.492 1
1 661 . 11 1 1 A 57 57 SER CA C 87 58.400 61.746 -3.346 1
1 662 . 11 1 1 A 57 57 SER CB C 87 60.000 63.196 -3.196 1
1 663 . 11 1 1 A 57 57 SER N N 87 115.300 114.828 0.472 1
1 664 . 11 1 1 A 58 58 LEU H H 88 7.780 8.224 -0.444 1
1 665 . 11 1 1 A 58 58 LEU HA H 88 4.060 3.874 0.186 1
1 675 . 11 1 1 A 58 58 LEU CA C 88 55.300 57.871 -2.571 1
1 676 . 11 1 1 A 58 58 LEU CB C 88 39.200 41.883 -2.683 1
1 680 . 11 1 1 A 58 58 LEU N N 88 121.900 121.938 -0.038 1
1 681 . 11 1 1 A 59 59 PHE H H 89 7.980 8.673 -0.693 1
1 682 . 11 1 1 A 59 59 PHE HA H 89 4.190 4.265 -0.075 1
1 687 . 11 1 1 A 59 59 PHE C C 89 174.600 178.100 -3.500 1
1 688 . 11 1 1 A 59 59 PHE CA C 89 58.300 60.511 -2.211 1
1 689 . 11 1 1 A 59 59 PHE CB C 89 35.900 39.136 -3.236 1
1 693 . 11 1 1 A 59 59 PHE N N 89 117.100 117.445 -0.345 1
1 694 . 11 1 1 A 60 60 LEU H H 90 8.010 8.765 -0.755 1
1 695 . 11 1 1 A 60 60 LEU HA H 90 3.870 3.905 -0.035 1
1 705 . 11 1 1 A 60 60 LEU C C 90 176.800 179.290 -2.490 1
1 706 . 11 1 1 A 60 60 LEU CA C 90 55.400 58.460 -3.060 1
1 707 . 11 1 1 A 60 60 LEU CB C 90 38.900 42.016 -3.116 1
1 711 . 11 1 1 A 60 60 LEU N N 90 117.700 119.623 -1.923 1
1 712 . 11 1 1 A 61 61 ILE H H 91 7.910 8.077 -0.167 1
1 713 . 11 1 1 A 61 61 ILE HA H 91 3.790 3.610 0.180 1
1 723 . 11 1 1 A 61 61 ILE CA C 91 62.500 65.553 -3.053 1
1 724 . 11 1 1 A 61 61 ILE CB C 91 35.400 37.756 -2.356 1
1 728 . 11 1 1 A 61 61 ILE N N 91 118.400 118.276 0.124 1
1 729 . 11 1 1 A 62 62 ILE H H 92 7.930 8.489 -0.559 1
1 730 . 11 1 1 A 62 62 ILE HA H 92 3.620 3.539 0.081 1
1 740 . 11 1 1 A 62 62 ILE C C 92 175.000 178.617 -3.617 1
1 741 . 11 1 1 A 62 62 ILE CA C 92 62.800 65.606 -2.806 1
1 742 . 11 1 1 A 62 62 ILE CB C 92 34.600 37.946 -3.346 1
1 746 . 11 1 1 A 62 62 ILE N N 92 121.800 120.531 1.269 1
1 747 . 11 1 1 A 63 63 LEU H H 93 8.250 8.681 -0.431 1
1 748 . 11 1 1 A 63 63 LEU HA H 93 3.880 3.994 -0.114 1
1 758 . 11 1 1 A 63 63 LEU C C 93 175.900 179.056 -3.156 1
1 759 . 11 1 1 A 63 63 LEU CA C 93 55.800 58.461 -2.661 1
1 760 . 11 1 1 A 63 63 LEU CB C 93 39.100 42.269 -3.169 1
1 764 . 11 1 1 A 63 63 LEU N N 93 119.800 119.591 0.209 1
1 765 . 11 1 1 A 64 64 HIS H H 94 8.330 8.701 -0.371 1
1 766 . 11 1 1 A 64 64 HIS HA H 94 4.290 4.186 0.104 1
1 770 . 11 1 1 A 64 64 HIS C C 94 175.200 176.780 -1.580 1
1 771 . 11 1 1 A 64 64 HIS CA C 94 56.000 59.985 -3.985 1
1 772 . 11 1 1 A 64 64 HIS CB C 94 25.900 29.397 -3.497 1
1 775 . 11 1 1 A 64 64 HIS N N 94 114.700 118.428 -3.728 1
1 776 . 11 1 1 A 65 65 SER H H 95 8.150 8.547 -0.397 1
1 777 . 11 1 1 A 65 65 SER HA H 95 4.250 3.856 0.394 1
1 779 . 11 1 1 A 65 65 SER C C 95 172.500 177.369 -4.869 1
1 780 . 11 1 1 A 65 65 SER CA C 95 59.900 61.895 -1.995 1
1 781 . 11 1 1 A 65 65 SER CB C 95 60.500 63.006 -2.506 1
1 782 . 11 1 1 A 65 65 SER N N 95 116.200 114.101 2.099 1
1 783 . 11 1 1 A 66 66 ALA H H 96 8.220 8.461 -0.241 1
1 784 . 11 1 1 A 66 66 ALA HA H 96 4.080 4.313 -0.233 1
1 788 . 11 1 1 A 66 66 ALA C C 96 176.400 180.085 -3.685 1
1 789 . 11 1 1 A 66 66 ALA CA C 96 52.600 55.346 -2.746 1
1 790 . 11 1 1 A 66 66 ALA CB C 96 15.600 18.029 -2.429 1
1 791 . 11 1 1 A 66 66 ALA N N 96 123.500 123.617 -0.117 1
1 792 . 11 1 1 A 67 67 LEU H H 97 7.870 8.746 -0.876 1
1 793 . 11 1 1 A 67 67 LEU HA H 97 3.980 3.996 -0.016 1
1 803 . 11 1 1 A 67 67 LEU C C 97 176.700 179.068 -2.368 1
1 804 . 11 1 1 A 67 67 LEU CA C 97 55.000 57.971 -2.971 1
1 805 . 11 1 1 A 67 67 LEU CB C 97 38.700 42.325 -3.625 1
1 809 . 11 1 1 A 67 67 LEU N N 97 115.800 119.010 -3.210 1
1 810 . 11 1 1 A 68 68 TYR H H 98 7.830 8.589 -0.759 1
1 811 . 11 1 1 A 68 68 TYR HA H 98 4.320 4.156 0.164 1
1 816 . 11 1 1 A 68 68 TYR C C 98 174.900 178.117 -3.217 1
1 817 . 11 1 1 A 68 68 TYR CA C 98 58.200 61.508 -3.308 1
1 818 . 11 1 1 A 68 68 TYR CB C 98 35.500 38.653 -3.153 1
1 821 . 11 1 1 A 68 68 TYR N N 98 120.300 118.375 1.925 1
1 822 . 11 1 1 A 69 69 PHE H H 99 8.110 8.758 -0.648 1
1 823 . 11 1 1 A 69 69 PHE HA H 99 4.200 4.235 -0.035 1
1 828 . 11 1 1 A 69 69 PHE C C 99 173.600 177.236 -3.636 1
1 829 . 11 1 1 A 69 69 PHE CA C 99 58.400 61.697 -3.297 1
1 830 . 11 1 1 A 69 69 PHE CB C 99 36.100 39.288 -3.188 1
1 834 . 11 1 1 A 69 69 PHE N N 99 117.600 120.851 -3.251 1
1 835 . 11 1 1 A 70 70 LYS H H 100 8.030 8.529 -0.499 1
1 836 . 11 1 1 A 70 70 LYS HA H 100 3.800 3.703 0.097 1
1 843 . 11 1 1 A 70 70 LYS C C 100 175.700 178.634 -2.934 1
1 844 . 11 1 1 A 70 70 LYS CA C 100 57.300 59.312 -2.012 1
1 845 . 11 1 1 A 70 70 LYS CB C 100 29.500 32.144 -2.644 1
1 849 . 11 1 1 A 70 70 LYS N N 100 118.300 117.507 0.793 1
1 850 . 11 1 1 A 71 71 TYR H H 101 7.720 8.111 -0.391 1
1 851 . 11 1 1 A 71 71 TYR HA H 101 4.210 4.092 0.118 1
1 856 . 11 1 1 A 71 71 TYR C C 101 175.300 177.108 -1.808 1
1 857 . 11 1 1 A 71 71 TYR CA C 101 57.800 61.472 -3.672 1
1 858 . 11 1 1 A 71 71 TYR CB C 101 34.700 38.540 -3.840 1
1 861 . 11 1 1 A 71 71 TYR N N 101 119.600 120.846 -1.246 1
1 862 . 11 1 1 A 72 72 LEU H H 102 7.950 8.592 -0.642 1
1 863 . 11 1 1 A 72 72 LEU HA H 102 3.800 4.011 -0.211 1
1 870 . 11 1 1 A 72 72 LEU C C 102 176.300 179.513 -3.213 1
1 871 . 11 1 1 A 72 72 LEU CA C 102 55.100 57.852 -2.752 1
1 872 . 11 1 1 A 72 72 LEU CB C 102 39.500 41.519 -2.019 1
1 876 . 11 1 1 A 72 72 LEU N N 102 121.000 120.779 0.221 1
1 877 . 11 1 1 A 73 73 LEU H H 103 7.870 8.019 -0.149 1
1 878 . 11 1 1 A 73 73 LEU HA H 103 4.030 3.723 0.307 1
1 888 . 11 1 1 A 73 73 LEU C C 103 176.200 178.547 -2.347 1
1 889 . 11 1 1 A 73 73 LEU CA C 103 54.500 57.710 -3.210 1
1 890 . 11 1 1 A 73 73 LEU CB C 103 39.200 40.758 -1.558 1
1 894 . 11 1 1 A 73 73 LEU N N 103 116.900 118.045 -1.145 1
1 895 . 11 1 1 A 74 74 SER H H 104 7.780 8.089 -0.309 1
1 896 . 11 1 1 A 74 74 SER HA H 104 4.230 4.008 0.222 1
1 898 . 11 1 1 A 74 74 SER C C 104 172.800 176.900 -4.100 1
1 899 . 11 1 1 A 74 74 SER CA C 104 57.900 61.484 -3.584 1
1 900 . 11 1 1 A 74 74 SER CB C 104 60.800 62.943 -2.143 1
1 901 . 11 1 1 A 74 74 SER N N 104 113.200 115.275 -2.075 1
1 902 . 11 1 1 A 75 75 ASN H H 105 7.720 7.603 0.117 1
1 903 . 11 1 1 A 75 75 ASN HA H 105 4.530 4.514 0.016 1
1 906 . 11 1 1 A 75 75 ASN C C 105 173.100 175.756 -2.656 1
1 907 . 11 1 1 A 75 75 ASN CA C 105 51.800 54.880 -3.080 1
1 908 . 11 1 1 A 75 75 ASN CB C 105 36.600 38.613 -2.013 1
1 909 . 11 1 1 A 75 75 ASN N N 105 118.400 118.788 -0.388 1
1 910 . 11 1 1 A 76 76 TYR H H 106 7.720 7.586 0.134 1
1 911 . 11 1 1 A 76 76 TYR HA H 106 4.380 4.535 -0.155 1
1 916 . 11 1 1 A 76 76 TYR C C 106 173.000 175.361 -2.361 1
1 917 . 11 1 1 A 76 76 TYR CA C 106 56.700 58.220 -1.520 1
1 918 . 11 1 1 A 76 76 TYR CB C 106 36.100 39.303 -3.203 1
1 921 . 11 1 1 A 76 76 TYR N N 106 118.900 120.009 -1.109 1
1 922 . 11 1 1 A 77 77 SER H H 107 7.650 8.343 -0.693 1
1 923 . 11 1 1 A 77 77 SER HA H 107 4.330 4.317 0.013 1
1 926 . 11 1 1 A 77 77 SER C C 107 171.800 174.662 -2.862 1
1 927 . 11 1 1 A 77 77 SER CA C 107 55.800 58.574 -2.774 1
1 928 . 11 1 1 A 77 77 SER CB C 107 61.400 63.200 -1.800 1
1 929 . 11 1 1 A 77 77 SER N N 107 114.300 117.261 -2.961 1
1 930 . 11 1 1 A 78 78 SER H H 108 7.940 8.826 -0.886 1
1 931 . 11 1 1 A 78 78 SER HA H 108 4.440 4.717 -0.277 1
1 933 . 11 1 1 A 78 78 SER C C 108 171.900 173.798 -1.898 1
1 934 . 11 1 1 A 78 78 SER CA C 108 55.800 58.518 -2.718 1
1 935 . 11 1 1 A 78 78 SER CB C 108 61.200 63.575 -2.375 1
1 936 . 11 1 1 A 78 78 SER N N 108 116.600 123.683 -7.083 1
1 937 . 11 1 1 A 79 79 VAL H H 109 7.850 7.557 0.293 1
1 938 . 11 1 1 A 79 79 VAL HA H 109 4.170 4.486 -0.316 1
1 943 . 11 1 1 A 79 79 VAL C C 109 172.900 173.638 -0.738 1
1 944 . 11 1 1 A 79 79 VAL CA C 109 59.900 60.572 -0.672 1
1 945 . 11 1 1 A 79 79 VAL CB C 109 29.900 34.453 -4.553 1
1 948 . 11 1 1 A 79 79 VAL N N 109 120.200 119.033 1.167 1
1 3 . 12 1 1 A 2 2 ASN HA H 32 4.710 4.546 0.164 1
1 6 . 12 1 1 A 2 2 ASN CA C 32 50.800 54.746 -3.946 1
1 7 . 12 1 1 A 2 2 ASN CB C 32 36.400 38.090 -1.690 1
1 8 . 12 1 1 A 3 3 GLY H H 33 8.470 8.398 0.072 1
1 9 . 12 1 1 A 3 3 GLY HA2 H 33 3.890 4.102 -0.212 1
1 10 . 12 1 1 A 3 3 GLY HA3 H 33 3.990 4.102 -0.112 1
1 11 . 12 1 1 A 3 3 GLY C C 33 171.500 174.075 -2.575 1
1 12 . 12 1 1 A 3 3 GLY CA C 33 42.900 45.747 -2.847 1
1 13 . 12 1 1 A 3 3 GLY N N 33 109.300 111.551 -2.251 1
1 14 . 12 1 1 A 4 4 SER H H 34 8.020 7.998 0.022 1
1 15 . 12 1 1 A 4 4 SER HA H 34 4.480 4.721 -0.241 1
1 17 . 12 1 1 A 4 4 SER C C 34 171.700 173.683 -1.983 1
1 18 . 12 1 1 A 4 4 SER CA C 34 55.600 56.430 -0.830 1
1 19 . 12 1 1 A 4 4 SER CB C 34 61.400 66.051 -4.651 1
1 20 . 12 1 1 A 4 4 SER N N 34 115.200 114.055 1.145 1
1 21 . 12 1 1 A 5 5 THR H H 35 8.030 9.002 -0.972 1
1 22 . 12 1 1 A 5 5 THR HA H 35 4.300 3.977 0.323 1
1 27 . 12 1 1 A 5 5 THR C C 35 171.400 173.776 -2.376 1
1 28 . 12 1 1 A 5 5 THR CA C 35 59.500 62.782 -3.282 1
1 29 . 12 1 1 A 5 5 THR CB C 35 67.200 67.498 -0.298 1
1 31 . 12 1 1 A 5 5 THR N N 35 115.600 119.711 -4.111 1
1 32 . 12 1 1 A 6 6 ILE H H 36 7.850 7.921 -0.071 1
1 33 . 12 1 1 A 6 6 ILE HA H 36 4.260 4.104 0.156 1
1 43 . 12 1 1 A 6 6 ILE C C 36 171.900 176.148 -4.248 1
1 44 . 12 1 1 A 6 6 ILE CA C 36 58.200 61.508 -3.308 1
1 45 . 12 1 1 A 6 6 ILE CB C 36 36.500 38.405 -1.905 1
1 49 . 12 1 1 A 6 6 ILE N N 36 122.000 122.223 -0.223 1
1 50 . 12 1 1 A 7 7 THR H H 37 7.680 8.177 -0.497 1
1 51 . 12 1 1 A 7 7 THR HA H 37 4.570 4.291 0.279 1
1 56 . 12 1 1 A 7 7 THR C C 37 172.800 176.014 -3.214 1
1 57 . 12 1 1 A 7 7 THR CA C 37 57.400 61.522 -4.122 1
1 58 . 12 1 1 A 7 7 THR CB C 37 68.700 70.418 -1.718 1
1 60 . 12 1 1 A 7 7 THR N N 37 114.700 117.403 -2.703 1
1 61 . 12 1 1 A 8 8 PHE H H 38 8.830 8.551 0.279 1
1 62 . 12 1 1 A 8 8 PHE HA H 38 4.250 4.255 -0.005 1
1 67 . 12 1 1 A 8 8 PHE C C 38 174.700 176.984 -2.284 1
1 68 . 12 1 1 A 8 8 PHE CA C 38 58.400 60.313 -1.913 1
1 69 . 12 1 1 A 8 8 PHE CB C 38 36.000 38.115 -2.115 1
1 73 . 12 1 1 A 8 8 PHE N N 38 120.900 120.952 -0.052 1
1 74 . 12 1 1 A 9 9 ASP H H 39 8.400 7.927 0.473 1
1 75 . 12 1 1 A 9 9 ASP HA H 39 4.280 4.411 -0.131 1
1 77 . 12 1 1 A 9 9 ASP C C 39 176.100 178.588 -2.488 1
1 78 . 12 1 1 A 9 9 ASP CA C 39 54.500 57.610 -3.110 1
1 79 . 12 1 1 A 9 9 ASP CB C 39 37.800 42.221 -4.421 1
1 80 . 12 1 1 A 9 9 ASP N N 39 117.400 120.899 -3.499 1
1 81 . 12 1 1 A 10 10 GLU H H 40 7.740 7.652 0.088 1
1 82 . 12 1 1 A 10 10 GLU HA H 40 4.090 4.055 0.035 1
1 86 . 12 1 1 A 10 10 GLU C C 40 176.100 179.432 -3.332 1
1 87 . 12 1 1 A 10 10 GLU CA C 40 55.700 59.333 -3.633 1
1 88 . 12 1 1 A 10 10 GLU CB C 40 26.800 29.378 -2.578 1
1 90 . 12 1 1 A 10 10 GLU N N 40 118.800 118.873 -0.073 1
1 91 . 12 1 1 A 11 11 LEU H H 41 7.770 8.220 -0.450 1
1 92 . 12 1 1 A 11 11 LEU HA H 41 4.040 3.986 0.054 1
1 102 . 12 1 1 A 11 11 LEU C C 41 175.500 179.230 -3.730 1
1 103 . 12 1 1 A 11 11 LEU CA C 41 54.600 58.071 -3.471 1
1 104 . 12 1 1 A 11 11 LEU CB C 41 39.200 41.345 -2.145 1
1 108 . 12 1 1 A 11 11 LEU N N 41 119.500 119.952 -0.452 1
1 109 . 12 1 1 A 12 12 GLN H H 42 8.070 8.613 -0.543 1
1 110 . 12 1 1 A 12 12 GLN HA H 42 3.770 4.082 -0.312 1
1 114 . 12 1 1 A 12 12 GLN C C 42 175.400 179.379 -3.979 1
1 115 . 12 1 1 A 12 12 GLN CA C 42 56.500 58.912 -2.412 1
1 116 . 12 1 1 A 12 12 GLN CB C 42 25.800 28.534 -2.734 1
1 118 . 12 1 1 A 12 12 GLN N N 42 116.800 117.389 -0.589 1
1 119 . 12 1 1 A 13 13 GLY H H 43 7.810 8.387 -0.577 1
1 120 . 12 1 1 A 13 13 GLY HA2 H 43 3.850 3.724 0.126 1
1 121 . 12 1 1 A 13 13 GLY HA3 H 43 3.910 3.727 0.183 1
1 122 . 12 1 1 A 13 13 GLY C C 43 173.000 176.303 -3.303 1
1 123 . 12 1 1 A 13 13 GLY CA C 43 43.800 47.307 -3.507 1
1 124 . 12 1 1 A 13 13 GLY N N 43 105.400 108.453 -3.053 1
1 125 . 12 1 1 A 14 14 LEU H H 44 7.650 8.324 -0.674 1
1 126 . 12 1 1 A 14 14 LEU HA H 44 4.210 4.024 0.186 1
1 136 . 12 1 1 A 14 14 LEU C C 44 176.000 178.503 -2.503 1
1 137 . 12 1 1 A 14 14 LEU CA C 44 54.200 58.001 -3.801 1
1 138 . 12 1 1 A 14 14 LEU CB C 44 40.000 42.053 -2.053 1
1 142 . 12 1 1 A 14 14 LEU N N 44 120.900 123.151 -2.251 1
1 143 . 12 1 1 A 15 15 VAL H H 45 7.760 7.974 -0.214 1
1 144 . 12 1 1 A 15 15 VAL HA H 45 3.740 4.009 -0.269 1
1 152 . 12 1 1 A 15 15 VAL C C 45 173.100 176.476 -3.376 1
1 153 . 12 1 1 A 15 15 VAL CA C 45 61.800 65.295 -3.495 1
1 154 . 12 1 1 A 15 15 VAL CB C 45 29.100 31.514 -2.414 1
1 157 . 12 1 1 A 15 15 VAL N N 45 117.200 117.840 -0.640 1
1 158 . 12 1 1 A 16 16 ASN H H 46 7.820 7.990 -0.170 1
1 159 . 12 1 1 A 16 16 ASN HA H 46 4.600 4.824 -0.224 1
1 161 . 12 1 1 A 16 16 ASN CA C 46 51.400 53.423 -2.023 1
1 162 . 12 1 1 A 16 16 ASN CB C 46 36.000 39.416 -3.416 1
1 163 . 12 1 1 A 16 16 ASN N N 46 118.400 118.045 0.355 1
1 164 . 12 1 1 A 17 17 SER H H 47 8.160 7.946 0.214 1
1 165 . 12 1 1 A 17 17 SER HA H 47 4.380 4.591 -0.211 1
1 168 . 12 1 1 A 17 17 SER CA C 47 57.900 59.356 -1.456 1
1 169 . 12 1 1 A 17 17 SER CB C 47 61.000 65.811 -4.811 1
1 170 . 12 1 1 A 18 18 THR H H 48 8.130 8.051 0.079 1
1 171 . 12 1 1 A 18 18 THR HA H 48 3.990 4.159 -0.169 1
1 176 . 12 1 1 A 18 18 THR C C 48 173.800 175.992 -2.192 1
1 177 . 12 1 1 A 18 18 THR CA C 48 63.500 65.448 -1.948 1
1 178 . 12 1 1 A 18 18 THR CB C 48 66.000 68.867 -2.867 1
1 180 . 12 1 1 A 18 18 THR N N 48 118.300 116.889 1.411 1
1 181 . 12 1 1 A 19 19 VAL H H 49 8.100 8.432 -0.332 1
1 182 . 12 1 1 A 19 19 VAL HA H 49 3.640 3.667 -0.027 1
1 190 . 12 1 1 A 19 19 VAL C C 49 174.700 177.788 -3.088 1
1 191 . 12 1 1 A 19 19 VAL CA C 49 64.000 66.625 -2.625 1
1 192 . 12 1 1 A 19 19 VAL CB C 49 29.000 31.442 -2.442 1
1 195 . 12 1 1 A 19 19 VAL N N 49 120.800 120.778 0.022 1
1 196 . 12 1 1 A 20 20 THR H H 50 7.830 8.257 -0.427 1
1 197 . 12 1 1 A 20 20 THR HA H 50 3.740 3.837 -0.097 1
1 202 . 12 1 1 A 20 20 THR C C 50 173.800 176.858 -3.058 1
1 203 . 12 1 1 A 20 20 THR CA C 50 64.400 65.542 -1.142 1
1 204 . 12 1 1 A 20 20 THR CB C 50 65.500 68.995 -3.495 1
1 206 . 12 1 1 A 20 20 THR N N 50 114.000 114.909 -0.909 1
1 207 . 12 1 1 A 21 21 GLN H H 51 7.920 7.668 0.252 1
1 208 . 12 1 1 A 21 21 GLN HA H 51 3.970 4.089 -0.119 1
1 211 . 12 1 1 A 21 21 GLN C C 51 175.900 178.651 -2.751 1
1 212 . 12 1 1 A 21 21 GLN CA C 51 56.300 58.796 -2.496 1
1 213 . 12 1 1 A 21 21 GLN CB C 51 25.700 28.251 -2.551 1
1 215 . 12 1 1 A 21 21 GLN N N 51 118.400 120.099 -1.699 1
1 216 . 12 1 1 A 22 22 ALA H H 52 7.960 8.210 -0.250 1
1 217 . 12 1 1 A 22 22 ALA HA H 52 4.160 4.125 0.035 1
1 221 . 12 1 1 A 22 22 ALA C C 52 176.800 180.107 -3.307 1
1 222 . 12 1 1 A 22 22 ALA CA C 52 52.800 55.302 -2.502 1
1 223 . 12 1 1 A 22 22 ALA CB C 52 15.700 17.944 -2.244 1
1 224 . 12 1 1 A 22 22 ALA N N 52 122.200 123.131 -0.931 1
1 225 . 12 1 1 A 23 23 ILE H H 53 8.100 7.497 0.603 1
1 226 . 12 1 1 A 23 23 ILE HA H 53 3.660 3.677 -0.017 1
1 236 . 12 1 1 A 23 23 ILE C C 53 175.300 178.153 -2.853 1
1 237 . 12 1 1 A 23 23 ILE CA C 53 62.700 65.300 -2.600 1
1 238 . 12 1 1 A 23 23 ILE CB C 53 35.100 38.193 -3.093 1
1 242 . 12 1 1 A 23 23 ILE N N 53 117.500 119.203 -1.703 1
1 243 . 12 1 1 A 24 24 LEU H H 54 8.160 7.972 0.188 1
1 244 . 12 1 1 A 24 24 LEU HA H 54 3.970 3.914 0.056 1
1 254 . 12 1 1 A 24 24 LEU C C 54 176.600 178.844 -2.244 1
1 255 . 12 1 1 A 24 24 LEU CA C 54 55.500 58.323 -2.823 1
1 256 . 12 1 1 A 24 24 LEU CB C 54 38.700 41.738 -3.038 1
1 260 . 12 1 1 A 24 24 LEU N N 54 118.900 119.011 -0.111 1
1 261 . 12 1 1 A 25 25 PHE H H 55 8.200 8.876 -0.676 1
1 262 . 12 1 1 A 25 25 PHE HA H 55 4.240 4.116 0.124 1
1 267 . 12 1 1 A 25 25 PHE C C 55 176.300 177.883 -1.583 1
1 268 . 12 1 1 A 25 25 PHE CA C 55 58.500 61.505 -3.005 1
1 269 . 12 1 1 A 25 25 PHE CB C 55 36.300 38.875 -2.575 1
1 273 . 12 1 1 A 25 25 PHE N N 55 119.100 118.584 0.516 1
1 274 . 12 1 1 A 26 26 GLY H H 56 8.570 8.632 -0.062 1
1 275 . 12 1 1 A 26 26 GLY HA2 H 56 3.580 3.630 -0.050 1
1 276 . 12 1 1 A 26 26 GLY HA3 H 56 3.670 3.692 -0.022 1
1 277 . 12 1 1 A 26 26 GLY C C 56 172.200 175.765 -3.565 1
1 278 . 12 1 1 A 26 26 GLY CA C 56 44.900 47.039 -2.139 1
1 279 . 12 1 1 A 26 26 GLY N N 56 108.900 106.469 2.431 1
1 280 . 12 1 1 A 27 27 VAL H H 57 8.550 8.188 0.362 1
1 281 . 12 1 1 A 27 27 VAL HA H 57 3.640 3.602 0.038 1
1 289 . 12 1 1 A 27 27 VAL C C 57 175.000 177.741 -2.741 1
1 290 . 12 1 1 A 27 27 VAL CA C 57 63.800 65.915 -2.115 1
1 291 . 12 1 1 A 27 27 VAL CB C 57 29.000 31.599 -2.599 1
1 294 . 12 1 1 A 27 27 VAL N N 57 120.000 122.161 -2.161 1
1 295 . 12 1 1 A 28 28 ARG H H 58 8.030 8.165 -0.135 1
1 296 . 12 1 1 A 28 28 ARG HA H 58 4.020 4.047 -0.027 1
1 301 . 12 1 1 A 28 28 ARG C C 58 176.700 178.256 -1.556 1
1 302 . 12 1 1 A 28 28 ARG CA C 58 56.700 58.450 -1.750 1
1 303 . 12 1 1 A 28 28 ARG CB C 58 27.600 30.336 -2.736 1
1 306 . 12 1 1 A 28 28 ARG N N 58 118.300 120.854 -2.554 1
1 307 . 12 1 1 A 29 29 SER H H 59 8.020 7.723 0.297 1
1 308 . 12 1 1 A 29 29 SER HA H 59 4.280 4.037 0.243 1
1 310 . 12 1 1 A 29 29 SER C C 59 173.300 177.200 -3.900 1
1 311 . 12 1 1 A 29 29 SER CA C 59 58.200 61.298 -3.098 1
1 312 . 12 1 1 A 29 29 SER CB C 59 60.700 62.761 -2.061 1
1 313 . 12 1 1 A 29 29 SER N N 59 114.700 115.501 -0.801 1
1 314 . 12 1 1 A 30 30 GLY H H 60 8.310 8.392 -0.082 1
1 315 . 12 1 1 A 30 30 GLY HA2 H 60 3.630 3.709 -0.079 1
1 316 . 12 1 1 A 30 30 GLY HA3 H 60 3.750 3.750 0.000 1
1 317 . 12 1 1 A 30 30 GLY C C 60 171.900 176.117 -4.217 1
1 318 . 12 1 1 A 30 30 GLY CA C 60 44.500 47.270 -2.770 1
1 319 . 12 1 1 A 30 30 GLY N N 60 109.700 109.935 -0.235 1
1 320 . 12 1 1 A 31 31 ALA H H 61 8.330 7.976 0.354 1
1 321 . 12 1 1 A 31 31 ALA HA H 61 3.970 4.096 -0.126 1
1 325 . 12 1 1 A 31 31 ALA C C 61 177.200 179.440 -2.240 1
1 326 . 12 1 1 A 31 31 ALA CA C 61 52.900 54.745 -1.845 1
1 327 . 12 1 1 A 31 31 ALA CB C 61 15.500 18.202 -2.702 1
1 328 . 12 1 1 A 31 31 ALA N N 61 122.700 125.056 -2.356 1
1 329 . 12 1 1 A 32 32 ALA H H 62 7.860 8.430 -0.570 1
1 330 . 12 1 1 A 32 32 ALA HA H 62 4.120 3.949 0.171 1
1 334 . 12 1 1 A 32 32 ALA C C 62 177.400 179.679 -2.279 1
1 335 . 12 1 1 A 32 32 ALA CA C 62 52.200 54.997 -2.797 1
1 336 . 12 1 1 A 32 32 ALA CB C 62 15.600 18.083 -2.483 1
1 337 . 12 1 1 A 32 32 ALA N N 62 120.400 119.754 0.646 1
1 338 . 12 1 1 A 33 33 ALA H H 63 7.920 8.095 -0.175 1
1 339 . 12 1 1 A 33 33 ALA HA H 63 4.070 4.093 -0.023 1
1 343 . 12 1 1 A 33 33 ALA C C 63 176.200 179.657 -3.457 1
1 344 . 12 1 1 A 33 33 ALA CA C 63 52.100 55.068 -2.968 1
1 345 . 12 1 1 A 33 33 ALA CB C 63 15.800 18.357 -2.557 1
1 346 . 12 1 1 A 33 33 ALA N N 63 120.100 120.791 -0.691 1
1 347 . 12 1 1 A 34 34 LEU H H 64 8.090 8.048 0.042 1
1 348 . 12 1 1 A 34 34 LEU HA H 64 3.980 4.151 -0.171 1
1 358 . 12 1 1 A 34 34 LEU C C 64 175.900 178.786 -2.886 1
1 359 . 12 1 1 A 34 34 LEU CA C 64 55.500 57.698 -2.198 1
1 360 . 12 1 1 A 34 34 LEU CB C 64 39.100 41.780 -2.680 1
1 364 . 12 1 1 A 34 34 LEU N N 64 116.400 120.118 -3.718 1
1 365 . 12 1 1 A 35 35 THR H H 65 7.860 8.085 -0.225 1
1 366 . 12 1 1 A 35 35 THR HA H 65 3.770 3.952 -0.182 1
1 371 . 12 1 1 A 35 35 THR C C 65 173.100 176.685 -3.585 1
1 372 . 12 1 1 A 35 35 THR CA C 65 64.600 65.255 -0.655 1
1 373 . 12 1 1 A 35 35 THR CB C 65 66.000 68.962 -2.962 1
1 375 . 12 1 1 A 35 35 THR N N 65 113.500 114.261 -0.761 1
1 376 . 12 1 1 A 36 36 LEU H H 66 7.430 7.703 -0.273 1
1 377 . 12 1 1 A 36 36 LEU HA H 66 4.000 4.154 -0.154 1
1 387 . 12 1 1 A 36 36 LEU C C 66 176.800 178.502 -1.702 1
1 388 . 12 1 1 A 36 36 LEU CA C 66 55.500 58.280 -2.780 1
1 389 . 12 1 1 A 36 36 LEU CB C 66 39.200 41.585 -2.385 1
1 393 . 12 1 1 A 36 36 LEU N N 66 120.200 119.881 0.319 1
1 394 . 12 1 1 A 37 37 ILE H H 67 7.750 8.281 -0.531 1
1 395 . 12 1 1 A 37 37 ILE HA H 67 3.800 3.767 0.033 1
1 405 . 12 1 1 A 37 37 ILE C C 67 175.000 178.231 -3.231 1
1 406 . 12 1 1 A 37 37 ILE CA C 67 62.600 65.401 -2.801 1
1 407 . 12 1 1 A 37 37 ILE CB C 67 35.300 38.223 -2.923 1
1 411 . 12 1 1 A 37 37 ILE N N 67 119.600 120.559 -0.959 1
1 412 . 12 1 1 A 38 38 VAL H H 68 8.250 7.905 0.345 1
1 413 . 12 1 1 A 38 38 VAL HA H 68 3.590 3.847 -0.257 1
1 421 . 12 1 1 A 38 38 VAL C C 68 176.600 178.188 -1.588 1
1 422 . 12 1 1 A 38 38 VAL CA C 68 65.000 65.669 -0.669 1
1 423 . 12 1 1 A 38 38 VAL CB C 68 28.900 31.575 -2.675 1
1 426 . 12 1 1 A 38 38 VAL N N 68 119.600 116.602 2.998 1
1 427 . 12 1 1 A 39 39 VAL H H 69 8.370 7.987 0.383 1
1 428 . 12 1 1 A 39 39 VAL HA H 69 3.620 3.729 -0.109 1
1 436 . 12 1 1 A 39 39 VAL C C 69 175.800 177.959 -2.159 1
1 437 . 12 1 1 A 39 39 VAL CA C 69 64.200 66.440 -2.240 1
1 438 . 12 1 1 A 39 39 VAL CB C 69 28.900 31.721 -2.821 1
1 441 . 12 1 1 A 39 39 VAL N N 69 121.700 121.128 0.572 1
1 442 . 12 1 1 A 40 40 TRP H H 70 8.320 8.433 -0.113 1
1 443 . 12 1 1 A 40 40 TRP HA H 70 4.150 4.347 -0.197 1
1 449 . 12 1 1 A 40 40 TRP C C 70 176.600 178.300 -1.700 1
1 450 . 12 1 1 A 40 40 TRP CA C 70 59.700 60.531 -0.831 1
1 451 . 12 1 1 A 40 40 TRP CB C 70 26.400 29.528 -3.128 1
1 454 . 12 1 1 A 40 40 TRP N N 70 122.400 121.029 1.371 1
1 456 . 12 1 1 A 41 41 ILE H H 71 8.780 8.081 0.699 1
1 457 . 12 1 1 A 41 41 ILE HA H 71 3.510 3.414 0.096 1
1 467 . 12 1 1 A 41 41 ILE C C 71 175.600 178.322 -2.722 1
1 468 . 12 1 1 A 41 41 ILE CA C 71 62.500 64.598 -2.098 1
1 469 . 12 1 1 A 41 41 ILE CB C 71 35.700 38.066 -2.366 1
1 473 . 12 1 1 A 41 41 ILE N N 71 117.500 119.924 -2.424 1
1 474 . 12 1 1 A 42 42 THR H H 72 8.280 7.838 0.442 1
1 475 . 12 1 1 A 42 42 THR HA H 72 4.000 4.231 -0.231 1
1 480 . 12 1 1 A 42 42 THR C C 72 173.800 176.165 -2.365 1
1 481 . 12 1 1 A 42 42 THR CA C 72 62.500 65.322 -2.822 1
1 482 . 12 1 1 A 42 42 THR CB C 72 66.500 69.794 -3.294 1
1 484 . 12 1 1 A 42 42 THR N N 72 110.700 116.430 -5.730 1
1 485 . 12 1 1 A 43 43 SER H H 73 7.810 7.739 0.071 1
1 486 . 12 1 1 A 43 43 SER HA H 73 4.320 4.322 -0.002 1
1 488 . 12 1 1 A 43 43 SER C C 73 172.800 173.908 -1.108 1
1 489 . 12 1 1 A 43 43 SER CA C 73 57.600 60.406 -2.806 1
1 490 . 12 1 1 A 43 43 SER CB C 73 60.900 63.792 -2.892 1
1 491 . 12 1 1 A 43 43 SER N N 73 115.900 114.994 0.906 1
1 492 . 12 1 1 A 44 44 ARG H H 74 7.490 7.707 -0.217 1
1 493 . 12 1 1 A 44 44 ARG HA H 74 4.120 4.120 0.000 1
1 500 . 12 1 1 A 44 44 ARG C C 74 174.200 176.214 -2.014 1
1 501 . 12 1 1 A 44 44 ARG CA C 74 53.600 56.788 -3.188 1
1 502 . 12 1 1 A 44 44 ARG CB C 74 27.700 27.121 0.579 1
1 505 . 12 1 1 A 44 44 ARG N N 74 120.100 118.878 1.222 1
1 506 . 12 1 1 A 45 45 SER H H 75 7.890 7.924 -0.034 1
1 507 . 12 1 1 A 45 45 SER HA H 75 4.210 4.246 -0.036 1
1 509 . 12 1 1 A 45 45 SER C C 75 172.300 173.824 -1.524 1
1 510 . 12 1 1 A 45 45 SER CA C 75 56.800 61.762 -4.962 1
1 511 . 12 1 1 A 45 45 SER CB C 75 60.900 63.550 -2.650 1
1 512 . 12 1 1 A 45 45 SER N N 75 114.400 113.021 1.379 1
1 513 . 12 1 1 A 46 46 ARG H H 76 7.850 8.220 -0.370 1
1 514 . 12 1 1 A 46 46 ARG HA H 76 4.220 4.779 -0.559 1
1 519 . 12 1 1 A 46 46 ARG C C 76 173.500 175.446 -1.946 1
1 520 . 12 1 1 A 46 46 ARG CA C 76 53.900 54.621 -0.721 1
1 521 . 12 1 1 A 46 46 ARG CB C 76 27.800 33.170 -5.370 1
1 524 . 12 1 1 A 46 46 ARG N N 76 120.600 118.490 2.110 1
1 525 . 12 1 1 A 47 47 LYS H H 77 7.900 8.603 -0.703 1
1 526 . 12 1 1 A 47 47 LYS HA H 77 4.320 4.744 -0.424 1
1 533 . 12 1 1 A 47 47 LYS C C 77 173.600 175.931 -2.331 1
1 534 . 12 1 1 A 47 47 LYS CA C 77 53.400 55.786 -2.386 1
1 535 . 12 1 1 A 47 47 LYS CB C 77 30.500 31.264 -0.764 1
1 539 . 12 1 1 A 47 47 LYS N N 77 119.100 123.788 -4.688 1
1 540 . 12 1 1 A 48 48 THR H H 78 7.840 7.846 -0.006 1
1 541 . 12 1 1 A 48 48 THR HA H 78 4.390 4.354 0.036 1
1 546 . 12 1 1 A 48 48 THR C C 78 174.000 174.193 -0.193 1
1 547 . 12 1 1 A 48 48 THR CA C 78 59.500 60.550 -1.050 1
1 548 . 12 1 1 A 48 48 THR CB C 78 66.600 68.565 -1.965 1
1 550 . 12 1 1 A 48 48 THR N N 78 116.200 113.778 2.422 1
1 551 . 12 1 1 A 49 49 PRO HA H 79 4.410 4.568 -0.158 1
1 557 . 12 1 1 A 49 49 PRO CA C 79 60.800 62.711 -1.911 1
1 558 . 12 1 1 A 49 49 PRO CB C 79 28.900 32.702 -3.802 1
1 561 . 12 1 1 A 50 50 ILE H H 80 7.850 8.577 -0.727 1
1 562 . 12 1 1 A 50 50 ILE HA H 80 3.880 3.748 0.132 1
1 572 . 12 1 1 A 50 50 ILE C C 80 173.500 177.226 -3.726 1
1 573 . 12 1 1 A 50 50 ILE CA C 80 59.800 64.302 -4.502 1
1 574 . 12 1 1 A 50 50 ILE CB C 80 35.600 37.574 -1.974 1
1 578 . 12 1 1 A 50 50 ILE N N 80 119.400 123.229 -3.829 1
1 579 . 12 1 1 A 51 51 PHE H H 81 7.730 8.198 -0.468 1
1 580 . 12 1 1 A 51 51 PHE HA H 81 4.500 4.320 0.180 1
1 585 . 12 1 1 A 51 51 PHE CA C 81 56.200 60.453 -4.253 1
1 586 . 12 1 1 A 51 51 PHE CB C 81 36.500 38.910 -2.410 1
1 590 . 12 1 1 A 51 51 PHE N N 81 118.900 120.368 -1.468 1
1 591 . 12 1 1 A 52 52 ILE H H 82 7.420 8.190 -0.770 1
1 592 . 12 1 1 A 52 52 ILE HA H 82 3.880 3.602 0.278 1
1 602 . 12 1 1 A 52 52 ILE C C 82 173.800 178.085 -4.285 1
1 603 . 12 1 1 A 52 52 ILE CA C 82 59.700 64.877 -5.177 1
1 604 . 12 1 1 A 52 52 ILE CB C 82 35.400 37.906 -2.506 1
1 608 . 12 1 1 A 52 52 ILE N N 82 118.000 119.643 -1.643 1
1 609 . 12 1 1 A 53 53 ILE H H 83 7.540 8.053 -0.513 1
1 610 . 12 1 1 A 53 53 ILE HA H 83 3.890 3.361 0.529 1
1 620 . 12 1 1 A 53 53 ILE C C 83 174.300 177.718 -3.418 1
1 621 . 12 1 1 A 53 53 ILE CA C 83 59.800 65.420 -5.620 1
1 622 . 12 1 1 A 53 53 ILE CB C 83 35.600 37.591 -1.991 1
1 626 . 12 1 1 A 53 53 ILE N N 83 119.300 119.957 -0.657 1
1 627 . 12 1 1 A 54 54 ASN H H 84 8.030 8.683 -0.653 1
1 628 . 12 1 1 A 54 54 ASN HA H 84 4.620 4.443 0.177 1
1 631 . 12 1 1 A 54 54 ASN CA C 84 51.500 56.480 -4.980 1
1 632 . 12 1 1 A 54 54 ASN CB C 84 36.500 37.633 -1.133 1
1 633 . 12 1 1 A 54 54 ASN N N 84 118.300 118.352 -0.052 1
1 634 . 12 1 1 A 55 55 GLN H H 85 8.040 8.114 -0.074 1
1 635 . 12 1 1 A 55 55 GLN HA H 85 4.210 3.947 0.263 1
1 639 . 12 1 1 A 55 55 GLN CA C 85 54.400 59.190 -4.790 1
1 640 . 12 1 1 A 55 55 GLN CB C 85 25.600 28.250 -2.650 1
1 642 . 12 1 1 A 56 56 VAL H H 86 7.720 8.242 -0.522 1
1 643 . 12 1 1 A 56 56 VAL HA H 86 3.800 3.700 0.100 1
1 651 . 12 1 1 A 56 56 VAL C C 86 174.200 178.240 -4.040 1
1 652 . 12 1 1 A 56 56 VAL CA C 86 62.700 66.967 -4.267 1
1 653 . 12 1 1 A 56 56 VAL CB C 86 29.100 31.589 -2.489 1
1 656 . 12 1 1 A 56 56 VAL N N 86 118.700 120.708 -2.008 1
1 657 . 12 1 1 A 57 57 SER H H 87 8.080 8.171 -0.091 1
1 658 . 12 1 1 A 57 57 SER HA H 87 4.200 4.107 0.093 1
1 660 . 12 1 1 A 57 57 SER C C 87 173.800 177.375 -3.575 1
1 661 . 12 1 1 A 57 57 SER CA C 87 58.400 61.787 -3.387 1
1 662 . 12 1 1 A 57 57 SER CB C 87 60.000 63.161 -3.161 1
1 663 . 12 1 1 A 57 57 SER N N 87 115.300 115.037 0.263 1
1 664 . 12 1 1 A 58 58 LEU H H 88 7.780 8.219 -0.439 1
1 665 . 12 1 1 A 58 58 LEU HA H 88 4.060 3.939 0.121 1
1 675 . 12 1 1 A 58 58 LEU CA C 88 55.300 57.886 -2.586 1
1 676 . 12 1 1 A 58 58 LEU CB C 88 39.200 41.822 -2.622 1
1 680 . 12 1 1 A 58 58 LEU N N 88 121.900 121.794 0.106 1
1 681 . 12 1 1 A 59 59 PHE H H 89 7.980 8.889 -0.909 1
1 682 . 12 1 1 A 59 59 PHE HA H 89 4.190 4.098 0.092 1
1 687 . 12 1 1 A 59 59 PHE C C 89 174.600 176.959 -2.359 1
1 688 . 12 1 1 A 59 59 PHE CA C 89 58.300 61.691 -3.391 1
1 689 . 12 1 1 A 59 59 PHE CB C 89 35.900 39.145 -3.245 1
1 693 . 12 1 1 A 59 59 PHE N N 89 117.100 119.407 -2.307 1
1 694 . 12 1 1 A 60 60 LEU H H 90 8.010 8.664 -0.654 1
1 695 . 12 1 1 A 60 60 LEU HA H 90 3.870 3.785 0.085 1
1 705 . 12 1 1 A 60 60 LEU C C 90 176.800 178.934 -2.134 1
1 706 . 12 1 1 A 60 60 LEU CA C 90 55.400 58.147 -2.747 1
1 707 . 12 1 1 A 60 60 LEU CB C 90 38.900 41.421 -2.521 1
1 711 . 12 1 1 A 60 60 LEU N N 90 117.700 119.584 -1.884 1
1 712 . 12 1 1 A 61 61 ILE H H 91 7.910 7.732 0.178 1
1 713 . 12 1 1 A 61 61 ILE HA H 91 3.790 3.509 0.281 1
1 723 . 12 1 1 A 61 61 ILE CA C 91 62.500 65.258 -2.758 1
1 724 . 12 1 1 A 61 61 ILE CB C 91 35.400 37.437 -2.037 1
1 728 . 12 1 1 A 61 61 ILE N N 91 118.400 119.346 -0.946 1
1 729 . 12 1 1 A 62 62 ILE H H 92 7.930 8.092 -0.162 1
1 730 . 12 1 1 A 62 62 ILE HA H 92 3.620 3.473 0.147 1
1 740 . 12 1 1 A 62 62 ILE C C 92 175.000 177.925 -2.925 1
1 741 . 12 1 1 A 62 62 ILE CA C 92 62.800 65.608 -2.808 1
1 742 . 12 1 1 A 62 62 ILE CB C 92 34.600 37.808 -3.208 1
1 746 . 12 1 1 A 62 62 ILE N N 92 121.800 120.797 1.003 1
1 747 . 12 1 1 A 63 63 LEU H H 93 8.250 8.145 0.105 1
1 748 . 12 1 1 A 63 63 LEU HA H 93 3.880 3.848 0.032 1
1 758 . 12 1 1 A 63 63 LEU C C 93 175.900 178.954 -3.054 1
1 759 . 12 1 1 A 63 63 LEU CA C 93 55.800 58.424 -2.624 1
1 760 . 12 1 1 A 63 63 LEU CB C 93 39.100 41.802 -2.702 1
1 764 . 12 1 1 A 63 63 LEU N N 93 119.800 121.212 -1.412 1
1 765 . 12 1 1 A 64 64 HIS H H 94 8.330 8.685 -0.355 1
1 766 . 12 1 1 A 64 64 HIS HA H 94 4.290 4.196 0.094 1
1 770 . 12 1 1 A 64 64 HIS C C 94 175.200 177.197 -1.997 1
1 771 . 12 1 1 A 64 64 HIS CA C 94 56.000 59.870 -3.870 1
1 772 . 12 1 1 A 64 64 HIS CB C 94 25.900 29.585 -3.685 1
1 775 . 12 1 1 A 64 64 HIS N N 94 114.700 118.605 -3.905 1
1 776 . 12 1 1 A 65 65 SER H H 95 8.150 8.381 -0.231 1
1 777 . 12 1 1 A 65 65 SER HA H 95 4.250 4.081 0.169 1
1 779 . 12 1 1 A 65 65 SER C C 95 172.500 176.569 -4.069 1
1 780 . 12 1 1 A 65 65 SER CA C 95 59.900 61.918 -2.018 1
1 781 . 12 1 1 A 65 65 SER CB C 95 60.500 62.727 -2.227 1
1 782 . 12 1 1 A 65 65 SER N N 95 116.200 115.267 0.933 1
1 783 . 12 1 1 A 66 66 ALA H H 96 8.220 8.261 -0.041 1
1 784 . 12 1 1 A 66 66 ALA HA H 96 4.080 4.343 -0.263 1
1 788 . 12 1 1 A 66 66 ALA C C 96 176.400 179.896 -3.496 1
1 789 . 12 1 1 A 66 66 ALA CA C 96 52.600 55.158 -2.558 1
1 790 . 12 1 1 A 66 66 ALA CB C 96 15.600 18.114 -2.514 1
1 791 . 12 1 1 A 66 66 ALA N N 96 123.500 123.695 -0.195 1
1 792 . 12 1 1 A 67 67 LEU H H 97 7.870 8.643 -0.773 1
1 793 . 12 1 1 A 67 67 LEU HA H 97 3.980 3.986 -0.006 1
1 803 . 12 1 1 A 67 67 LEU C C 97 176.700 178.968 -2.268 1
1 804 . 12 1 1 A 67 67 LEU CA C 97 55.000 57.876 -2.876 1
1 805 . 12 1 1 A 67 67 LEU CB C 97 38.700 42.088 -3.388 1
1 809 . 12 1 1 A 67 67 LEU N N 97 115.800 118.951 -3.151 1
1 810 . 12 1 1 A 68 68 TYR H H 98 7.830 8.644 -0.814 1
1 811 . 12 1 1 A 68 68 TYR HA H 98 4.320 4.170 0.150 1
1 816 . 12 1 1 A 68 68 TYR C C 98 174.900 177.424 -2.524 1
1 817 . 12 1 1 A 68 68 TYR CA C 98 58.200 61.906 -3.706 1
1 818 . 12 1 1 A 68 68 TYR CB C 98 35.500 38.593 -3.093 1
1 821 . 12 1 1 A 68 68 TYR N N 98 120.300 119.040 1.260 1
1 822 . 12 1 1 A 69 69 PHE H H 99 8.110 8.658 -0.548 1
1 823 . 12 1 1 A 69 69 PHE HA H 99 4.200 4.312 -0.112 1
1 828 . 12 1 1 A 69 69 PHE C C 99 173.600 177.354 -3.754 1
1 829 . 12 1 1 A 69 69 PHE CA C 99 58.400 61.513 -3.113 1
1 830 . 12 1 1 A 69 69 PHE CB C 99 36.100 39.258 -3.158 1
1 834 . 12 1 1 A 69 69 PHE N N 99 117.600 120.954 -3.354 1
1 835 . 12 1 1 A 70 70 LYS H H 100 8.030 8.627 -0.597 1
1 836 . 12 1 1 A 70 70 LYS HA H 100 3.800 3.973 -0.173 1
1 843 . 12 1 1 A 70 70 LYS C C 100 175.700 178.264 -2.564 1
1 844 . 12 1 1 A 70 70 LYS CA C 100 57.300 58.925 -1.625 1
1 845 . 12 1 1 A 70 70 LYS CB C 100 29.500 32.239 -2.739 1
1 849 . 12 1 1 A 70 70 LYS N N 100 118.300 118.297 0.003 1
1 850 . 12 1 1 A 71 71 TYR H H 101 7.720 8.200 -0.480 1
1 851 . 12 1 1 A 71 71 TYR HA H 101 4.210 4.093 0.117 1
1 856 . 12 1 1 A 71 71 TYR C C 101 175.300 177.464 -2.164 1
1 857 . 12 1 1 A 71 71 TYR CA C 101 57.800 61.349 -3.549 1
1 858 . 12 1 1 A 71 71 TYR CB C 101 34.700 38.565 -3.865 1
1 861 . 12 1 1 A 71 71 TYR N N 101 119.600 121.323 -1.723 1
1 862 . 12 1 1 A 72 72 LEU H H 102 7.950 8.304 -0.354 1
1 863 . 12 1 1 A 72 72 LEU HA H 102 3.800 3.726 0.074 1
1 870 . 12 1 1 A 72 72 LEU C C 102 176.300 179.037 -2.737 1
1 871 . 12 1 1 A 72 72 LEU CA C 102 55.100 58.105 -3.005 1
1 872 . 12 1 1 A 72 72 LEU CB C 102 39.500 41.818 -2.318 1
1 876 . 12 1 1 A 72 72 LEU N N 102 121.000 120.975 0.025 1
1 877 . 12 1 1 A 73 73 LEU H H 103 7.870 7.913 -0.043 1
1 878 . 12 1 1 A 73 73 LEU HA H 103 4.030 4.083 -0.053 1
1 888 . 12 1 1 A 73 73 LEU C C 103 176.200 178.651 -2.451 1
1 889 . 12 1 1 A 73 73 LEU CA C 103 54.500 58.064 -3.564 1
1 890 . 12 1 1 A 73 73 LEU CB C 103 39.200 41.206 -2.006 1
1 894 . 12 1 1 A 73 73 LEU N N 103 116.900 118.018 -1.118 1
1 895 . 12 1 1 A 74 74 SER H H 104 7.780 8.192 -0.412 1
1 896 . 12 1 1 A 74 74 SER HA H 104 4.230 3.997 0.233 1
1 898 . 12 1 1 A 74 74 SER C C 104 172.800 176.840 -4.040 1
1 899 . 12 1 1 A 74 74 SER CA C 104 57.900 61.182 -3.282 1
1 900 . 12 1 1 A 74 74 SER CB C 104 60.800 62.915 -2.115 1
1 901 . 12 1 1 A 74 74 SER N N 104 113.200 115.060 -1.860 1
1 902 . 12 1 1 A 75 75 ASN H H 105 7.720 7.326 0.394 1
1 903 . 12 1 1 A 75 75 ASN HA H 105 4.530 4.401 0.129 1
1 906 . 12 1 1 A 75 75 ASN C C 105 173.100 177.320 -4.220 1
1 907 . 12 1 1 A 75 75 ASN CA C 105 51.800 55.836 -4.036 1
1 908 . 12 1 1 A 75 75 ASN CB C 105 36.600 38.154 -1.554 1
1 909 . 12 1 1 A 75 75 ASN N N 105 118.400 119.141 -0.741 1
1 910 . 12 1 1 A 76 76 TYR H H 106 7.720 7.609 0.111 1
1 911 . 12 1 1 A 76 76 TYR HA H 106 4.380 4.365 0.015 1
1 916 . 12 1 1 A 76 76 TYR C C 106 173.000 176.082 -3.082 1
1 917 . 12 1 1 A 76 76 TYR CA C 106 56.700 59.164 -2.464 1
1 918 . 12 1 1 A 76 76 TYR CB C 106 36.100 38.077 -1.977 1
1 921 . 12 1 1 A 76 76 TYR N N 106 118.900 118.270 0.630 1
1 922 . 12 1 1 A 77 77 SER H H 107 7.650 7.901 -0.251 1
1 923 . 12 1 1 A 77 77 SER HA H 107 4.330 4.623 -0.293 1
1 926 . 12 1 1 A 77 77 SER C C 107 171.800 172.226 -0.426 1
1 927 . 12 1 1 A 77 77 SER CA C 107 55.800 57.315 -1.515 1
1 928 . 12 1 1 A 77 77 SER CB C 107 61.400 65.311 -3.911 1
1 929 . 12 1 1 A 77 77 SER N N 107 114.300 111.483 2.817 1
1 930 . 12 1 1 A 78 78 SER H H 108 7.940 8.720 -0.780 1
1 931 . 12 1 1 A 78 78 SER HA H 108 4.440 5.264 -0.824 1
1 933 . 12 1 1 A 78 78 SER C C 108 171.900 173.943 -2.043 1
1 934 . 12 1 1 A 78 78 SER CA C 108 55.800 56.427 -0.627 1
1 935 . 12 1 1 A 78 78 SER CB C 108 61.200 65.183 -3.983 1
1 936 . 12 1 1 A 78 78 SER N N 108 116.600 118.618 -2.018 1
1 937 . 12 1 1 A 79 79 VAL H H 109 7.850 8.721 -0.871 1
1 938 . 12 1 1 A 79 79 VAL HA H 109 4.170 4.802 -0.632 1
1 943 . 12 1 1 A 79 79 VAL C C 109 172.900 174.106 -1.206 1
1 944 . 12 1 1 A 79 79 VAL CA C 109 59.900 60.279 -0.379 1
1 945 . 12 1 1 A 79 79 VAL CB C 109 29.900 33.821 -3.921 1
1 948 . 12 1 1 A 79 79 VAL N N 109 120.200 117.762 2.438 1
1 3 . 13 1 1 A 2 2 ASN HA H 32 4.710 5.478 -0.768 1
1 6 . 13 1 1 A 2 2 ASN CA C 32 50.800 52.151 -1.351 1
1 7 . 13 1 1 A 2 2 ASN CB C 32 36.400 43.003 -6.603 1
1 8 . 13 1 1 A 3 3 GLY H H 33 8.470 8.405 0.065 1
1 9 . 13 1 1 A 3 3 GLY HA2 H 33 3.890 4.103 -0.213 1
1 10 . 13 1 1 A 3 3 GLY HA3 H 33 3.990 4.106 -0.116 1
1 11 . 13 1 1 A 3 3 GLY C C 33 171.500 171.625 -0.125 1
1 12 . 13 1 1 A 3 3 GLY CA C 33 42.900 44.412 -1.512 1
1 13 . 13 1 1 A 3 3 GLY N N 33 109.300 108.217 1.083 1
1 14 . 13 1 1 A 4 4 SER H H 34 8.020 8.477 -0.457 1
1 15 . 13 1 1 A 4 4 SER HA H 34 4.480 5.094 -0.614 1
1 17 . 13 1 1 A 4 4 SER C C 34 171.700 173.777 -2.077 1
1 18 . 13 1 1 A 4 4 SER CA C 34 55.600 56.303 -0.703 1
1 19 . 13 1 1 A 4 4 SER CB C 34 61.400 66.672 -5.272 1
1 20 . 13 1 1 A 4 4 SER N N 34 115.200 112.735 2.465 1
1 21 . 13 1 1 A 5 5 THR H H 35 8.030 8.971 -0.941 1
1 22 . 13 1 1 A 5 5 THR HA H 35 4.300 3.937 0.363 1
1 27 . 13 1 1 A 5 5 THR C C 35 171.400 173.775 -2.375 1
1 28 . 13 1 1 A 5 5 THR CA C 35 59.500 62.820 -3.320 1
1 29 . 13 1 1 A 5 5 THR CB C 35 67.200 67.610 -0.410 1
1 31 . 13 1 1 A 5 5 THR N N 35 115.600 114.232 1.368 1
1 32 . 13 1 1 A 6 6 ILE H H 36 7.850 7.880 -0.030 1
1 33 . 13 1 1 A 6 6 ILE HA H 36 4.260 4.117 0.143 1
1 43 . 13 1 1 A 6 6 ILE C C 36 171.900 176.136 -4.236 1
1 44 . 13 1 1 A 6 6 ILE CA C 36 58.200 61.555 -3.355 1
1 45 . 13 1 1 A 6 6 ILE CB C 36 36.500 38.421 -1.921 1
1 49 . 13 1 1 A 6 6 ILE N N 36 122.000 122.198 -0.198 1
1 50 . 13 1 1 A 7 7 THR H H 37 7.680 8.284 -0.604 1
1 51 . 13 1 1 A 7 7 THR HA H 37 4.570 4.383 0.187 1
1 56 . 13 1 1 A 7 7 THR C C 37 172.800 175.643 -2.843 1
1 57 . 13 1 1 A 7 7 THR CA C 37 57.400 62.682 -5.282 1
1 58 . 13 1 1 A 7 7 THR CB C 37 68.700 70.025 -1.325 1
1 60 . 13 1 1 A 7 7 THR N N 37 114.700 119.011 -4.311 1
1 61 . 13 1 1 A 8 8 PHE H H 38 8.830 9.105 -0.275 1
1 62 . 13 1 1 A 8 8 PHE HA H 38 4.250 4.444 -0.194 1
1 67 . 13 1 1 A 8 8 PHE C C 38 174.700 177.420 -2.720 1
1 68 . 13 1 1 A 8 8 PHE CA C 38 58.400 61.421 -3.021 1
1 69 . 13 1 1 A 8 8 PHE CB C 38 36.000 38.216 -2.216 1
1 73 . 13 1 1 A 8 8 PHE N N 38 120.900 123.383 -2.483 1
1 74 . 13 1 1 A 9 9 ASP H H 39 8.400 8.469 -0.069 1
1 75 . 13 1 1 A 9 9 ASP HA H 39 4.280 4.365 -0.085 1
1 77 . 13 1 1 A 9 9 ASP C C 39 176.100 178.221 -2.121 1
1 78 . 13 1 1 A 9 9 ASP CA C 39 54.500 57.376 -2.876 1
1 79 . 13 1 1 A 9 9 ASP CB C 39 37.800 41.246 -3.446 1
1 80 . 13 1 1 A 9 9 ASP N N 39 117.400 121.586 -4.186 1
1 81 . 13 1 1 A 10 10 GLU H H 40 7.740 8.262 -0.522 1
1 82 . 13 1 1 A 10 10 GLU HA H 40 4.090 4.098 -0.008 1
1 86 . 13 1 1 A 10 10 GLU C C 40 176.100 179.175 -3.075 1
1 87 . 13 1 1 A 10 10 GLU CA C 40 55.700 59.062 -3.362 1
1 88 . 13 1 1 A 10 10 GLU CB C 40 26.800 29.415 -2.615 1
1 90 . 13 1 1 A 10 10 GLU N N 40 118.800 117.666 1.134 1
1 91 . 13 1 1 A 11 11 LEU H H 41 7.770 8.277 -0.507 1
1 92 . 13 1 1 A 11 11 LEU HA H 41 4.040 3.911 0.129 1
1 102 . 13 1 1 A 11 11 LEU C C 41 175.500 179.144 -3.644 1
1 103 . 13 1 1 A 11 11 LEU CA C 41 54.600 57.811 -3.211 1
1 104 . 13 1 1 A 11 11 LEU CB C 41 39.200 41.270 -2.070 1
1 108 . 13 1 1 A 11 11 LEU N N 41 119.500 121.299 -1.799 1
1 109 . 13 1 1 A 12 12 GLN H H 42 8.070 8.762 -0.692 1
1 110 . 13 1 1 A 12 12 GLN HA H 42 3.770 4.056 -0.286 1
1 114 . 13 1 1 A 12 12 GLN C C 42 175.400 179.440 -4.040 1
1 115 . 13 1 1 A 12 12 GLN CA C 42 56.500 58.913 -2.413 1
1 116 . 13 1 1 A 12 12 GLN CB C 42 25.800 28.434 -2.634 1
1 118 . 13 1 1 A 12 12 GLN N N 42 116.800 116.483 0.317 1
1 119 . 13 1 1 A 13 13 GLY H H 43 7.810 8.416 -0.606 1
1 120 . 13 1 1 A 13 13 GLY HA2 H 43 3.850 3.719 0.131 1
1 121 . 13 1 1 A 13 13 GLY HA3 H 43 3.910 3.721 0.189 1
1 122 . 13 1 1 A 13 13 GLY C C 43 173.000 176.179 -3.179 1
1 123 . 13 1 1 A 13 13 GLY CA C 43 43.800 47.365 -3.565 1
1 124 . 13 1 1 A 13 13 GLY N N 43 105.400 109.266 -3.866 1
1 125 . 13 1 1 A 14 14 LEU H H 44 7.650 8.433 -0.783 1
1 126 . 13 1 1 A 14 14 LEU HA H 44 4.210 4.006 0.204 1
1 136 . 13 1 1 A 14 14 LEU C C 44 176.000 179.080 -3.080 1
1 137 . 13 1 1 A 14 14 LEU CA C 44 54.200 57.998 -3.798 1
1 138 . 13 1 1 A 14 14 LEU CB C 44 40.000 42.027 -2.027 1
1 142 . 13 1 1 A 14 14 LEU N N 44 120.900 123.186 -2.286 1
1 143 . 13 1 1 A 15 15 VAL H H 45 7.760 8.313 -0.553 1
1 144 . 13 1 1 A 15 15 VAL HA H 45 3.740 3.838 -0.098 1
1 152 . 13 1 1 A 15 15 VAL C C 45 173.100 177.493 -4.393 1
1 153 . 13 1 1 A 15 15 VAL CA C 45 61.800 64.907 -3.107 1
1 154 . 13 1 1 A 15 15 VAL CB C 45 29.100 31.424 -2.324 1
1 157 . 13 1 1 A 15 15 VAL N N 45 117.200 118.577 -1.377 1
1 158 . 13 1 1 A 16 16 ASN H H 46 7.820 8.070 -0.250 1
1 159 . 13 1 1 A 16 16 ASN HA H 46 4.600 4.564 0.036 1
1 161 . 13 1 1 A 16 16 ASN CA C 46 51.400 55.892 -4.492 1
1 162 . 13 1 1 A 16 16 ASN CB C 46 36.000 39.144 -3.144 1
1 163 . 13 1 1 A 16 16 ASN N N 46 118.400 121.049 -2.649 1
1 164 . 13 1 1 A 17 17 SER H H 47 8.160 7.793 0.367 1
1 165 . 13 1 1 A 17 17 SER HA H 47 4.380 4.694 -0.314 1
1 168 . 13 1 1 A 17 17 SER CA C 47 57.900 57.314 0.586 1
1 169 . 13 1 1 A 17 17 SER CB C 47 61.000 63.213 -2.213 1
1 170 . 13 1 1 A 18 18 THR H H 48 8.130 8.003 0.127 1
1 171 . 13 1 1 A 18 18 THR HA H 48 3.990 4.560 -0.570 1
1 176 . 13 1 1 A 18 18 THR C C 48 173.800 175.039 -1.239 1
1 177 . 13 1 1 A 18 18 THR CA C 48 63.500 63.943 -0.443 1
1 178 . 13 1 1 A 18 18 THR CB C 48 66.000 70.586 -4.586 1
1 180 . 13 1 1 A 18 18 THR N N 48 118.300 117.648 0.652 1
1 181 . 13 1 1 A 19 19 VAL H H 49 8.100 8.374 -0.274 1
1 182 . 13 1 1 A 19 19 VAL HA H 49 3.640 3.790 -0.150 1
1 190 . 13 1 1 A 19 19 VAL C C 49 174.700 177.956 -3.256 1
1 191 . 13 1 1 A 19 19 VAL CA C 49 64.000 65.164 -1.164 1
1 192 . 13 1 1 A 19 19 VAL CB C 49 29.000 31.375 -2.375 1
1 195 . 13 1 1 A 19 19 VAL N N 49 120.800 121.412 -0.612 1
1 196 . 13 1 1 A 20 20 THR H H 50 7.830 8.183 -0.353 1
1 197 . 13 1 1 A 20 20 THR HA H 50 3.740 3.915 -0.175 1
1 202 . 13 1 1 A 20 20 THR C C 50 173.800 176.866 -3.066 1
1 203 . 13 1 1 A 20 20 THR CA C 50 64.400 65.254 -0.854 1
1 204 . 13 1 1 A 20 20 THR CB C 50 65.500 68.637 -3.137 1
1 206 . 13 1 1 A 20 20 THR N N 50 114.000 116.137 -2.137 1
1 207 . 13 1 1 A 21 21 GLN H H 51 7.920 8.015 -0.095 1
1 208 . 13 1 1 A 21 21 GLN HA H 51 3.970 4.091 -0.121 1
1 211 . 13 1 1 A 21 21 GLN C C 51 175.900 178.173 -2.273 1
1 212 . 13 1 1 A 21 21 GLN CA C 51 56.300 58.269 -1.969 1
1 213 . 13 1 1 A 21 21 GLN CB C 51 25.700 29.055 -3.355 1
1 215 . 13 1 1 A 21 21 GLN N N 51 118.400 120.378 -1.978 1
1 216 . 13 1 1 A 22 22 ALA H H 52 7.960 7.877 0.083 1
1 217 . 13 1 1 A 22 22 ALA HA H 52 4.160 4.173 -0.013 1
1 221 . 13 1 1 A 22 22 ALA C C 52 176.800 180.136 -3.336 1
1 222 . 13 1 1 A 22 22 ALA CA C 52 52.800 55.324 -2.524 1
1 223 . 13 1 1 A 22 22 ALA CB C 52 15.700 18.406 -2.706 1
1 224 . 13 1 1 A 22 22 ALA N N 52 122.200 122.108 0.092 1
1 225 . 13 1 1 A 23 23 ILE H H 53 8.100 8.090 0.010 1
1 226 . 13 1 1 A 23 23 ILE HA H 53 3.660 3.737 -0.077 1
1 236 . 13 1 1 A 23 23 ILE C C 53 175.300 178.340 -3.040 1
1 237 . 13 1 1 A 23 23 ILE CA C 53 62.700 65.265 -2.565 1
1 238 . 13 1 1 A 23 23 ILE CB C 53 35.100 38.140 -3.040 1
1 242 . 13 1 1 A 23 23 ILE N N 53 117.500 118.877 -1.377 1
1 243 . 13 1 1 A 24 24 LEU H H 54 8.160 7.896 0.264 1
1 244 . 13 1 1 A 24 24 LEU HA H 54 3.970 3.965 0.005 1
1 254 . 13 1 1 A 24 24 LEU C C 54 176.600 179.050 -2.450 1
1 255 . 13 1 1 A 24 24 LEU CA C 54 55.500 58.310 -2.810 1
1 256 . 13 1 1 A 24 24 LEU CB C 54 38.700 42.099 -3.399 1
1 260 . 13 1 1 A 24 24 LEU N N 54 118.900 118.905 -0.005 1
1 261 . 13 1 1 A 25 25 PHE H H 55 8.200 8.843 -0.643 1
1 262 . 13 1 1 A 25 25 PHE HA H 55 4.240 4.169 0.071 1
1 267 . 13 1 1 A 25 25 PHE C C 55 176.300 177.878 -1.578 1
1 268 . 13 1 1 A 25 25 PHE CA C 55 58.500 61.391 -2.891 1
1 269 . 13 1 1 A 25 25 PHE CB C 55 36.300 39.123 -2.823 1
1 273 . 13 1 1 A 25 25 PHE N N 55 119.100 118.697 0.403 1
1 274 . 13 1 1 A 26 26 GLY H H 56 8.570 9.107 -0.537 1
1 275 . 13 1 1 A 26 26 GLY HA2 H 56 3.580 3.905 -0.325 1
1 276 . 13 1 1 A 26 26 GLY HA3 H 56 3.670 4.071 -0.401 1
1 277 . 13 1 1 A 26 26 GLY C C 56 172.200 176.074 -3.874 1
1 278 . 13 1 1 A 26 26 GLY CA C 56 44.900 47.209 -2.309 1
1 279 . 13 1 1 A 26 26 GLY N N 56 108.900 106.848 2.052 1
1 280 . 13 1 1 A 27 27 VAL H H 57 8.550 8.460 0.090 1
1 281 . 13 1 1 A 27 27 VAL HA H 57 3.640 3.735 -0.095 1
1 289 . 13 1 1 A 27 27 VAL C C 57 175.000 177.663 -2.663 1
1 290 . 13 1 1 A 27 27 VAL CA C 57 63.800 65.966 -2.166 1
1 291 . 13 1 1 A 27 27 VAL CB C 57 29.000 31.663 -2.663 1
1 294 . 13 1 1 A 27 27 VAL N N 57 120.000 122.376 -2.376 1
1 295 . 13 1 1 A 28 28 ARG H H 58 8.030 8.300 -0.270 1
1 296 . 13 1 1 A 28 28 ARG HA H 58 4.020 3.931 0.089 1
1 301 . 13 1 1 A 28 28 ARG C C 58 176.700 179.030 -2.330 1
1 302 . 13 1 1 A 28 28 ARG CA C 58 56.700 59.719 -3.019 1
1 303 . 13 1 1 A 28 28 ARG CB C 58 27.600 29.776 -2.176 1
1 306 . 13 1 1 A 28 28 ARG N N 58 118.300 119.409 -1.109 1
1 307 . 13 1 1 A 29 29 SER H H 59 8.020 8.249 -0.229 1
1 308 . 13 1 1 A 29 29 SER HA H 59 4.280 3.744 0.536 1
1 310 . 13 1 1 A 29 29 SER C C 59 173.300 176.540 -3.240 1
1 311 . 13 1 1 A 29 29 SER CA C 59 58.200 62.187 -3.987 1
1 312 . 13 1 1 A 29 29 SER CB C 59 60.700 61.932 -1.232 1
1 313 . 13 1 1 A 29 29 SER N N 59 114.700 117.105 -2.405 1
1 314 . 13 1 1 A 30 30 GLY H H 60 8.310 8.522 -0.212 1
1 315 . 13 1 1 A 30 30 GLY HA2 H 60 3.630 3.860 -0.230 1
1 316 . 13 1 1 A 30 30 GLY HA3 H 60 3.750 3.950 -0.200 1
1 317 . 13 1 1 A 30 30 GLY C C 60 171.900 176.121 -4.221 1
1 318 . 13 1 1 A 30 30 GLY CA C 60 44.500 47.366 -2.866 1
1 319 . 13 1 1 A 30 30 GLY N N 60 109.700 109.463 0.237 1
1 320 . 13 1 1 A 31 31 ALA H H 61 8.330 7.981 0.349 1
1 321 . 13 1 1 A 31 31 ALA HA H 61 3.970 4.066 -0.096 1
1 325 . 13 1 1 A 31 31 ALA C C 61 177.200 179.598 -2.398 1
1 326 . 13 1 1 A 31 31 ALA CA C 61 52.900 54.728 -1.828 1
1 327 . 13 1 1 A 31 31 ALA CB C 61 15.500 18.309 -2.809 1
1 328 . 13 1 1 A 31 31 ALA N N 61 122.700 125.189 -2.489 1
1 329 . 13 1 1 A 32 32 ALA H H 62 7.860 8.157 -0.297 1
1 330 . 13 1 1 A 32 32 ALA HA H 62 4.120 3.979 0.141 1
1 334 . 13 1 1 A 32 32 ALA C C 62 177.400 179.660 -2.260 1
1 335 . 13 1 1 A 32 32 ALA CA C 62 52.200 54.872 -2.672 1
1 336 . 13 1 1 A 32 32 ALA CB C 62 15.600 18.073 -2.473 1
1 337 . 13 1 1 A 32 32 ALA N N 62 120.400 119.911 0.489 1
1 338 . 13 1 1 A 33 33 ALA H H 63 7.920 8.228 -0.308 1
1 339 . 13 1 1 A 33 33 ALA HA H 63 4.070 3.908 0.162 1
1 343 . 13 1 1 A 33 33 ALA C C 63 176.200 179.449 -3.249 1
1 344 . 13 1 1 A 33 33 ALA CA C 63 52.100 54.937 -2.837 1
1 345 . 13 1 1 A 33 33 ALA CB C 63 15.800 18.317 -2.517 1
1 346 . 13 1 1 A 33 33 ALA N N 63 120.100 120.732 -0.632 1
1 347 . 13 1 1 A 34 34 LEU H H 64 8.090 8.140 -0.050 1
1 348 . 13 1 1 A 34 34 LEU HA H 64 3.980 4.101 -0.121 1
1 358 . 13 1 1 A 34 34 LEU C C 64 175.900 178.690 -2.790 1
1 359 . 13 1 1 A 34 34 LEU CA C 64 55.500 57.510 -2.010 1
1 360 . 13 1 1 A 34 34 LEU CB C 64 39.100 41.706 -2.606 1
1 364 . 13 1 1 A 34 34 LEU N N 64 116.400 120.003 -3.603 1
1 365 . 13 1 1 A 35 35 THR H H 65 7.860 8.143 -0.283 1
1 366 . 13 1 1 A 35 35 THR HA H 65 3.770 3.963 -0.193 1
1 371 . 13 1 1 A 35 35 THR C C 65 173.100 176.569 -3.469 1
1 372 . 13 1 1 A 35 35 THR CA C 65 64.600 65.117 -0.517 1
1 373 . 13 1 1 A 35 35 THR CB C 65 66.000 68.673 -2.673 1
1 375 . 13 1 1 A 35 35 THR N N 65 113.500 114.296 -0.796 1
1 376 . 13 1 1 A 36 36 LEU H H 66 7.430 7.797 -0.367 1
1 377 . 13 1 1 A 36 36 LEU HA H 66 4.000 3.859 0.141 1
1 387 . 13 1 1 A 36 36 LEU C C 66 176.800 179.001 -2.201 1
1 388 . 13 1 1 A 36 36 LEU CA C 66 55.500 57.968 -2.468 1
1 389 . 13 1 1 A 36 36 LEU CB C 66 39.200 41.069 -1.869 1
1 393 . 13 1 1 A 36 36 LEU N N 66 120.200 119.718 0.482 1
1 394 . 13 1 1 A 37 37 ILE H H 67 7.750 8.098 -0.348 1
1 395 . 13 1 1 A 37 37 ILE HA H 67 3.800 3.661 0.139 1
1 405 . 13 1 1 A 37 37 ILE C C 67 175.000 177.742 -2.742 1
1 406 . 13 1 1 A 37 37 ILE CA C 67 62.600 64.991 -2.391 1
1 407 . 13 1 1 A 37 37 ILE CB C 67 35.300 37.773 -2.473 1
1 411 . 13 1 1 A 37 37 ILE N N 67 119.600 119.457 0.143 1
1 412 . 13 1 1 A 38 38 VAL H H 68 8.250 8.145 0.105 1
1 413 . 13 1 1 A 38 38 VAL HA H 68 3.590 3.855 -0.265 1
1 421 . 13 1 1 A 38 38 VAL C C 68 176.600 178.025 -1.425 1
1 422 . 13 1 1 A 38 38 VAL CA C 68 65.000 65.677 -0.677 1
1 423 . 13 1 1 A 38 38 VAL CB C 68 28.900 31.579 -2.679 1
1 426 . 13 1 1 A 38 38 VAL N N 68 119.600 116.799 2.801 1
1 427 . 13 1 1 A 39 39 VAL H H 69 8.370 8.243 0.127 1
1 428 . 13 1 1 A 39 39 VAL HA H 69 3.620 3.834 -0.214 1
1 436 . 13 1 1 A 39 39 VAL C C 69 175.800 178.201 -2.401 1
1 437 . 13 1 1 A 39 39 VAL CA C 69 64.200 65.070 -0.870 1
1 438 . 13 1 1 A 39 39 VAL CB C 69 28.900 31.443 -2.543 1
1 441 . 13 1 1 A 39 39 VAL N N 69 121.700 122.783 -1.083 1
1 442 . 13 1 1 A 40 40 TRP H H 70 8.320 8.215 0.105 1
1 443 . 13 1 1 A 40 40 TRP HA H 70 4.150 4.425 -0.275 1
1 449 . 13 1 1 A 40 40 TRP C C 70 176.600 179.110 -2.510 1
1 450 . 13 1 1 A 40 40 TRP CA C 70 59.700 59.852 -0.152 1
1 451 . 13 1 1 A 40 40 TRP CB C 70 26.400 29.281 -2.881 1
1 454 . 13 1 1 A 40 40 TRP N N 70 122.400 121.772 0.628 1
1 456 . 13 1 1 A 41 41 ILE H H 71 8.780 8.124 0.656 1
1 457 . 13 1 1 A 41 41 ILE HA H 71 3.510 3.754 -0.244 1
1 467 . 13 1 1 A 41 41 ILE C C 71 175.600 178.404 -2.804 1
1 468 . 13 1 1 A 41 41 ILE CA C 71 62.500 64.129 -1.629 1
1 469 . 13 1 1 A 41 41 ILE CB C 71 35.700 37.979 -2.279 1
1 473 . 13 1 1 A 41 41 ILE N N 71 117.500 120.424 -2.924 1
1 474 . 13 1 1 A 42 42 THR H H 72 8.280 8.450 -0.170 1
1 475 . 13 1 1 A 42 42 THR HA H 72 4.000 3.937 0.063 1
1 480 . 13 1 1 A 42 42 THR C C 72 173.800 177.020 -3.220 1
1 481 . 13 1 1 A 42 42 THR CA C 72 62.500 65.735 -3.235 1
1 482 . 13 1 1 A 42 42 THR CB C 72 66.500 68.980 -2.480 1
1 484 . 13 1 1 A 42 42 THR N N 72 110.700 114.575 -3.875 1
1 485 . 13 1 1 A 43 43 SER H H 73 7.810 8.153 -0.343 1
1 486 . 13 1 1 A 43 43 SER HA H 73 4.320 4.451 -0.131 1
1 488 . 13 1 1 A 43 43 SER C C 73 172.800 173.848 -1.048 1
1 489 . 13 1 1 A 43 43 SER CA C 73 57.600 58.992 -1.392 1
1 490 . 13 1 1 A 43 43 SER CB C 73 60.900 63.719 -2.819 1
1 491 . 13 1 1 A 43 43 SER N N 73 115.900 115.246 0.654 1
1 492 . 13 1 1 A 44 44 ARG H H 74 7.490 7.823 -0.333 1
1 493 . 13 1 1 A 44 44 ARG HA H 74 4.120 3.915 0.205 1
1 500 . 13 1 1 A 44 44 ARG C C 74 174.200 174.932 -0.732 1
1 501 . 13 1 1 A 44 44 ARG CA C 74 53.600 56.635 -3.035 1
1 502 . 13 1 1 A 44 44 ARG CB C 74 27.700 28.030 -0.330 1
1 505 . 13 1 1 A 44 44 ARG N N 74 120.100 118.371 1.729 1
1 506 . 13 1 1 A 45 45 SER H H 75 7.890 7.274 0.616 1
1 507 . 13 1 1 A 45 45 SER HA H 75 4.210 3.787 0.423 1
1 509 . 13 1 1 A 45 45 SER C C 75 172.300 174.937 -2.637 1
1 510 . 13 1 1 A 45 45 SER CA C 75 56.800 58.196 -1.396 1
1 511 . 13 1 1 A 45 45 SER CB C 75 60.900 62.895 -1.995 1
1 512 . 13 1 1 A 45 45 SER N N 75 114.400 113.055 1.345 1
1 513 . 13 1 1 A 46 46 ARG H H 76 7.850 8.559 -0.709 1
1 514 . 13 1 1 A 46 46 ARG HA H 76 4.220 4.041 0.179 1
1 519 . 13 1 1 A 46 46 ARG C C 76 173.500 176.318 -2.818 1
1 520 . 13 1 1 A 46 46 ARG CA C 76 53.900 58.982 -5.082 1
1 521 . 13 1 1 A 46 46 ARG CB C 76 27.800 30.548 -2.748 1
1 524 . 13 1 1 A 46 46 ARG N N 76 120.600 127.907 -7.307 1
1 525 . 13 1 1 A 47 47 LYS H H 77 7.900 8.025 -0.125 1
1 526 . 13 1 1 A 47 47 LYS HA H 77 4.320 4.546 -0.226 1
1 533 . 13 1 1 A 47 47 LYS C C 77 173.600 175.207 -1.607 1
1 534 . 13 1 1 A 47 47 LYS CA C 77 53.400 55.307 -1.907 1
1 535 . 13 1 1 A 47 47 LYS CB C 77 30.500 32.501 -2.001 1
1 539 . 13 1 1 A 47 47 LYS N N 77 119.100 119.289 -0.189 1
1 540 . 13 1 1 A 48 48 THR H H 78 7.840 8.662 -0.822 1
1 541 . 13 1 1 A 48 48 THR HA H 78 4.390 5.121 -0.731 1
1 546 . 13 1 1 A 48 48 THR C C 78 174.000 173.375 0.625 1
1 547 . 13 1 1 A 48 48 THR CA C 78 59.500 59.233 0.267 1
1 548 . 13 1 1 A 48 48 THR CB C 78 66.600 69.854 -3.254 1
1 550 . 13 1 1 A 48 48 THR N N 78 116.200 117.242 -1.042 1
1 551 . 13 1 1 A 49 49 PRO HA H 79 4.410 4.723 -0.313 1
1 557 . 13 1 1 A 49 49 PRO CA C 79 60.800 63.081 -2.281 1
1 558 . 13 1 1 A 49 49 PRO CB C 79 28.900 31.864 -2.964 1
1 561 . 13 1 1 A 50 50 ILE H H 80 7.850 8.572 -0.722 1
1 562 . 13 1 1 A 50 50 ILE HA H 80 3.880 3.848 0.032 1
1 572 . 13 1 1 A 50 50 ILE C C 80 173.500 177.617 -4.117 1
1 573 . 13 1 1 A 50 50 ILE CA C 80 59.800 64.297 -4.497 1
1 574 . 13 1 1 A 50 50 ILE CB C 80 35.600 37.709 -2.109 1
1 578 . 13 1 1 A 50 50 ILE N N 80 119.400 124.270 -4.870 1
1 579 . 13 1 1 A 51 51 PHE H H 81 7.730 8.428 -0.698 1
1 580 . 13 1 1 A 51 51 PHE HA H 81 4.500 4.129 0.371 1
1 585 . 13 1 1 A 51 51 PHE CA C 81 56.200 61.490 -5.290 1
1 586 . 13 1 1 A 51 51 PHE CB C 81 36.500 38.881 -2.381 1
1 590 . 13 1 1 A 51 51 PHE N N 81 118.900 123.805 -4.905 1
1 591 . 13 1 1 A 52 52 ILE H H 82 7.420 8.291 -0.871 1
1 592 . 13 1 1 A 52 52 ILE HA H 82 3.880 3.691 0.189 1
1 602 . 13 1 1 A 52 52 ILE C C 82 173.800 178.244 -4.444 1
1 603 . 13 1 1 A 52 52 ILE CA C 82 59.700 65.217 -5.517 1
1 604 . 13 1 1 A 52 52 ILE CB C 82 35.400 37.971 -2.571 1
1 608 . 13 1 1 A 52 52 ILE N N 82 118.000 120.349 -2.349 1
1 609 . 13 1 1 A 53 53 ILE H H 83 7.540 8.152 -0.612 1
1 610 . 13 1 1 A 53 53 ILE HA H 83 3.890 3.530 0.360 1
1 620 . 13 1 1 A 53 53 ILE C C 83 174.300 178.348 -4.048 1
1 621 . 13 1 1 A 53 53 ILE CA C 83 59.800 65.449 -5.649 1
1 622 . 13 1 1 A 53 53 ILE CB C 83 35.600 37.684 -2.084 1
1 626 . 13 1 1 A 53 53 ILE N N 83 119.300 120.581 -1.281 1
1 627 . 13 1 1 A 54 54 ASN H H 84 8.030 8.642 -0.612 1
1 628 . 13 1 1 A 54 54 ASN HA H 84 4.620 4.306 0.314 1
1 631 . 13 1 1 A 54 54 ASN CA C 84 51.500 56.880 -5.380 1
1 632 . 13 1 1 A 54 54 ASN CB C 84 36.500 39.607 -3.107 1
1 633 . 13 1 1 A 54 54 ASN N N 84 118.300 119.134 -0.834 1
1 634 . 13 1 1 A 55 55 GLN H H 85 8.040 8.098 -0.058 1
1 635 . 13 1 1 A 55 55 GLN HA H 85 4.210 3.949 0.261 1
1 639 . 13 1 1 A 55 55 GLN CA C 85 54.400 59.119 -4.719 1
1 640 . 13 1 1 A 55 55 GLN CB C 85 25.600 28.313 -2.713 1
1 642 . 13 1 1 A 56 56 VAL H H 86 7.720 8.388 -0.668 1
1 643 . 13 1 1 A 56 56 VAL HA H 86 3.800 3.613 0.187 1
1 651 . 13 1 1 A 56 56 VAL C C 86 174.200 178.125 -3.925 1
1 652 . 13 1 1 A 56 56 VAL CA C 86 62.700 66.833 -4.133 1
1 653 . 13 1 1 A 56 56 VAL CB C 86 29.100 31.592 -2.492 1
1 656 . 13 1 1 A 56 56 VAL N N 86 118.700 120.542 -1.842 1
1 657 . 13 1 1 A 57 57 SER H H 87 8.080 8.189 -0.109 1
1 658 . 13 1 1 A 57 57 SER HA H 87 4.200 4.080 0.120 1
1 660 . 13 1 1 A 57 57 SER C C 87 173.800 177.324 -3.524 1
1 661 . 13 1 1 A 57 57 SER CA C 87 58.400 61.766 -3.366 1
1 662 . 13 1 1 A 57 57 SER CB C 87 60.000 63.158 -3.158 1
1 663 . 13 1 1 A 57 57 SER N N 87 115.300 115.053 0.247 1
1 664 . 13 1 1 A 58 58 LEU H H 88 7.780 8.261 -0.481 1
1 665 . 13 1 1 A 58 58 LEU HA H 88 4.060 3.920 0.140 1
1 675 . 13 1 1 A 58 58 LEU CA C 88 55.300 57.985 -2.685 1
1 676 . 13 1 1 A 58 58 LEU CB C 88 39.200 41.973 -2.773 1
1 680 . 13 1 1 A 58 58 LEU N N 88 121.900 121.874 0.026 1
1 681 . 13 1 1 A 59 59 PHE H H 89 7.980 8.687 -0.707 1
1 682 . 13 1 1 A 59 59 PHE HA H 89 4.190 4.086 0.104 1
1 687 . 13 1 1 A 59 59 PHE C C 89 174.600 177.025 -2.425 1
1 688 . 13 1 1 A 59 59 PHE CA C 89 58.300 61.541 -3.241 1
1 689 . 13 1 1 A 59 59 PHE CB C 89 35.900 39.010 -3.110 1
1 693 . 13 1 1 A 59 59 PHE N N 89 117.100 119.376 -2.276 1
1 694 . 13 1 1 A 60 60 LEU H H 90 8.010 8.810 -0.800 1
1 695 . 13 1 1 A 60 60 LEU HA H 90 3.870 3.813 0.057 1
1 705 . 13 1 1 A 60 60 LEU C C 90 176.800 178.969 -2.169 1
1 706 . 13 1 1 A 60 60 LEU CA C 90 55.400 58.305 -2.905 1
1 707 . 13 1 1 A 60 60 LEU CB C 90 38.900 41.953 -3.053 1
1 711 . 13 1 1 A 60 60 LEU N N 90 117.700 119.595 -1.895 1
1 712 . 13 1 1 A 61 61 ILE H H 91 7.910 7.817 0.093 1
1 713 . 13 1 1 A 61 61 ILE HA H 91 3.790 3.481 0.309 1
1 723 . 13 1 1 A 61 61 ILE CA C 91 62.500 65.474 -2.974 1
1 724 . 13 1 1 A 61 61 ILE CB C 91 35.400 37.694 -2.294 1
1 728 . 13 1 1 A 61 61 ILE N N 91 118.400 119.201 -0.801 1
1 729 . 13 1 1 A 62 62 ILE H H 92 7.930 8.164 -0.234 1
1 730 . 13 1 1 A 62 62 ILE HA H 92 3.620 3.490 0.130 1
1 740 . 13 1 1 A 62 62 ILE C C 92 175.000 177.797 -2.797 1
1 741 . 13 1 1 A 62 62 ILE CA C 92 62.800 65.484 -2.684 1
1 742 . 13 1 1 A 62 62 ILE CB C 92 34.600 37.833 -3.233 1
1 746 . 13 1 1 A 62 62 ILE N N 92 121.800 120.397 1.403 1
1 747 . 13 1 1 A 63 63 LEU H H 93 8.250 8.153 0.097 1
1 748 . 13 1 1 A 63 63 LEU HA H 93 3.880 3.816 0.064 1
1 758 . 13 1 1 A 63 63 LEU C C 93 175.900 178.889 -2.989 1
1 759 . 13 1 1 A 63 63 LEU CA C 93 55.800 58.431 -2.631 1
1 760 . 13 1 1 A 63 63 LEU CB C 93 39.100 41.771 -2.671 1
1 764 . 13 1 1 A 63 63 LEU N N 93 119.800 121.515 -1.715 1
1 765 . 13 1 1 A 64 64 HIS H H 94 8.330 8.532 -0.202 1
1 766 . 13 1 1 A 64 64 HIS HA H 94 4.290 4.102 0.188 1
1 770 . 13 1 1 A 64 64 HIS C C 94 175.200 176.729 -1.529 1
1 771 . 13 1 1 A 64 64 HIS CA C 94 56.000 59.897 -3.897 1
1 772 . 13 1 1 A 64 64 HIS CB C 94 25.900 29.425 -3.525 1
1 775 . 13 1 1 A 64 64 HIS N N 94 114.700 118.925 -4.225 1
1 776 . 13 1 1 A 65 65 SER H H 95 8.150 8.651 -0.501 1
1 777 . 13 1 1 A 65 65 SER HA H 95 4.250 3.939 0.311 1
1 779 . 13 1 1 A 65 65 SER C C 95 172.500 177.371 -4.871 1
1 780 . 13 1 1 A 65 65 SER CA C 95 59.900 61.976 -2.076 1
1 781 . 13 1 1 A 65 65 SER CB C 95 60.500 63.029 -2.529 1
1 782 . 13 1 1 A 65 65 SER N N 95 116.200 114.072 2.128 1
1 783 . 13 1 1 A 66 66 ALA H H 96 8.220 8.246 -0.026 1
1 784 . 13 1 1 A 66 66 ALA HA H 96 4.080 4.288 -0.208 1
1 788 . 13 1 1 A 66 66 ALA C C 96 176.400 179.450 -3.050 1
1 789 . 13 1 1 A 66 66 ALA CA C 96 52.600 55.353 -2.753 1
1 790 . 13 1 1 A 66 66 ALA CB C 96 15.600 18.015 -2.415 1
1 791 . 13 1 1 A 66 66 ALA N N 96 123.500 123.841 -0.341 1
1 792 . 13 1 1 A 67 67 LEU H H 97 7.870 8.257 -0.387 1
1 793 . 13 1 1 A 67 67 LEU HA H 97 3.980 4.031 -0.051 1
1 803 . 13 1 1 A 67 67 LEU C C 97 176.700 177.947 -1.247 1
1 804 . 13 1 1 A 67 67 LEU CA C 97 55.000 58.100 -3.100 1
1 805 . 13 1 1 A 67 67 LEU CB C 97 38.700 41.489 -2.789 1
1 809 . 13 1 1 A 67 67 LEU N N 97 115.800 119.384 -3.584 1
1 810 . 13 1 1 A 68 68 TYR H H 98 7.830 8.794 -0.964 1
1 811 . 13 1 1 A 68 68 TYR HA H 98 4.320 4.229 0.091 1
1 816 . 13 1 1 A 68 68 TYR C C 98 174.900 177.426 -2.526 1
1 817 . 13 1 1 A 68 68 TYR CA C 98 58.200 61.886 -3.686 1
1 818 . 13 1 1 A 68 68 TYR CB C 98 35.500 38.603 -3.103 1
1 821 . 13 1 1 A 68 68 TYR N N 98 120.300 121.594 -1.294 1
1 822 . 13 1 1 A 69 69 PHE H H 99 8.110 8.447 -0.337 1
1 823 . 13 1 1 A 69 69 PHE HA H 99 4.200 4.224 -0.024 1
1 828 . 13 1 1 A 69 69 PHE C C 99 173.600 176.918 -3.318 1
1 829 . 13 1 1 A 69 69 PHE CA C 99 58.400 61.477 -3.077 1
1 830 . 13 1 1 A 69 69 PHE CB C 99 36.100 39.260 -3.160 1
1 834 . 13 1 1 A 69 69 PHE N N 99 117.600 121.176 -3.576 1
1 835 . 13 1 1 A 70 70 LYS H H 100 8.030 8.173 -0.143 1
1 836 . 13 1 1 A 70 70 LYS HA H 100 3.800 3.720 0.080 1
1 843 . 13 1 1 A 70 70 LYS C C 100 175.700 177.724 -2.024 1
1 844 . 13 1 1 A 70 70 LYS CA C 100 57.300 59.475 -2.175 1
1 845 . 13 1 1 A 70 70 LYS CB C 100 29.500 32.166 -2.666 1
1 849 . 13 1 1 A 70 70 LYS N N 100 118.300 118.647 -0.347 1
1 850 . 13 1 1 A 71 71 TYR H H 101 7.720 8.194 -0.474 1
1 851 . 13 1 1 A 71 71 TYR HA H 101 4.210 4.102 0.108 1
1 856 . 13 1 1 A 71 71 TYR C C 101 175.300 177.536 -2.236 1
1 857 . 13 1 1 A 71 71 TYR CA C 101 57.800 61.284 -3.484 1
1 858 . 13 1 1 A 71 71 TYR CB C 101 34.700 38.579 -3.879 1
1 861 . 13 1 1 A 71 71 TYR N N 101 119.600 121.291 -1.691 1
1 862 . 13 1 1 A 72 72 LEU H H 102 7.950 8.348 -0.398 1
1 863 . 13 1 1 A 72 72 LEU HA H 102 3.800 3.539 0.261 1
1 870 . 13 1 1 A 72 72 LEU C C 102 176.300 179.307 -3.007 1
1 871 . 13 1 1 A 72 72 LEU CA C 102 55.100 58.004 -2.904 1
1 872 . 13 1 1 A 72 72 LEU CB C 102 39.500 41.660 -2.160 1
1 876 . 13 1 1 A 72 72 LEU N N 102 121.000 120.770 0.230 1
1 877 . 13 1 1 A 73 73 LEU H H 103 7.870 8.012 -0.142 1
1 878 . 13 1 1 A 73 73 LEU HA H 103 4.030 4.135 -0.105 1
1 888 . 13 1 1 A 73 73 LEU C C 103 176.200 179.063 -2.863 1
1 889 . 13 1 1 A 73 73 LEU CA C 103 54.500 58.148 -3.648 1
1 890 . 13 1 1 A 73 73 LEU CB C 103 39.200 41.115 -1.915 1
1 894 . 13 1 1 A 73 73 LEU N N 103 116.900 117.949 -1.049 1
1 895 . 13 1 1 A 74 74 SER H H 104 7.780 8.332 -0.552 1
1 896 . 13 1 1 A 74 74 SER HA H 104 4.230 4.033 0.197 1
1 898 . 13 1 1 A 74 74 SER C C 104 172.800 176.858 -4.058 1
1 899 . 13 1 1 A 74 74 SER CA C 104 57.900 61.955 -4.055 1
1 900 . 13 1 1 A 74 74 SER CB C 104 60.800 62.815 -2.015 1
1 901 . 13 1 1 A 74 74 SER N N 104 113.200 116.922 -3.722 1
1 902 . 13 1 1 A 75 75 ASN H H 105 7.720 8.046 -0.326 1
1 903 . 13 1 1 A 75 75 ASN HA H 105 4.530 4.301 0.229 1
1 906 . 13 1 1 A 75 75 ASN C C 105 173.100 177.912 -4.812 1
1 907 . 13 1 1 A 75 75 ASN CA C 105 51.800 56.123 -4.323 1
1 908 . 13 1 1 A 75 75 ASN CB C 105 36.600 37.383 -0.783 1
1 909 . 13 1 1 A 75 75 ASN N N 105 118.400 120.421 -2.021 1
1 910 . 13 1 1 A 76 76 TYR H H 106 7.720 7.429 0.291 1
1 911 . 13 1 1 A 76 76 TYR HA H 106 4.380 4.380 0.000 1
1 916 . 13 1 1 A 76 76 TYR C C 106 173.000 176.665 -3.665 1
1 917 . 13 1 1 A 76 76 TYR CA C 106 56.700 59.645 -2.945 1
1 918 . 13 1 1 A 76 76 TYR CB C 106 36.100 38.283 -2.183 1
1 921 . 13 1 1 A 76 76 TYR N N 106 118.900 118.488 0.412 1
1 922 . 13 1 1 A 77 77 SER H H 107 7.650 7.283 0.367 1
1 923 . 13 1 1 A 77 77 SER HA H 107 4.330 4.726 -0.396 1
1 926 . 13 1 1 A 77 77 SER C C 107 171.800 172.863 -1.063 1
1 927 . 13 1 1 A 77 77 SER CA C 107 55.800 57.556 -1.756 1
1 928 . 13 1 1 A 77 77 SER CB C 107 61.400 65.526 -4.126 1
1 929 . 13 1 1 A 77 77 SER N N 107 114.300 112.436 1.864 1
1 930 . 13 1 1 A 78 78 SER H H 108 7.940 9.028 -1.088 1
1 931 . 13 1 1 A 78 78 SER HA H 108 4.440 5.311 -0.871 1
1 933 . 13 1 1 A 78 78 SER C C 108 171.900 173.587 -1.687 1
1 934 . 13 1 1 A 78 78 SER CA C 108 55.800 55.921 -0.121 1
1 935 . 13 1 1 A 78 78 SER CB C 108 61.200 66.399 -5.199 1
1 936 . 13 1 1 A 78 78 SER N N 108 116.600 120.383 -3.783 1
1 937 . 13 1 1 A 79 79 VAL H H 109 7.850 8.694 -0.844 1
1 938 . 13 1 1 A 79 79 VAL HA H 109 4.170 4.801 -0.631 1
1 943 . 13 1 1 A 79 79 VAL C C 109 172.900 174.393 -1.493 1
1 944 . 13 1 1 A 79 79 VAL CA C 109 59.900 59.904 -0.004 1
1 945 . 13 1 1 A 79 79 VAL CB C 109 29.900 35.160 -5.260 1
1 948 . 13 1 1 A 79 79 VAL N N 109 120.200 114.602 5.598 1
1 3 . 14 1 1 A 2 2 ASN HA H 32 4.710 4.958 -0.248 1
1 6 . 14 1 1 A 2 2 ASN CA C 32 50.800 52.122 -1.322 1
1 7 . 14 1 1 A 2 2 ASN CB C 32 36.400 39.910 -3.510 1
1 8 . 14 1 1 A 3 3 GLY H H 33 8.470 8.451 0.019 1
1 9 . 14 1 1 A 3 3 GLY HA2 H 33 3.890 4.144 -0.254 1
1 10 . 14 1 1 A 3 3 GLY HA3 H 33 3.990 4.146 -0.156 1
1 11 . 14 1 1 A 3 3 GLY C C 33 171.500 172.289 -0.789 1
1 12 . 14 1 1 A 3 3 GLY CA C 33 42.900 45.616 -2.716 1
1 13 . 14 1 1 A 3 3 GLY N N 33 109.300 109.005 0.295 1
1 14 . 14 1 1 A 4 4 SER H H 34 8.020 8.903 -0.883 1
1 15 . 14 1 1 A 4 4 SER HA H 34 4.480 4.933 -0.453 1
1 17 . 14 1 1 A 4 4 SER C C 34 171.700 173.715 -2.015 1
1 18 . 14 1 1 A 4 4 SER CA C 34 55.600 56.113 -0.513 1
1 19 . 14 1 1 A 4 4 SER CB C 34 61.400 66.521 -5.121 1
1 20 . 14 1 1 A 4 4 SER N N 34 115.200 119.296 -4.096 1
1 21 . 14 1 1 A 5 5 THR H H 35 8.030 8.982 -0.952 1
1 22 . 14 1 1 A 5 5 THR HA H 35 4.300 3.935 0.365 1
1 27 . 14 1 1 A 5 5 THR C C 35 171.400 173.743 -2.343 1
1 28 . 14 1 1 A 5 5 THR CA C 35 59.500 62.759 -3.259 1
1 29 . 14 1 1 A 5 5 THR CB C 35 67.200 67.481 -0.281 1
1 31 . 14 1 1 A 5 5 THR N N 35 115.600 119.927 -4.327 1
1 32 . 14 1 1 A 6 6 ILE H H 36 7.850 7.900 -0.050 1
1 33 . 14 1 1 A 6 6 ILE HA H 36 4.260 4.121 0.139 1
1 43 . 14 1 1 A 6 6 ILE C C 36 171.900 176.209 -4.309 1
1 44 . 14 1 1 A 6 6 ILE CA C 36 58.200 61.571 -3.371 1
1 45 . 14 1 1 A 6 6 ILE CB C 36 36.500 38.428 -1.928 1
1 49 . 14 1 1 A 6 6 ILE N N 36 122.000 122.193 -0.193 1
1 50 . 14 1 1 A 7 7 THR H H 37 7.680 8.229 -0.549 1
1 51 . 14 1 1 A 7 7 THR HA H 37 4.570 4.468 0.102 1
1 56 . 14 1 1 A 7 7 THR C C 37 172.800 175.987 -3.187 1
1 57 . 14 1 1 A 7 7 THR CA C 37 57.400 61.777 -4.377 1
1 58 . 14 1 1 A 7 7 THR CB C 37 68.700 70.368 -1.668 1
1 60 . 14 1 1 A 7 7 THR N N 37 114.700 117.655 -2.955 1
1 61 . 14 1 1 A 8 8 PHE H H 38 8.830 9.111 -0.281 1
1 62 . 14 1 1 A 8 8 PHE HA H 38 4.250 4.348 -0.098 1
1 67 . 14 1 1 A 8 8 PHE C C 38 174.700 177.511 -2.811 1
1 68 . 14 1 1 A 8 8 PHE CA C 38 58.400 61.182 -2.782 1
1 69 . 14 1 1 A 8 8 PHE CB C 38 36.000 38.353 -2.353 1
1 73 . 14 1 1 A 8 8 PHE N N 38 120.900 122.461 -1.561 1
1 74 . 14 1 1 A 9 9 ASP H H 39 8.400 8.346 0.054 1
1 75 . 14 1 1 A 9 9 ASP HA H 39 4.280 4.358 -0.078 1
1 77 . 14 1 1 A 9 9 ASP C C 39 176.100 178.539 -2.439 1
1 78 . 14 1 1 A 9 9 ASP CA C 39 54.500 57.509 -3.009 1
1 79 . 14 1 1 A 9 9 ASP CB C 39 37.800 41.666 -3.866 1
1 80 . 14 1 1 A 9 9 ASP N N 39 117.400 120.883 -3.483 1
1 81 . 14 1 1 A 10 10 GLU H H 40 7.740 7.757 -0.017 1
1 82 . 14 1 1 A 10 10 GLU HA H 40 4.090 4.069 0.021 1
1 86 . 14 1 1 A 10 10 GLU C C 40 176.100 179.304 -3.204 1
1 87 . 14 1 1 A 10 10 GLU CA C 40 55.700 59.262 -3.562 1
1 88 . 14 1 1 A 10 10 GLU CB C 40 26.800 29.509 -2.709 1
1 90 . 14 1 1 A 10 10 GLU N N 40 118.800 117.985 0.815 1
1 91 . 14 1 1 A 11 11 LEU H H 41 7.770 8.218 -0.448 1
1 92 . 14 1 1 A 11 11 LEU HA H 41 4.040 3.892 0.148 1
1 102 . 14 1 1 A 11 11 LEU C C 41 175.500 179.078 -3.578 1
1 103 . 14 1 1 A 11 11 LEU CA C 41 54.600 57.814 -3.214 1
1 104 . 14 1 1 A 11 11 LEU CB C 41 39.200 41.544 -2.344 1
1 108 . 14 1 1 A 11 11 LEU N N 41 119.500 120.212 -0.712 1
1 109 . 14 1 1 A 12 12 GLN H H 42 8.070 8.862 -0.792 1
1 110 . 14 1 1 A 12 12 GLN HA H 42 3.770 4.049 -0.279 1
1 114 . 14 1 1 A 12 12 GLN C C 42 175.400 179.409 -4.009 1
1 115 . 14 1 1 A 12 12 GLN CA C 42 56.500 58.906 -2.406 1
1 116 . 14 1 1 A 12 12 GLN CB C 42 25.800 28.458 -2.658 1
1 118 . 14 1 1 A 12 12 GLN N N 42 116.800 116.437 0.363 1
1 119 . 14 1 1 A 13 13 GLY H H 43 7.810 8.438 -0.628 1
1 120 . 14 1 1 A 13 13 GLY HA2 H 43 3.850 3.716 0.134 1
1 121 . 14 1 1 A 13 13 GLY HA3 H 43 3.910 3.718 0.192 1
1 122 . 14 1 1 A 13 13 GLY C C 43 173.000 176.176 -3.176 1
1 123 . 14 1 1 A 13 13 GLY CA C 43 43.800 47.361 -3.561 1
1 124 . 14 1 1 A 13 13 GLY N N 43 105.400 109.125 -3.725 1
1 125 . 14 1 1 A 14 14 LEU H H 44 7.650 8.526 -0.876 1
1 126 . 14 1 1 A 14 14 LEU HA H 44 4.210 4.004 0.206 1
1 136 . 14 1 1 A 14 14 LEU C C 44 176.000 179.337 -3.337 1
1 137 . 14 1 1 A 14 14 LEU CA C 44 54.200 57.990 -3.790 1
1 138 . 14 1 1 A 14 14 LEU CB C 44 40.000 41.965 -1.965 1
1 142 . 14 1 1 A 14 14 LEU N N 44 120.900 123.190 -2.290 1
1 143 . 14 1 1 A 15 15 VAL H H 45 7.760 7.963 -0.203 1
1 144 . 14 1 1 A 15 15 VAL HA H 45 3.740 3.920 -0.180 1
1 152 . 14 1 1 A 15 15 VAL C C 45 173.100 177.981 -4.881 1
1 153 . 14 1 1 A 15 15 VAL CA C 45 61.800 65.309 -3.509 1
1 154 . 14 1 1 A 15 15 VAL CB C 45 29.100 31.221 -2.121 1
1 157 . 14 1 1 A 15 15 VAL N N 45 117.200 113.913 3.287 1
1 158 . 14 1 1 A 16 16 ASN H H 46 7.820 8.226 -0.406 1
1 159 . 14 1 1 A 16 16 ASN HA H 46 4.600 4.578 0.022 1
1 161 . 14 1 1 A 16 16 ASN CA C 46 51.400 56.087 -4.687 1
1 162 . 14 1 1 A 16 16 ASN CB C 46 36.000 38.695 -2.695 1
1 163 . 14 1 1 A 16 16 ASN N N 46 118.400 120.070 -1.670 1
1 164 . 14 1 1 A 17 17 SER H H 47 8.160 7.482 0.678 1
1 165 . 14 1 1 A 17 17 SER HA H 47 4.380 4.737 -0.357 1
1 168 . 14 1 1 A 17 17 SER CA C 47 57.900 57.125 0.775 1
1 169 . 14 1 1 A 17 17 SER CB C 47 61.000 63.605 -2.605 1
1 170 . 14 1 1 A 18 18 THR H H 48 8.130 7.890 0.240 1
1 171 . 14 1 1 A 18 18 THR HA H 48 3.990 4.542 -0.552 1
1 176 . 14 1 1 A 18 18 THR C C 48 173.800 175.084 -1.284 1
1 177 . 14 1 1 A 18 18 THR CA C 48 63.500 63.938 -0.438 1
1 178 . 14 1 1 A 18 18 THR CB C 48 66.000 70.453 -4.453 1
1 180 . 14 1 1 A 18 18 THR N N 48 118.300 114.874 3.426 1
1 181 . 14 1 1 A 19 19 VAL H H 49 8.100 8.367 -0.267 1
1 182 . 14 1 1 A 19 19 VAL HA H 49 3.640 3.710 -0.070 1
1 190 . 14 1 1 A 19 19 VAL C C 49 174.700 177.954 -3.254 1
1 191 . 14 1 1 A 19 19 VAL CA C 49 64.000 65.609 -1.609 1
1 192 . 14 1 1 A 19 19 VAL CB C 49 29.000 31.292 -2.292 1
1 195 . 14 1 1 A 19 19 VAL N N 49 120.800 120.397 0.403 1
1 196 . 14 1 1 A 20 20 THR H H 50 7.830 8.233 -0.403 1
1 197 . 14 1 1 A 20 20 THR HA H 50 3.740 3.906 -0.166 1
1 202 . 14 1 1 A 20 20 THR C C 50 173.800 176.695 -2.895 1
1 203 . 14 1 1 A 20 20 THR CA C 50 64.400 65.275 -0.875 1
1 204 . 14 1 1 A 20 20 THR CB C 50 65.500 68.661 -3.161 1
1 206 . 14 1 1 A 20 20 THR N N 50 114.000 116.245 -2.245 1
1 207 . 14 1 1 A 21 21 GLN H H 51 7.920 8.023 -0.103 1
1 208 . 14 1 1 A 21 21 GLN HA H 51 3.970 4.082 -0.112 1
1 211 . 14 1 1 A 21 21 GLN C C 51 175.900 178.089 -2.189 1
1 212 . 14 1 1 A 21 21 GLN CA C 51 56.300 58.301 -2.001 1
1 213 . 14 1 1 A 21 21 GLN CB C 51 25.700 29.114 -3.414 1
1 215 . 14 1 1 A 21 21 GLN N N 51 118.400 120.328 -1.928 1
1 216 . 14 1 1 A 22 22 ALA H H 52 7.960 7.757 0.203 1
1 217 . 14 1 1 A 22 22 ALA HA H 52 4.160 4.174 -0.014 1
1 221 . 14 1 1 A 22 22 ALA C C 52 176.800 180.203 -3.403 1
1 222 . 14 1 1 A 22 22 ALA CA C 52 52.800 55.288 -2.488 1
1 223 . 14 1 1 A 22 22 ALA CB C 52 15.700 18.429 -2.729 1
1 224 . 14 1 1 A 22 22 ALA N N 52 122.200 122.273 -0.073 1
1 225 . 14 1 1 A 23 23 ILE H H 53 8.100 8.087 0.013 1
1 226 . 14 1 1 A 23 23 ILE HA H 53 3.660 3.722 -0.062 1
1 236 . 14 1 1 A 23 23 ILE C C 53 175.300 178.437 -3.137 1
1 237 . 14 1 1 A 23 23 ILE CA C 53 62.700 65.346 -2.646 1
1 238 . 14 1 1 A 23 23 ILE CB C 53 35.100 38.158 -3.058 1
1 242 . 14 1 1 A 23 23 ILE N N 53 117.500 118.665 -1.165 1
1 243 . 14 1 1 A 24 24 LEU H H 54 8.160 7.969 0.191 1
1 244 . 14 1 1 A 24 24 LEU HA H 54 3.970 3.954 0.016 1
1 254 . 14 1 1 A 24 24 LEU C C 54 176.600 178.942 -2.342 1
1 255 . 14 1 1 A 24 24 LEU CA C 54 55.500 58.373 -2.873 1
1 256 . 14 1 1 A 24 24 LEU CB C 54 38.700 41.856 -3.156 1
1 260 . 14 1 1 A 24 24 LEU N N 54 118.900 119.101 -0.201 1
1 261 . 14 1 1 A 25 25 PHE H H 55 8.200 8.775 -0.575 1
1 262 . 14 1 1 A 25 25 PHE HA H 55 4.240 4.113 0.127 1
1 267 . 14 1 1 A 25 25 PHE C C 55 176.300 177.911 -1.611 1
1 268 . 14 1 1 A 25 25 PHE CA C 55 58.500 61.540 -3.040 1
1 269 . 14 1 1 A 25 25 PHE CB C 55 36.300 38.907 -2.607 1
1 273 . 14 1 1 A 25 25 PHE N N 55 119.100 118.746 0.354 1
1 274 . 14 1 1 A 26 26 GLY H H 56 8.570 8.957 -0.387 1
1 275 . 14 1 1 A 26 26 GLY HA2 H 56 3.580 3.899 -0.319 1
1 276 . 14 1 1 A 26 26 GLY HA3 H 56 3.670 3.977 -0.307 1
1 277 . 14 1 1 A 26 26 GLY C C 56 172.200 176.006 -3.806 1
1 278 . 14 1 1 A 26 26 GLY CA C 56 44.900 47.261 -2.361 1
1 279 . 14 1 1 A 26 26 GLY N N 56 108.900 106.563 2.337 1
1 280 . 14 1 1 A 27 27 VAL H H 57 8.550 8.256 0.294 1
1 281 . 14 1 1 A 27 27 VAL HA H 57 3.640 3.730 -0.090 1
1 289 . 14 1 1 A 27 27 VAL C C 57 175.000 177.788 -2.788 1
1 290 . 14 1 1 A 27 27 VAL CA C 57 63.800 65.947 -2.147 1
1 291 . 14 1 1 A 27 27 VAL CB C 57 29.000 31.679 -2.679 1
1 294 . 14 1 1 A 27 27 VAL N N 57 120.000 122.245 -2.245 1
1 295 . 14 1 1 A 28 28 ARG H H 58 8.030 8.150 -0.120 1
1 296 . 14 1 1 A 28 28 ARG HA H 58 4.020 4.033 -0.013 1
1 301 . 14 1 1 A 28 28 ARG C C 58 176.700 178.207 -1.507 1
1 302 . 14 1 1 A 28 28 ARG CA C 58 56.700 58.399 -1.699 1
1 303 . 14 1 1 A 28 28 ARG CB C 58 27.600 30.232 -2.632 1
1 306 . 14 1 1 A 28 28 ARG N N 58 118.300 120.866 -2.566 1
1 307 . 14 1 1 A 29 29 SER H H 59 8.020 7.743 0.277 1
1 308 . 14 1 1 A 29 29 SER HA H 59 4.280 3.865 0.415 1
1 310 . 14 1 1 A 29 29 SER C C 59 173.300 176.822 -3.522 1
1 311 . 14 1 1 A 29 29 SER CA C 59 58.200 60.962 -2.762 1
1 312 . 14 1 1 A 29 29 SER CB C 59 60.700 62.462 -1.762 1
1 313 . 14 1 1 A 29 29 SER N N 59 114.700 115.360 -0.660 1
1 314 . 14 1 1 A 30 30 GLY H H 60 8.310 8.394 -0.084 1
1 315 . 14 1 1 A 30 30 GLY HA2 H 60 3.630 3.515 0.115 1
1 316 . 14 1 1 A 30 30 GLY HA3 H 60 3.750 3.891 -0.141 1
1 317 . 14 1 1 A 30 30 GLY C C 60 171.900 175.949 -4.049 1
1 318 . 14 1 1 A 30 30 GLY CA C 60 44.500 47.204 -2.704 1
1 319 . 14 1 1 A 30 30 GLY N N 60 109.700 109.403 0.297 1
1 320 . 14 1 1 A 31 31 ALA H H 61 8.330 7.941 0.389 1
1 321 . 14 1 1 A 31 31 ALA HA H 61 3.970 4.094 -0.124 1
1 325 . 14 1 1 A 31 31 ALA C C 61 177.200 179.626 -2.426 1
1 326 . 14 1 1 A 31 31 ALA CA C 61 52.900 54.768 -1.868 1
1 327 . 14 1 1 A 31 31 ALA CB C 61 15.500 18.265 -2.765 1
1 328 . 14 1 1 A 31 31 ALA N N 61 122.700 124.887 -2.187 1
1 329 . 14 1 1 A 32 32 ALA H H 62 7.860 8.304 -0.444 1
1 330 . 14 1 1 A 32 32 ALA HA H 62 4.120 3.961 0.159 1
1 334 . 14 1 1 A 32 32 ALA C C 62 177.400 179.656 -2.256 1
1 335 . 14 1 1 A 32 32 ALA CA C 62 52.200 54.927 -2.727 1
1 336 . 14 1 1 A 32 32 ALA CB C 62 15.600 18.045 -2.445 1
1 337 . 14 1 1 A 32 32 ALA N N 62 120.400 119.900 0.500 1
1 338 . 14 1 1 A 33 33 ALA H H 63 7.920 8.163 -0.243 1
1 339 . 14 1 1 A 33 33 ALA HA H 63 4.070 4.007 0.063 1
1 343 . 14 1 1 A 33 33 ALA C C 63 176.200 179.657 -3.457 1
1 344 . 14 1 1 A 33 33 ALA CA C 63 52.100 54.978 -2.878 1
1 345 . 14 1 1 A 33 33 ALA CB C 63 15.800 18.256 -2.456 1
1 346 . 14 1 1 A 33 33 ALA N N 63 120.100 120.944 -0.844 1
1 347 . 14 1 1 A 34 34 LEU H H 64 8.090 8.166 -0.076 1
1 348 . 14 1 1 A 34 34 LEU HA H 64 3.980 4.138 -0.158 1
1 358 . 14 1 1 A 34 34 LEU C C 64 175.900 178.771 -2.871 1
1 359 . 14 1 1 A 34 34 LEU CA C 64 55.500 57.557 -2.057 1
1 360 . 14 1 1 A 34 34 LEU CB C 64 39.100 41.688 -2.588 1
1 364 . 14 1 1 A 34 34 LEU N N 64 116.400 120.099 -3.699 1
1 365 . 14 1 1 A 35 35 THR H H 65 7.860 8.200 -0.340 1
1 366 . 14 1 1 A 35 35 THR HA H 65 3.770 4.018 -0.248 1
1 371 . 14 1 1 A 35 35 THR C C 65 173.100 176.621 -3.521 1
1 372 . 14 1 1 A 35 35 THR CA C 65 64.600 65.091 -0.491 1
1 373 . 14 1 1 A 35 35 THR CB C 65 66.000 68.859 -2.859 1
1 375 . 14 1 1 A 35 35 THR N N 65 113.500 114.222 -0.722 1
1 376 . 14 1 1 A 36 36 LEU H H 66 7.430 7.886 -0.456 1
1 377 . 14 1 1 A 36 36 LEU HA H 66 4.000 4.088 -0.088 1
1 387 . 14 1 1 A 36 36 LEU C C 66 176.800 179.206 -2.406 1
1 388 . 14 1 1 A 36 36 LEU CA C 66 55.500 58.253 -2.753 1
1 389 . 14 1 1 A 36 36 LEU CB C 66 39.200 41.382 -2.182 1
1 393 . 14 1 1 A 36 36 LEU N N 66 120.200 119.940 0.260 1
1 394 . 14 1 1 A 37 37 ILE H H 67 7.750 8.263 -0.513 1
1 395 . 14 1 1 A 37 37 ILE HA H 67 3.800 3.832 -0.032 1
1 405 . 14 1 1 A 37 37 ILE C C 67 175.000 177.902 -2.902 1
1 406 . 14 1 1 A 37 37 ILE CA C 67 62.600 65.124 -2.524 1
1 407 . 14 1 1 A 37 37 ILE CB C 67 35.300 37.794 -2.494 1
1 411 . 14 1 1 A 37 37 ILE N N 67 119.600 120.063 -0.463 1
1 412 . 14 1 1 A 38 38 VAL H H 68 8.250 8.178 0.072 1
1 413 . 14 1 1 A 38 38 VAL HA H 68 3.590 3.833 -0.243 1
1 421 . 14 1 1 A 38 38 VAL C C 68 176.600 178.001 -1.401 1
1 422 . 14 1 1 A 38 38 VAL CA C 68 65.000 65.627 -0.627 1
1 423 . 14 1 1 A 38 38 VAL CB C 68 28.900 31.604 -2.704 1
1 426 . 14 1 1 A 38 38 VAL N N 68 119.600 116.420 3.180 1
1 427 . 14 1 1 A 39 39 VAL H H 69 8.370 8.364 0.006 1
1 428 . 14 1 1 A 39 39 VAL HA H 69 3.620 3.790 -0.170 1
1 436 . 14 1 1 A 39 39 VAL C C 69 175.800 177.887 -2.087 1
1 437 . 14 1 1 A 39 39 VAL CA C 69 64.200 64.968 -0.768 1
1 438 . 14 1 1 A 39 39 VAL CB C 69 28.900 31.423 -2.523 1
1 441 . 14 1 1 A 39 39 VAL N N 69 121.700 122.761 -1.061 1
1 442 . 14 1 1 A 40 40 TRP H H 70 8.320 8.415 -0.095 1
1 443 . 14 1 1 A 40 40 TRP HA H 70 4.150 4.288 -0.138 1
1 449 . 14 1 1 A 40 40 TRP C C 70 176.600 178.484 -1.884 1
1 450 . 14 1 1 A 40 40 TRP CA C 70 59.700 61.099 -1.399 1
1 451 . 14 1 1 A 40 40 TRP CB C 70 26.400 29.589 -3.189 1
1 454 . 14 1 1 A 40 40 TRP N N 70 122.400 123.183 -0.783 1
1 456 . 14 1 1 A 41 41 ILE H H 71 8.780 8.082 0.698 1
1 457 . 14 1 1 A 41 41 ILE HA H 71 3.510 3.285 0.225 1
1 467 . 14 1 1 A 41 41 ILE C C 71 175.600 178.226 -2.626 1
1 468 . 14 1 1 A 41 41 ILE CA C 71 62.500 64.369 -1.869 1
1 469 . 14 1 1 A 41 41 ILE CB C 71 35.700 37.787 -2.087 1
1 473 . 14 1 1 A 41 41 ILE N N 71 117.500 120.694 -3.194 1
1 474 . 14 1 1 A 42 42 THR H H 72 8.280 8.205 0.075 1
1 475 . 14 1 1 A 42 42 THR HA H 72 4.000 3.836 0.164 1
1 480 . 14 1 1 A 42 42 THR C C 72 173.800 176.842 -3.042 1
1 481 . 14 1 1 A 42 42 THR CA C 72 62.500 65.623 -3.123 1
1 482 . 14 1 1 A 42 42 THR CB C 72 66.500 69.067 -2.567 1
1 484 . 14 1 1 A 42 42 THR N N 72 110.700 114.701 -4.001 1
1 485 . 14 1 1 A 43 43 SER H H 73 7.810 8.103 -0.293 1
1 486 . 14 1 1 A 43 43 SER HA H 73 4.320 4.453 -0.133 1
1 488 . 14 1 1 A 43 43 SER C C 73 172.800 173.895 -1.095 1
1 489 . 14 1 1 A 43 43 SER CA C 73 57.600 58.659 -1.059 1
1 490 . 14 1 1 A 43 43 SER CB C 73 60.900 63.653 -2.753 1
1 491 . 14 1 1 A 43 43 SER N N 73 115.900 115.166 0.734 1
1 492 . 14 1 1 A 44 44 ARG H H 74 7.490 7.853 -0.363 1
1 493 . 14 1 1 A 44 44 ARG HA H 74 4.120 3.947 0.173 1
1 500 . 14 1 1 A 44 44 ARG C C 74 174.200 175.175 -0.975 1
1 501 . 14 1 1 A 44 44 ARG CA C 74 53.600 56.740 -3.140 1
1 502 . 14 1 1 A 44 44 ARG CB C 74 27.700 27.616 0.084 1
1 505 . 14 1 1 A 44 44 ARG N N 74 120.100 118.200 1.900 1
1 506 . 14 1 1 A 45 45 SER H H 75 7.890 7.646 0.244 1
1 507 . 14 1 1 A 45 45 SER HA H 75 4.210 4.474 -0.264 1
1 509 . 14 1 1 A 45 45 SER C C 75 172.300 174.110 -1.810 1
1 510 . 14 1 1 A 45 45 SER CA C 75 56.800 59.011 -2.211 1
1 511 . 14 1 1 A 45 45 SER CB C 75 60.900 63.824 -2.924 1
1 512 . 14 1 1 A 45 45 SER N N 75 114.400 112.678 1.722 1
1 513 . 14 1 1 A 46 46 ARG H H 76 7.850 7.909 -0.059 1
1 514 . 14 1 1 A 46 46 ARG HA H 76 4.220 4.340 -0.120 1
1 519 . 14 1 1 A 46 46 ARG C C 76 173.500 176.472 -2.972 1
1 520 . 14 1 1 A 46 46 ARG CA C 76 53.900 56.283 -2.383 1
1 521 . 14 1 1 A 46 46 ARG CB C 76 27.800 30.581 -2.781 1
1 524 . 14 1 1 A 46 46 ARG N N 76 120.600 126.047 -5.447 1
1 525 . 14 1 1 A 47 47 LYS H H 77 7.900 8.459 -0.559 1
1 526 . 14 1 1 A 47 47 LYS HA H 77 4.320 4.416 -0.096 1
1 533 . 14 1 1 A 47 47 LYS C C 77 173.600 176.854 -3.254 1
1 534 . 14 1 1 A 47 47 LYS CA C 77 53.400 57.186 -3.786 1
1 535 . 14 1 1 A 47 47 LYS CB C 77 30.500 33.219 -2.719 1
1 539 . 14 1 1 A 47 47 LYS N N 77 119.100 123.389 -4.289 1
1 540 . 14 1 1 A 48 48 THR H H 78 7.840 8.268 -0.428 1
1 541 . 14 1 1 A 48 48 THR HA H 78 4.390 4.771 -0.381 1
1 546 . 14 1 1 A 48 48 THR C C 78 174.000 172.426 1.574 1
1 547 . 14 1 1 A 48 48 THR CA C 78 59.500 58.253 1.247 1
1 548 . 14 1 1 A 48 48 THR CB C 78 66.600 69.390 -2.790 1
1 550 . 14 1 1 A 48 48 THR N N 78 116.200 113.704 2.496 1
1 551 . 14 1 1 A 49 49 PRO HA H 79 4.410 4.551 -0.141 1
1 557 . 14 1 1 A 49 49 PRO CA C 79 60.800 62.631 -1.831 1
1 558 . 14 1 1 A 49 49 PRO CB C 79 28.900 32.699 -3.799 1
1 561 . 14 1 1 A 50 50 ILE H H 80 7.850 8.537 -0.687 1
1 562 . 14 1 1 A 50 50 ILE HA H 80 3.880 3.709 0.171 1
1 572 . 14 1 1 A 50 50 ILE C C 80 173.500 177.159 -3.659 1
1 573 . 14 1 1 A 50 50 ILE CA C 80 59.800 64.211 -4.411 1
1 574 . 14 1 1 A 50 50 ILE CB C 80 35.600 37.520 -1.920 1
1 578 . 14 1 1 A 50 50 ILE N N 80 119.400 123.309 -3.909 1
1 579 . 14 1 1 A 51 51 PHE H H 81 7.730 7.847 -0.117 1
1 580 . 14 1 1 A 51 51 PHE HA H 81 4.500 4.310 0.190 1
1 585 . 14 1 1 A 51 51 PHE CA C 81 56.200 60.883 -4.683 1
1 586 . 14 1 1 A 51 51 PHE CB C 81 36.500 38.865 -2.365 1
1 590 . 14 1 1 A 51 51 PHE N N 81 118.900 120.704 -1.804 1
1 591 . 14 1 1 A 52 52 ILE H H 82 7.420 8.079 -0.659 1
1 592 . 14 1 1 A 52 52 ILE HA H 82 3.880 3.598 0.282 1
1 602 . 14 1 1 A 52 52 ILE C C 82 173.800 178.459 -4.659 1
1 603 . 14 1 1 A 52 52 ILE CA C 82 59.700 65.063 -5.363 1
1 604 . 14 1 1 A 52 52 ILE CB C 82 35.400 37.898 -2.498 1
1 608 . 14 1 1 A 52 52 ILE N N 82 118.000 119.629 -1.629 1
1 609 . 14 1 1 A 53 53 ILE H H 83 7.540 8.060 -0.520 1
1 610 . 14 1 1 A 53 53 ILE HA H 83 3.890 3.569 0.321 1
1 620 . 14 1 1 A 53 53 ILE C C 83 174.300 178.006 -3.706 1
1 621 . 14 1 1 A 53 53 ILE CA C 83 59.800 65.072 -5.272 1
1 622 . 14 1 1 A 53 53 ILE CB C 83 35.600 37.184 -1.584 1
1 626 . 14 1 1 A 53 53 ILE N N 83 119.300 120.308 -1.008 1
1 627 . 14 1 1 A 54 54 ASN H H 84 8.030 8.634 -0.604 1
1 628 . 14 1 1 A 54 54 ASN HA H 84 4.620 4.355 0.265 1
1 631 . 14 1 1 A 54 54 ASN CA C 84 51.500 56.275 -4.775 1
1 632 . 14 1 1 A 54 54 ASN CB C 84 36.500 39.336 -2.836 1
1 633 . 14 1 1 A 54 54 ASN N N 84 118.300 119.495 -1.195 1
1 634 . 14 1 1 A 55 55 GLN H H 85 8.040 8.435 -0.395 1
1 635 . 14 1 1 A 55 55 GLN HA H 85 4.210 4.183 0.027 1
1 639 . 14 1 1 A 55 55 GLN CA C 85 54.400 58.480 -4.080 1
1 640 . 14 1 1 A 55 55 GLN CB C 85 25.600 28.789 -3.189 1
1 642 . 14 1 1 A 56 56 VAL H H 86 7.720 8.238 -0.518 1
1 643 . 14 1 1 A 56 56 VAL HA H 86 3.800 3.618 0.182 1
1 651 . 14 1 1 A 56 56 VAL C C 86 174.200 177.891 -3.691 1
1 652 . 14 1 1 A 56 56 VAL CA C 86 62.700 67.028 -4.328 1
1 653 . 14 1 1 A 56 56 VAL CB C 86 29.100 31.548 -2.448 1
1 656 . 14 1 1 A 56 56 VAL N N 86 118.700 121.259 -2.559 1
1 657 . 14 1 1 A 57 57 SER H H 87 8.080 8.440 -0.360 1
1 658 . 14 1 1 A 57 57 SER HA H 87 4.200 4.126 0.074 1
1 660 . 14 1 1 A 57 57 SER C C 87 173.800 177.467 -3.667 1
1 661 . 14 1 1 A 57 57 SER CA C 87 58.400 61.818 -3.418 1
1 662 . 14 1 1 A 57 57 SER CB C 87 60.000 63.103 -3.103 1
1 663 . 14 1 1 A 57 57 SER N N 87 115.300 115.131 0.169 1
1 664 . 14 1 1 A 58 58 LEU H H 88 7.780 8.308 -0.528 1
1 665 . 14 1 1 A 58 58 LEU HA H 88 4.060 3.919 0.141 1
1 675 . 14 1 1 A 58 58 LEU CA C 88 55.300 57.934 -2.634 1
1 676 . 14 1 1 A 58 58 LEU CB C 88 39.200 41.800 -2.600 1
1 680 . 14 1 1 A 58 58 LEU N N 88 121.900 122.058 -0.158 1
1 681 . 14 1 1 A 59 59 PHE H H 89 7.980 8.497 -0.517 1
1 682 . 14 1 1 A 59 59 PHE HA H 89 4.190 4.070 0.120 1
1 687 . 14 1 1 A 59 59 PHE C C 89 174.600 177.604 -3.004 1
1 688 . 14 1 1 A 59 59 PHE CA C 89 58.300 61.667 -3.367 1
1 689 . 14 1 1 A 59 59 PHE CB C 89 35.900 39.338 -3.438 1
1 693 . 14 1 1 A 59 59 PHE N N 89 117.100 118.750 -1.650 1
1 694 . 14 1 1 A 60 60 LEU H H 90 8.010 8.326 -0.316 1
1 695 . 14 1 1 A 60 60 LEU HA H 90 3.870 3.836 0.034 1
1 705 . 14 1 1 A 60 60 LEU C C 90 176.800 179.303 -2.503 1
1 706 . 14 1 1 A 60 60 LEU CA C 90 55.400 58.588 -3.188 1
1 707 . 14 1 1 A 60 60 LEU CB C 90 38.900 42.328 -3.428 1
1 711 . 14 1 1 A 60 60 LEU N N 90 117.700 119.752 -2.052 1
1 712 . 14 1 1 A 61 61 ILE H H 91 7.910 8.086 -0.176 1
1 713 . 14 1 1 A 61 61 ILE HA H 91 3.790 3.534 0.256 1
1 723 . 14 1 1 A 61 61 ILE CA C 91 62.500 65.530 -3.030 1
1 724 . 14 1 1 A 61 61 ILE CB C 91 35.400 37.981 -2.581 1
1 728 . 14 1 1 A 61 61 ILE N N 91 118.400 118.345 0.055 1
1 729 . 14 1 1 A 62 62 ILE H H 92 7.930 8.582 -0.652 1
1 730 . 14 1 1 A 62 62 ILE HA H 92 3.620 3.485 0.135 1
1 740 . 14 1 1 A 62 62 ILE C C 92 175.000 178.202 -3.202 1
1 741 . 14 1 1 A 62 62 ILE CA C 92 62.800 65.423 -2.623 1
1 742 . 14 1 1 A 62 62 ILE CB C 92 34.600 37.517 -2.917 1
1 746 . 14 1 1 A 62 62 ILE N N 92 121.800 120.236 1.564 1
1 747 . 14 1 1 A 63 63 LEU H H 93 8.250 8.495 -0.245 1
1 748 . 14 1 1 A 63 63 LEU HA H 93 3.880 3.810 0.070 1
1 758 . 14 1 1 A 63 63 LEU C C 93 175.900 179.011 -3.111 1
1 759 . 14 1 1 A 63 63 LEU CA C 93 55.800 58.294 -2.494 1
1 760 . 14 1 1 A 63 63 LEU CB C 93 39.100 41.994 -2.894 1
1 764 . 14 1 1 A 63 63 LEU N N 93 119.800 119.637 0.163 1
1 765 . 14 1 1 A 64 64 HIS H H 94 8.330 8.545 -0.215 1
1 766 . 14 1 1 A 64 64 HIS HA H 94 4.290 4.137 0.153 1
1 770 . 14 1 1 A 64 64 HIS C C 94 175.200 176.689 -1.489 1
1 771 . 14 1 1 A 64 64 HIS CA C 94 56.000 59.972 -3.972 1
1 772 . 14 1 1 A 64 64 HIS CB C 94 25.900 29.531 -3.631 1
1 775 . 14 1 1 A 64 64 HIS N N 94 114.700 118.457 -3.757 1
1 776 . 14 1 1 A 65 65 SER H H 95 8.150 8.631 -0.481 1
1 777 . 14 1 1 A 65 65 SER HA H 95 4.250 3.976 0.274 1
1 779 . 14 1 1 A 65 65 SER C C 95 172.500 177.308 -4.808 1
1 780 . 14 1 1 A 65 65 SER CA C 95 59.900 61.865 -1.965 1
1 781 . 14 1 1 A 65 65 SER CB C 95 60.500 63.035 -2.535 1
1 782 . 14 1 1 A 65 65 SER N N 95 116.200 114.115 2.085 1
1 783 . 14 1 1 A 66 66 ALA H H 96 8.220 8.301 -0.081 1
1 784 . 14 1 1 A 66 66 ALA HA H 96 4.080 4.255 -0.175 1
1 788 . 14 1 1 A 66 66 ALA C C 96 176.400 179.903 -3.503 1
1 789 . 14 1 1 A 66 66 ALA CA C 96 52.600 55.157 -2.557 1
1 790 . 14 1 1 A 66 66 ALA CB C 96 15.600 18.055 -2.455 1
1 791 . 14 1 1 A 66 66 ALA N N 96 123.500 123.260 0.240 1
1 792 . 14 1 1 A 67 67 LEU H H 97 7.870 8.516 -0.646 1
1 793 . 14 1 1 A 67 67 LEU HA H 97 3.980 3.927 0.053 1
1 803 . 14 1 1 A 67 67 LEU C C 97 176.700 178.848 -2.148 1
1 804 . 14 1 1 A 67 67 LEU CA C 97 55.000 57.914 -2.914 1
1 805 . 14 1 1 A 67 67 LEU CB C 97 38.700 42.148 -3.448 1
1 809 . 14 1 1 A 67 67 LEU N N 97 115.800 118.819 -3.019 1
1 810 . 14 1 1 A 68 68 TYR H H 98 7.830 8.620 -0.790 1
1 811 . 14 1 1 A 68 68 TYR HA H 98 4.320 4.132 0.188 1
1 816 . 14 1 1 A 68 68 TYR C C 98 174.900 177.656 -2.756 1
1 817 . 14 1 1 A 68 68 TYR CA C 98 58.200 61.749 -3.549 1
1 818 . 14 1 1 A 68 68 TYR CB C 98 35.500 38.545 -3.045 1
1 821 . 14 1 1 A 68 68 TYR N N 98 120.300 118.854 1.446 1
1 822 . 14 1 1 A 69 69 PHE H H 99 8.110 8.567 -0.457 1
1 823 . 14 1 1 A 69 69 PHE HA H 99 4.200 4.265 -0.065 1
1 828 . 14 1 1 A 69 69 PHE C C 99 173.600 177.094 -3.494 1
1 829 . 14 1 1 A 69 69 PHE CA C 99 58.400 61.983 -3.583 1
1 830 . 14 1 1 A 69 69 PHE CB C 99 36.100 39.371 -3.271 1
1 834 . 14 1 1 A 69 69 PHE N N 99 117.600 121.435 -3.835 1
1 835 . 14 1 1 A 70 70 LYS H H 100 8.030 8.409 -0.379 1
1 836 . 14 1 1 A 70 70 LYS HA H 100 3.800 3.940 -0.140 1
1 843 . 14 1 1 A 70 70 LYS C C 100 175.700 177.680 -1.980 1
1 844 . 14 1 1 A 70 70 LYS CA C 100 57.300 59.654 -2.354 1
1 845 . 14 1 1 A 70 70 LYS CB C 100 29.500 32.259 -2.759 1
1 849 . 14 1 1 A 70 70 LYS N N 100 118.300 118.757 -0.457 1
1 850 . 14 1 1 A 71 71 TYR H H 101 7.720 8.263 -0.543 1
1 851 . 14 1 1 A 71 71 TYR HA H 101 4.210 4.067 0.143 1
1 856 . 14 1 1 A 71 71 TYR C C 101 175.300 177.925 -2.625 1
1 857 . 14 1 1 A 71 71 TYR CA C 101 57.800 61.170 -3.370 1
1 858 . 14 1 1 A 71 71 TYR CB C 101 34.700 38.434 -3.734 1
1 861 . 14 1 1 A 71 71 TYR N N 101 119.600 120.979 -1.379 1
1 862 . 14 1 1 A 72 72 LEU H H 102 7.950 7.636 0.314 1
1 863 . 14 1 1 A 72 72 LEU HA H 102 3.800 3.808 -0.008 1
1 870 . 14 1 1 A 72 72 LEU C C 102 176.300 178.736 -2.436 1
1 871 . 14 1 1 A 72 72 LEU CA C 102 55.100 57.413 -2.313 1
1 872 . 14 1 1 A 72 72 LEU CB C 102 39.500 41.502 -2.002 1
1 876 . 14 1 1 A 72 72 LEU N N 102 121.000 119.576 1.424 1
1 877 . 14 1 1 A 73 73 LEU H H 103 7.870 8.029 -0.159 1
1 878 . 14 1 1 A 73 73 LEU HA H 103 4.030 3.762 0.268 1
1 888 . 14 1 1 A 73 73 LEU C C 103 176.200 178.312 -2.112 1
1 889 . 14 1 1 A 73 73 LEU CA C 103 54.500 58.069 -3.569 1
1 890 . 14 1 1 A 73 73 LEU CB C 103 39.200 41.583 -2.383 1
1 894 . 14 1 1 A 73 73 LEU N N 103 116.900 122.154 -5.254 1
1 895 . 14 1 1 A 74 74 SER H H 104 7.780 8.169 -0.389 1
1 896 . 14 1 1 A 74 74 SER HA H 104 4.230 4.182 0.048 1
1 898 . 14 1 1 A 74 74 SER C C 104 172.800 175.551 -2.751 1
1 899 . 14 1 1 A 74 74 SER CA C 104 57.900 61.341 -3.441 1
1 900 . 14 1 1 A 74 74 SER CB C 104 60.800 62.853 -2.053 1
1 901 . 14 1 1 A 74 74 SER N N 104 113.200 113.655 -0.455 1
1 902 . 14 1 1 A 75 75 ASN H H 105 7.720 7.835 -0.115 1
1 903 . 14 1 1 A 75 75 ASN HA H 105 4.530 4.917 -0.387 1
1 906 . 14 1 1 A 75 75 ASN C C 105 173.100 175.357 -2.257 1
1 907 . 14 1 1 A 75 75 ASN CA C 105 51.800 53.104 -1.304 1
1 908 . 14 1 1 A 75 75 ASN CB C 105 36.600 38.819 -2.219 1
1 909 . 14 1 1 A 75 75 ASN N N 105 118.400 118.342 0.058 1
1 910 . 14 1 1 A 76 76 TYR H H 106 7.720 7.999 -0.279 1
1 911 . 14 1 1 A 76 76 TYR HA H 106 4.380 4.134 0.246 1
1 916 . 14 1 1 A 76 76 TYR C C 106 173.000 177.146 -4.146 1
1 917 . 14 1 1 A 76 76 TYR CA C 106 56.700 60.983 -4.283 1
1 918 . 14 1 1 A 76 76 TYR CB C 106 36.100 39.245 -3.145 1
1 921 . 14 1 1 A 76 76 TYR N N 106 118.900 120.674 -1.774 1
1 922 . 14 1 1 A 77 77 SER H H 107 7.650 7.813 -0.163 1
1 923 . 14 1 1 A 77 77 SER HA H 107 4.330 4.417 -0.087 1
1 926 . 14 1 1 A 77 77 SER C C 107 171.800 173.436 -1.636 1
1 927 . 14 1 1 A 77 77 SER CA C 107 55.800 57.287 -1.487 1
1 928 . 14 1 1 A 77 77 SER CB C 107 61.400 61.554 -0.154 1
1 929 . 14 1 1 A 77 77 SER N N 107 114.300 114.445 -0.145 1
1 930 . 14 1 1 A 78 78 SER H H 108 7.940 8.122 -0.182 1
1 931 . 14 1 1 A 78 78 SER HA H 108 4.440 4.914 -0.474 1
1 933 . 14 1 1 A 78 78 SER C C 108 171.900 172.123 -0.223 1
1 934 . 14 1 1 A 78 78 SER CA C 108 55.800 57.575 -1.775 1
1 935 . 14 1 1 A 78 78 SER CB C 108 61.200 65.133 -3.933 1
1 936 . 14 1 1 A 78 78 SER N N 108 116.600 120.275 -3.675 1
1 937 . 14 1 1 A 79 79 VAL H H 109 7.850 8.658 -0.808 1
1 938 . 14 1 1 A 79 79 VAL HA H 109 4.170 4.494 -0.324 1
1 943 . 14 1 1 A 79 79 VAL C C 109 172.900 175.688 -2.788 1
1 944 . 14 1 1 A 79 79 VAL CA C 109 59.900 61.830 -1.930 1
1 945 . 14 1 1 A 79 79 VAL CB C 109 29.900 33.663 -3.763 1
1 948 . 14 1 1 A 79 79 VAL N N 109 120.200 125.023 -4.823 1
1 3 . 15 1 1 A 2 2 ASN HA H 32 4.710 4.657 0.053 1
1 6 . 15 1 1 A 2 2 ASN CA C 32 50.800 55.268 -4.468 1
1 7 . 15 1 1 A 2 2 ASN CB C 32 36.400 39.880 -3.480 1
1 8 . 15 1 1 A 3 3 GLY H H 33 8.470 7.808 0.662 1
1 9 . 15 1 1 A 3 3 GLY HA2 H 33 3.890 4.139 -0.249 1
1 10 . 15 1 1 A 3 3 GLY HA3 H 33 3.990 4.142 -0.152 1
1 11 . 15 1 1 A 3 3 GLY C C 33 171.500 171.638 -0.138 1
1 12 . 15 1 1 A 3 3 GLY CA C 33 42.900 44.708 -1.808 1
1 13 . 15 1 1 A 3 3 GLY N N 33 109.300 104.254 5.046 1
1 14 . 15 1 1 A 4 4 SER H H 34 8.020 8.936 -0.916 1
1 15 . 15 1 1 A 4 4 SER HA H 34 4.480 4.996 -0.516 1
1 17 . 15 1 1 A 4 4 SER C C 34 171.700 172.513 -0.813 1
1 18 . 15 1 1 A 4 4 SER CA C 34 55.600 57.553 -1.953 1
1 19 . 15 1 1 A 4 4 SER CB C 34 61.400 64.427 -3.027 1
1 20 . 15 1 1 A 4 4 SER N N 34 115.200 116.392 -1.192 1
1 21 . 15 1 1 A 5 5 THR H H 35 8.030 8.902 -0.872 1
1 22 . 15 1 1 A 5 5 THR HA H 35 4.300 4.591 -0.291 1
1 27 . 15 1 1 A 5 5 THR C C 35 171.400 173.122 -1.722 1
1 28 . 15 1 1 A 5 5 THR CA C 35 59.500 60.910 -1.410 1
1 29 . 15 1 1 A 5 5 THR CB C 35 67.200 69.815 -2.615 1
1 31 . 15 1 1 A 5 5 THR N N 35 115.600 121.247 -5.647 1
1 32 . 15 1 1 A 6 6 ILE H H 36 7.850 7.405 0.445 1
1 33 . 15 1 1 A 6 6 ILE HA H 36 4.260 4.569 -0.309 1
1 43 . 15 1 1 A 6 6 ILE C C 36 171.900 175.467 -3.567 1
1 44 . 15 1 1 A 6 6 ILE CA C 36 58.200 59.855 -1.655 1
1 45 . 15 1 1 A 6 6 ILE CB C 36 36.500 40.985 -4.485 1
1 49 . 15 1 1 A 6 6 ILE N N 36 122.000 122.966 -0.966 1
1 50 . 15 1 1 A 7 7 THR H H 37 7.680 8.363 -0.683 1
1 51 . 15 1 1 A 7 7 THR HA H 37 4.570 4.078 0.492 1
1 56 . 15 1 1 A 7 7 THR C C 37 172.800 175.964 -3.164 1
1 57 . 15 1 1 A 7 7 THR CA C 37 57.400 61.243 -3.843 1
1 58 . 15 1 1 A 7 7 THR CB C 37 68.700 70.595 -1.895 1
1 60 . 15 1 1 A 7 7 THR N N 37 114.700 117.957 -3.257 1
1 61 . 15 1 1 A 8 8 PHE H H 38 8.830 8.455 0.375 1
1 62 . 15 1 1 A 8 8 PHE HA H 38 4.250 4.346 -0.096 1
1 67 . 15 1 1 A 8 8 PHE C C 38 174.700 177.580 -2.880 1
1 68 . 15 1 1 A 8 8 PHE CA C 38 58.400 61.235 -2.835 1
1 69 . 15 1 1 A 8 8 PHE CB C 38 36.000 38.279 -2.279 1
1 73 . 15 1 1 A 8 8 PHE N N 38 120.900 122.698 -1.798 1
1 74 . 15 1 1 A 9 9 ASP H H 39 8.400 8.342 0.058 1
1 75 . 15 1 1 A 9 9 ASP HA H 39 4.280 4.378 -0.098 1
1 77 . 15 1 1 A 9 9 ASP C C 39 176.100 178.644 -2.544 1
1 78 . 15 1 1 A 9 9 ASP CA C 39 54.500 57.797 -3.297 1
1 79 . 15 1 1 A 9 9 ASP CB C 39 37.800 42.374 -4.574 1
1 80 . 15 1 1 A 9 9 ASP N N 39 117.400 121.242 -3.842 1
1 81 . 15 1 1 A 10 10 GLU H H 40 7.740 7.715 0.025 1
1 82 . 15 1 1 A 10 10 GLU HA H 40 4.090 4.015 0.075 1
1 86 . 15 1 1 A 10 10 GLU C C 40 176.100 179.426 -3.326 1
1 87 . 15 1 1 A 10 10 GLU CA C 40 55.700 59.158 -3.458 1
1 88 . 15 1 1 A 10 10 GLU CB C 40 26.800 29.460 -2.660 1
1 90 . 15 1 1 A 10 10 GLU N N 40 118.800 118.875 -0.075 1
1 91 . 15 1 1 A 11 11 LEU H H 41 7.770 8.209 -0.439 1
1 92 . 15 1 1 A 11 11 LEU HA H 41 4.040 3.996 0.044 1
1 102 . 15 1 1 A 11 11 LEU C C 41 175.500 179.217 -3.717 1
1 103 . 15 1 1 A 11 11 LEU CA C 41 54.600 58.062 -3.462 1
1 104 . 15 1 1 A 11 11 LEU CB C 41 39.200 41.420 -2.220 1
1 108 . 15 1 1 A 11 11 LEU N N 41 119.500 120.302 -0.802 1
1 109 . 15 1 1 A 12 12 GLN H H 42 8.070 8.445 -0.375 1
1 110 . 15 1 1 A 12 12 GLN HA H 42 3.770 4.055 -0.285 1
1 114 . 15 1 1 A 12 12 GLN C C 42 175.400 179.355 -3.955 1
1 115 . 15 1 1 A 12 12 GLN CA C 42 56.500 58.829 -2.329 1
1 116 . 15 1 1 A 12 12 GLN CB C 42 25.800 28.462 -2.662 1
1 118 . 15 1 1 A 12 12 GLN N N 42 116.800 117.613 -0.813 1
1 119 . 15 1 1 A 13 13 GLY H H 43 7.810 8.368 -0.558 1
1 120 . 15 1 1 A 13 13 GLY HA2 H 43 3.850 3.724 0.126 1
1 121 . 15 1 1 A 13 13 GLY HA3 H 43 3.910 3.724 0.186 1
1 122 . 15 1 1 A 13 13 GLY C C 43 173.000 176.191 -3.191 1
1 123 . 15 1 1 A 13 13 GLY CA C 43 43.800 47.354 -3.554 1
1 124 . 15 1 1 A 13 13 GLY N N 43 105.400 108.465 -3.065 1
1 125 . 15 1 1 A 14 14 LEU H H 44 7.650 8.287 -0.637 1
1 126 . 15 1 1 A 14 14 LEU HA H 44 4.210 4.043 0.167 1
1 136 . 15 1 1 A 14 14 LEU C C 44 176.000 178.691 -2.691 1
1 137 . 15 1 1 A 14 14 LEU CA C 44 54.200 58.036 -3.836 1
1 138 . 15 1 1 A 14 14 LEU CB C 44 40.000 41.902 -1.902 1
1 142 . 15 1 1 A 14 14 LEU N N 44 120.900 123.151 -2.251 1
1 143 . 15 1 1 A 15 15 VAL H H 45 7.760 8.203 -0.443 1
1 144 . 15 1 1 A 15 15 VAL HA H 45 3.740 3.598 0.142 1
1 152 . 15 1 1 A 15 15 VAL C C 45 173.100 177.775 -4.675 1
1 153 . 15 1 1 A 15 15 VAL CA C 45 61.800 67.031 -5.231 1
1 154 . 15 1 1 A 15 15 VAL CB C 45 29.100 31.155 -2.055 1
1 157 . 15 1 1 A 15 15 VAL N N 45 117.200 117.824 -0.624 1
1 158 . 15 1 1 A 16 16 ASN H H 46 7.820 8.044 -0.224 1
1 159 . 15 1 1 A 16 16 ASN HA H 46 4.600 4.551 0.049 1
1 161 . 15 1 1 A 16 16 ASN CA C 46 51.400 56.117 -4.717 1
1 162 . 15 1 1 A 16 16 ASN CB C 46 36.000 39.080 -3.080 1
1 163 . 15 1 1 A 16 16 ASN N N 46 118.400 119.153 -0.753 1
1 164 . 15 1 1 A 17 17 SER H H 47 8.160 7.540 0.620 1
1 165 . 15 1 1 A 17 17 SER HA H 47 4.380 4.657 -0.277 1
1 168 . 15 1 1 A 17 17 SER CA C 47 57.900 57.486 0.414 1
1 169 . 15 1 1 A 17 17 SER CB C 47 61.000 63.239 -2.239 1
1 170 . 15 1 1 A 18 18 THR H H 48 8.130 7.866 0.264 1
1 171 . 15 1 1 A 18 18 THR HA H 48 3.990 4.546 -0.556 1
1 176 . 15 1 1 A 18 18 THR C C 48 173.800 175.089 -1.289 1
1 177 . 15 1 1 A 18 18 THR CA C 48 63.500 63.949 -0.449 1
1 178 . 15 1 1 A 18 18 THR CB C 48 66.000 70.522 -4.522 1
1 180 . 15 1 1 A 18 18 THR N N 48 118.300 117.625 0.675 1
1 181 . 15 1 1 A 19 19 VAL H H 49 8.100 8.480 -0.380 1
1 182 . 15 1 1 A 19 19 VAL HA H 49 3.640 3.772 -0.132 1
1 190 . 15 1 1 A 19 19 VAL C C 49 174.700 177.870 -3.170 1
1 191 . 15 1 1 A 19 19 VAL CA C 49 64.000 65.237 -1.237 1
1 192 . 15 1 1 A 19 19 VAL CB C 49 29.000 31.266 -2.266 1
1 195 . 15 1 1 A 19 19 VAL N N 49 120.800 121.382 -0.582 1
1 196 . 15 1 1 A 20 20 THR H H 50 7.830 8.249 -0.419 1
1 197 . 15 1 1 A 20 20 THR HA H 50 3.740 3.906 -0.166 1
1 202 . 15 1 1 A 20 20 THR C C 50 173.800 176.932 -3.132 1
1 203 . 15 1 1 A 20 20 THR CA C 50 64.400 65.243 -0.843 1
1 204 . 15 1 1 A 20 20 THR CB C 50 65.500 68.672 -3.172 1
1 206 . 15 1 1 A 20 20 THR N N 50 114.000 116.150 -2.150 1
1 207 . 15 1 1 A 21 21 GLN H H 51 7.920 7.962 -0.042 1
1 208 . 15 1 1 A 21 21 GLN HA H 51 3.970 4.113 -0.143 1
1 211 . 15 1 1 A 21 21 GLN C C 51 175.900 177.953 -2.053 1
1 212 . 15 1 1 A 21 21 GLN CA C 51 56.300 58.713 -2.413 1
1 213 . 15 1 1 A 21 21 GLN CB C 51 25.700 28.701 -3.001 1
1 215 . 15 1 1 A 21 21 GLN N N 51 118.400 120.803 -2.403 1
1 216 . 15 1 1 A 22 22 ALA H H 52 7.960 7.688 0.272 1
1 217 . 15 1 1 A 22 22 ALA HA H 52 4.160 4.133 0.027 1
1 221 . 15 1 1 A 22 22 ALA C C 52 176.800 179.941 -3.141 1
1 222 . 15 1 1 A 22 22 ALA CA C 52 52.800 55.186 -2.386 1
1 223 . 15 1 1 A 22 22 ALA CB C 52 15.700 18.166 -2.466 1
1 224 . 15 1 1 A 22 22 ALA N N 52 122.200 122.558 -0.358 1
1 225 . 15 1 1 A 23 23 ILE H H 53 8.100 7.444 0.656 1
1 226 . 15 1 1 A 23 23 ILE HA H 53 3.660 3.707 -0.047 1
1 236 . 15 1 1 A 23 23 ILE C C 53 175.300 178.332 -3.032 1
1 237 . 15 1 1 A 23 23 ILE CA C 53 62.700 65.107 -2.407 1
1 238 . 15 1 1 A 23 23 ILE CB C 53 35.100 37.727 -2.627 1
1 242 . 15 1 1 A 23 23 ILE N N 53 117.500 119.117 -1.617 1
1 243 . 15 1 1 A 24 24 LEU H H 54 8.160 7.722 0.438 1
1 244 . 15 1 1 A 24 24 LEU HA H 54 3.970 4.021 -0.051 1
1 254 . 15 1 1 A 24 24 LEU C C 54 176.600 178.814 -2.214 1
1 255 . 15 1 1 A 24 24 LEU CA C 54 55.500 57.935 -2.435 1
1 256 . 15 1 1 A 24 24 LEU CB C 54 38.700 41.599 -2.899 1
1 260 . 15 1 1 A 24 24 LEU N N 54 118.900 119.282 -0.382 1
1 261 . 15 1 1 A 25 25 PHE H H 55 8.200 8.665 -0.465 1
1 262 . 15 1 1 A 25 25 PHE HA H 55 4.240 4.189 0.051 1
1 267 . 15 1 1 A 25 25 PHE C C 55 176.300 178.044 -1.744 1
1 268 . 15 1 1 A 25 25 PHE CA C 55 58.500 61.479 -2.979 1
1 269 . 15 1 1 A 25 25 PHE CB C 55 36.300 39.067 -2.767 1
1 273 . 15 1 1 A 25 25 PHE N N 55 119.100 121.791 -2.691 1
1 274 . 15 1 1 A 26 26 GLY H H 56 8.570 8.517 0.053 1
1 275 . 15 1 1 A 26 26 GLY HA2 H 56 3.580 3.696 -0.116 1
1 276 . 15 1 1 A 26 26 GLY HA3 H 56 3.670 3.741 -0.071 1
1 277 . 15 1 1 A 26 26 GLY C C 56 172.200 175.913 -3.713 1
1 278 . 15 1 1 A 26 26 GLY CA C 56 44.900 47.112 -2.212 1
1 279 . 15 1 1 A 26 26 GLY N N 56 108.900 106.723 2.177 1
1 280 . 15 1 1 A 27 27 VAL H H 57 8.550 8.018 0.532 1
1 281 . 15 1 1 A 27 27 VAL HA H 57 3.640 3.650 -0.010 1
1 289 . 15 1 1 A 27 27 VAL C C 57 175.000 177.708 -2.708 1
1 290 . 15 1 1 A 27 27 VAL CA C 57 63.800 66.035 -2.235 1
1 291 . 15 1 1 A 27 27 VAL CB C 57 29.000 31.510 -2.510 1
1 294 . 15 1 1 A 27 27 VAL N N 57 120.000 121.804 -1.804 1
1 295 . 15 1 1 A 28 28 ARG H H 58 8.030 8.037 -0.007 1
1 296 . 15 1 1 A 28 28 ARG HA H 58 4.020 4.042 -0.022 1
1 301 . 15 1 1 A 28 28 ARG C C 58 176.700 178.549 -1.849 1
1 302 . 15 1 1 A 28 28 ARG CA C 58 56.700 58.545 -1.845 1
1 303 . 15 1 1 A 28 28 ARG CB C 58 27.600 30.090 -2.490 1
1 306 . 15 1 1 A 28 28 ARG N N 58 118.300 120.679 -2.379 1
1 307 . 15 1 1 A 29 29 SER H H 59 8.020 7.889 0.131 1
1 308 . 15 1 1 A 29 29 SER HA H 59 4.280 4.045 0.235 1
1 310 . 15 1 1 A 29 29 SER C C 59 173.300 176.772 -3.472 1
1 311 . 15 1 1 A 29 29 SER CA C 59 58.200 62.567 -4.367 1
1 312 . 15 1 1 A 29 29 SER CB C 59 60.700 62.200 -1.500 1
1 313 . 15 1 1 A 29 29 SER N N 59 114.700 116.821 -2.121 1
1 314 . 15 1 1 A 30 30 GLY H H 60 8.310 8.547 -0.237 1
1 315 . 15 1 1 A 30 30 GLY HA2 H 60 3.630 3.836 -0.206 1
1 316 . 15 1 1 A 30 30 GLY HA3 H 60 3.750 3.900 -0.150 1
1 317 . 15 1 1 A 30 30 GLY C C 60 171.900 175.792 -3.892 1
1 318 . 15 1 1 A 30 30 GLY CA C 60 44.500 47.435 -2.935 1
1 319 . 15 1 1 A 30 30 GLY N N 60 109.700 109.754 -0.054 1
1 320 . 15 1 1 A 31 31 ALA H H 61 8.330 8.073 0.257 1
1 321 . 15 1 1 A 31 31 ALA HA H 61 3.970 4.073 -0.103 1
1 325 . 15 1 1 A 31 31 ALA C C 61 177.200 179.991 -2.791 1
1 326 . 15 1 1 A 31 31 ALA CA C 61 52.900 54.781 -1.881 1
1 327 . 15 1 1 A 31 31 ALA CB C 61 15.500 18.197 -2.697 1
1 328 . 15 1 1 A 31 31 ALA N N 61 122.700 124.472 -1.772 1
1 329 . 15 1 1 A 32 32 ALA H H 62 7.860 8.207 -0.347 1
1 330 . 15 1 1 A 32 32 ALA HA H 62 4.120 3.996 0.124 1
1 334 . 15 1 1 A 32 32 ALA C C 62 177.400 179.653 -2.253 1
1 335 . 15 1 1 A 32 32 ALA CA C 62 52.200 54.959 -2.759 1
1 336 . 15 1 1 A 32 32 ALA CB C 62 15.600 18.177 -2.577 1
1 337 . 15 1 1 A 32 32 ALA N N 62 120.400 120.086 0.314 1
1 338 . 15 1 1 A 33 33 ALA H H 63 7.920 8.082 -0.162 1
1 339 . 15 1 1 A 33 33 ALA HA H 63 4.070 4.038 0.032 1
1 343 . 15 1 1 A 33 33 ALA C C 63 176.200 180.045 -3.845 1
1 344 . 15 1 1 A 33 33 ALA CA C 63 52.100 54.995 -2.895 1
1 345 . 15 1 1 A 33 33 ALA CB C 63 15.800 18.409 -2.609 1
1 346 . 15 1 1 A 33 33 ALA N N 63 120.100 120.856 -0.756 1
1 347 . 15 1 1 A 34 34 LEU H H 64 8.090 8.294 -0.204 1
1 348 . 15 1 1 A 34 34 LEU HA H 64 3.980 4.044 -0.064 1
1 358 . 15 1 1 A 34 34 LEU C C 64 175.900 178.774 -2.874 1
1 359 . 15 1 1 A 34 34 LEU CA C 64 55.500 58.064 -2.564 1
1 360 . 15 1 1 A 34 34 LEU CB C 64 39.100 41.895 -2.795 1
1 364 . 15 1 1 A 34 34 LEU N N 64 116.400 120.043 -3.643 1
1 365 . 15 1 1 A 35 35 THR H H 65 7.860 8.093 -0.233 1
1 366 . 15 1 1 A 35 35 THR HA H 65 3.770 3.913 -0.143 1
1 371 . 15 1 1 A 35 35 THR C C 65 173.100 176.660 -3.560 1
1 372 . 15 1 1 A 35 35 THR CA C 65 64.600 65.363 -0.763 1
1 373 . 15 1 1 A 35 35 THR CB C 65 66.000 68.888 -2.888 1
1 375 . 15 1 1 A 35 35 THR N N 65 113.500 114.152 -0.652 1
1 376 . 15 1 1 A 36 36 LEU H H 66 7.430 7.771 -0.341 1
1 377 . 15 1 1 A 36 36 LEU HA H 66 4.000 3.928 0.072 1
1 387 . 15 1 1 A 36 36 LEU C C 66 176.800 178.464 -1.664 1
1 388 . 15 1 1 A 36 36 LEU CA C 66 55.500 58.145 -2.645 1
1 389 . 15 1 1 A 36 36 LEU CB C 66 39.200 40.984 -1.784 1
1 393 . 15 1 1 A 36 36 LEU N N 66 120.200 121.368 -1.168 1
1 394 . 15 1 1 A 37 37 ILE H H 67 7.750 7.953 -0.203 1
1 395 . 15 1 1 A 37 37 ILE HA H 67 3.800 3.552 0.248 1
1 405 . 15 1 1 A 37 37 ILE C C 67 175.000 178.019 -3.019 1
1 406 . 15 1 1 A 37 37 ILE CA C 67 62.600 65.614 -3.014 1
1 407 . 15 1 1 A 37 37 ILE CB C 67 35.300 37.494 -2.194 1
1 411 . 15 1 1 A 37 37 ILE N N 67 119.600 118.996 0.604 1
1 412 . 15 1 1 A 38 38 VAL H H 68 8.250 7.860 0.390 1
1 413 . 15 1 1 A 38 38 VAL HA H 68 3.590 3.657 -0.067 1
1 421 . 15 1 1 A 38 38 VAL C C 68 176.600 178.067 -1.467 1
1 422 . 15 1 1 A 38 38 VAL CA C 68 65.000 66.849 -1.849 1
1 423 . 15 1 1 A 38 38 VAL CB C 68 28.900 31.704 -2.804 1
1 426 . 15 1 1 A 38 38 VAL N N 68 119.600 119.642 -0.042 1
1 427 . 15 1 1 A 39 39 VAL H H 69 8.370 8.596 -0.226 1
1 428 . 15 1 1 A 39 39 VAL HA H 69 3.620 3.841 -0.221 1
1 436 . 15 1 1 A 39 39 VAL C C 69 175.800 178.166 -2.366 1
1 437 . 15 1 1 A 39 39 VAL CA C 69 64.200 65.231 -1.031 1
1 438 . 15 1 1 A 39 39 VAL CB C 69 28.900 31.346 -2.446 1
1 441 . 15 1 1 A 39 39 VAL N N 69 121.700 119.329 2.371 1
1 442 . 15 1 1 A 40 40 TRP H H 70 8.320 8.484 -0.164 1
1 443 . 15 1 1 A 40 40 TRP HA H 70 4.150 4.347 -0.197 1
1 449 . 15 1 1 A 40 40 TRP C C 70 176.600 179.170 -2.570 1
1 450 . 15 1 1 A 40 40 TRP CA C 70 59.700 59.873 -0.173 1
1 451 . 15 1 1 A 40 40 TRP CB C 70 26.400 29.377 -2.977 1
1 454 . 15 1 1 A 40 40 TRP N N 70 122.400 121.735 0.665 1
1 456 . 15 1 1 A 41 41 ILE H H 71 8.780 8.183 0.597 1
1 457 . 15 1 1 A 41 41 ILE HA H 71 3.510 3.774 -0.264 1
1 467 . 15 1 1 A 41 41 ILE C C 71 175.600 178.462 -2.862 1
1 468 . 15 1 1 A 41 41 ILE CA C 71 62.500 64.415 -1.915 1
1 469 . 15 1 1 A 41 41 ILE CB C 71 35.700 37.768 -2.068 1
1 473 . 15 1 1 A 41 41 ILE N N 71 117.500 120.412 -2.912 1
1 474 . 15 1 1 A 42 42 THR H H 72 8.280 8.347 -0.067 1
1 475 . 15 1 1 A 42 42 THR HA H 72 4.000 3.978 0.022 1
1 480 . 15 1 1 A 42 42 THR C C 72 173.800 176.921 -3.121 1
1 481 . 15 1 1 A 42 42 THR CA C 72 62.500 65.750 -3.250 1
1 482 . 15 1 1 A 42 42 THR CB C 72 66.500 68.695 -2.195 1
1 484 . 15 1 1 A 42 42 THR N N 72 110.700 114.268 -3.568 1
1 485 . 15 1 1 A 43 43 SER H H 73 7.810 8.145 -0.335 1
1 486 . 15 1 1 A 43 43 SER HA H 73 4.320 4.407 -0.087 1
1 488 . 15 1 1 A 43 43 SER C C 73 172.800 173.803 -1.003 1
1 489 . 15 1 1 A 43 43 SER CA C 73 57.600 59.418 -1.818 1
1 490 . 15 1 1 A 43 43 SER CB C 73 60.900 63.676 -2.776 1
1 491 . 15 1 1 A 43 43 SER N N 73 115.900 115.172 0.728 1
1 492 . 15 1 1 A 44 44 ARG H H 74 7.490 7.502 -0.012 1
1 493 . 15 1 1 A 44 44 ARG HA H 74 4.120 4.033 0.087 1
1 500 . 15 1 1 A 44 44 ARG C C 74 174.200 175.827 -1.627 1
1 501 . 15 1 1 A 44 44 ARG CA C 74 53.600 56.488 -2.888 1
1 502 . 15 1 1 A 44 44 ARG CB C 74 27.700 27.863 -0.163 1
1 505 . 15 1 1 A 44 44 ARG N N 74 120.100 118.615 1.485 1
1 506 . 15 1 1 A 45 45 SER H H 75 7.890 7.149 0.741 1
1 507 . 15 1 1 A 45 45 SER HA H 75 4.210 3.674 0.536 1
1 509 . 15 1 1 A 45 45 SER C C 75 172.300 173.032 -0.732 1
1 510 . 15 1 1 A 45 45 SER CA C 75 56.800 61.083 -4.283 1
1 511 . 15 1 1 A 45 45 SER CB C 75 60.900 62.232 -1.332 1
1 512 . 15 1 1 A 45 45 SER N N 75 114.400 113.943 0.457 1
1 513 . 15 1 1 A 46 46 ARG H H 76 7.850 7.469 0.381 1
1 514 . 15 1 1 A 46 46 ARG HA H 76 4.220 4.768 -0.548 1
1 519 . 15 1 1 A 46 46 ARG C C 76 173.500 175.546 -2.046 1
1 520 . 15 1 1 A 46 46 ARG CA C 76 53.900 54.281 -0.381 1
1 521 . 15 1 1 A 46 46 ARG CB C 76 27.800 34.516 -6.716 1
1 524 . 15 1 1 A 46 46 ARG N N 76 120.600 117.164 3.436 1
1 525 . 15 1 1 A 47 47 LYS H H 77 7.900 8.582 -0.682 1
1 526 . 15 1 1 A 47 47 LYS HA H 77 4.320 4.350 -0.030 1
1 533 . 15 1 1 A 47 47 LYS C C 77 173.600 175.975 -2.375 1
1 534 . 15 1 1 A 47 47 LYS CA C 77 53.400 55.713 -2.313 1
1 535 . 15 1 1 A 47 47 LYS CB C 77 30.500 30.881 -0.381 1
1 539 . 15 1 1 A 47 47 LYS N N 77 119.100 121.905 -2.805 1
1 540 . 15 1 1 A 48 48 THR H H 78 7.840 8.160 -0.320 1
1 541 . 15 1 1 A 48 48 THR HA H 78 4.390 4.586 -0.196 1
1 546 . 15 1 1 A 48 48 THR C C 78 174.000 173.945 0.055 1
1 547 . 15 1 1 A 48 48 THR CA C 78 59.500 60.798 -1.298 1
1 548 . 15 1 1 A 48 48 THR CB C 78 66.600 68.924 -2.324 1
1 550 . 15 1 1 A 48 48 THR N N 78 116.200 113.765 2.435 1
1 551 . 15 1 1 A 49 49 PRO HA H 79 4.410 4.655 -0.245 1
1 557 . 15 1 1 A 49 49 PRO CA C 79 60.800 63.198 -2.398 1
1 558 . 15 1 1 A 49 49 PRO CB C 79 28.900 31.972 -3.072 1
1 561 . 15 1 1 A 50 50 ILE H H 80 7.850 8.543 -0.693 1
1 562 . 15 1 1 A 50 50 ILE HA H 80 3.880 3.827 0.053 1
1 572 . 15 1 1 A 50 50 ILE C C 80 173.500 177.690 -4.190 1
1 573 . 15 1 1 A 50 50 ILE CA C 80 59.800 64.308 -4.508 1
1 574 . 15 1 1 A 50 50 ILE CB C 80 35.600 37.694 -2.094 1
1 578 . 15 1 1 A 50 50 ILE N N 80 119.400 123.930 -4.530 1
1 579 . 15 1 1 A 51 51 PHE H H 81 7.730 8.459 -0.729 1
1 580 . 15 1 1 A 51 51 PHE HA H 81 4.500 4.160 0.340 1
1 585 . 15 1 1 A 51 51 PHE CA C 81 56.200 61.703 -5.503 1
1 586 . 15 1 1 A 51 51 PHE CB C 81 36.500 39.410 -2.910 1
1 590 . 15 1 1 A 51 51 PHE N N 81 118.900 123.507 -4.607 1
1 591 . 15 1 1 A 52 52 ILE H H 82 7.420 8.210 -0.790 1
1 592 . 15 1 1 A 52 52 ILE HA H 82 3.880 3.689 0.191 1
1 602 . 15 1 1 A 52 52 ILE C C 82 173.800 177.979 -4.179 1
1 603 . 15 1 1 A 52 52 ILE CA C 82 59.700 65.025 -5.325 1
1 604 . 15 1 1 A 52 52 ILE CB C 82 35.400 38.153 -2.753 1
1 608 . 15 1 1 A 52 52 ILE N N 82 118.000 120.381 -2.381 1
1 609 . 15 1 1 A 53 53 ILE H H 83 7.540 8.103 -0.563 1
1 610 . 15 1 1 A 53 53 ILE HA H 83 3.890 3.559 0.331 1
1 620 . 15 1 1 A 53 53 ILE C C 83 174.300 178.299 -3.999 1
1 621 . 15 1 1 A 53 53 ILE CA C 83 59.800 65.360 -5.560 1
1 622 . 15 1 1 A 53 53 ILE CB C 83 35.600 37.958 -2.358 1
1 626 . 15 1 1 A 53 53 ILE N N 83 119.300 119.818 -0.518 1
1 627 . 15 1 1 A 54 54 ASN H H 84 8.030 8.711 -0.681 1
1 628 . 15 1 1 A 54 54 ASN HA H 84 4.620 4.419 0.201 1
1 631 . 15 1 1 A 54 54 ASN CA C 84 51.500 56.494 -4.994 1
1 632 . 15 1 1 A 54 54 ASN CB C 84 36.500 38.116 -1.616 1
1 633 . 15 1 1 A 54 54 ASN N N 84 118.300 118.785 -0.485 1
1 634 . 15 1 1 A 55 55 GLN H H 85 8.040 8.416 -0.376 1
1 635 . 15 1 1 A 55 55 GLN HA H 85 4.210 3.991 0.219 1
1 639 . 15 1 1 A 55 55 GLN CA C 85 54.400 59.231 -4.831 1
1 640 . 15 1 1 A 55 55 GLN CB C 85 25.600 28.297 -2.697 1
1 642 . 15 1 1 A 56 56 VAL H H 86 7.720 8.474 -0.754 1
1 643 . 15 1 1 A 56 56 VAL HA H 86 3.800 3.610 0.190 1
1 651 . 15 1 1 A 56 56 VAL C C 86 174.200 178.187 -3.987 1
1 652 . 15 1 1 A 56 56 VAL CA C 86 62.700 66.962 -4.262 1
1 653 . 15 1 1 A 56 56 VAL CB C 86 29.100 31.513 -2.413 1
1 656 . 15 1 1 A 56 56 VAL N N 86 118.700 120.390 -1.690 1
1 657 . 15 1 1 A 57 57 SER H H 87 8.080 8.168 -0.088 1
1 658 . 15 1 1 A 57 57 SER HA H 87 4.200 4.097 0.103 1
1 660 . 15 1 1 A 57 57 SER C C 87 173.800 176.199 -2.399 1
1 661 . 15 1 1 A 57 57 SER CA C 87 58.400 62.131 -3.731 1
1 662 . 15 1 1 A 57 57 SER CB C 87 60.000 63.112 -3.112 1
1 663 . 15 1 1 A 57 57 SER N N 87 115.300 116.472 -1.172 1
1 664 . 15 1 1 A 58 58 LEU H H 88 7.780 8.608 -0.828 1
1 665 . 15 1 1 A 58 58 LEU HA H 88 4.060 3.946 0.114 1
1 675 . 15 1 1 A 58 58 LEU CA C 88 55.300 57.920 -2.620 1
1 676 . 15 1 1 A 58 58 LEU CB C 88 39.200 41.944 -2.744 1
1 680 . 15 1 1 A 58 58 LEU N N 88 121.900 121.220 0.680 1
1 681 . 15 1 1 A 59 59 PHE H H 89 7.980 8.747 -0.767 1
1 682 . 15 1 1 A 59 59 PHE HA H 89 4.190 4.075 0.115 1
1 687 . 15 1 1 A 59 59 PHE C C 89 174.600 176.898 -2.298 1
1 688 . 15 1 1 A 59 59 PHE CA C 89 58.300 61.541 -3.241 1
1 689 . 15 1 1 A 59 59 PHE CB C 89 35.900 39.139 -3.239 1
1 693 . 15 1 1 A 59 59 PHE N N 89 117.100 119.528 -2.428 1
1 694 . 15 1 1 A 60 60 LEU H H 90 8.010 8.348 -0.338 1
1 695 . 15 1 1 A 60 60 LEU HA H 90 3.870 3.704 0.166 1
1 705 . 15 1 1 A 60 60 LEU C C 90 176.800 179.271 -2.471 1
1 706 . 15 1 1 A 60 60 LEU CA C 90 55.400 58.355 -2.955 1
1 707 . 15 1 1 A 60 60 LEU CB C 90 38.900 42.077 -3.177 1
1 711 . 15 1 1 A 60 60 LEU N N 90 117.700 119.691 -1.991 1
1 712 . 15 1 1 A 61 61 ILE H H 91 7.910 7.874 0.036 1
1 713 . 15 1 1 A 61 61 ILE HA H 91 3.790 3.510 0.280 1
1 723 . 15 1 1 A 61 61 ILE CA C 91 62.500 65.256 -2.756 1
1 724 . 15 1 1 A 61 61 ILE CB C 91 35.400 37.588 -2.188 1
1 728 . 15 1 1 A 61 61 ILE N N 91 118.400 117.705 0.695 1
1 729 . 15 1 1 A 62 62 ILE H H 92 7.930 8.666 -0.736 1
1 730 . 15 1 1 A 62 62 ILE HA H 92 3.620 3.506 0.114 1
1 740 . 15 1 1 A 62 62 ILE C C 92 175.000 177.875 -2.875 1
1 741 . 15 1 1 A 62 62 ILE CA C 92 62.800 65.525 -2.725 1
1 742 . 15 1 1 A 62 62 ILE CB C 92 34.600 37.861 -3.261 1
1 746 . 15 1 1 A 62 62 ILE N N 92 121.800 120.671 1.129 1
1 747 . 15 1 1 A 63 63 LEU H H 93 8.250 8.289 -0.039 1
1 748 . 15 1 1 A 63 63 LEU HA H 93 3.880 3.834 0.046 1
1 758 . 15 1 1 A 63 63 LEU C C 93 175.900 178.814 -2.914 1
1 759 . 15 1 1 A 63 63 LEU CA C 93 55.800 58.461 -2.661 1
1 760 . 15 1 1 A 63 63 LEU CB C 93 39.100 41.635 -2.535 1
1 764 . 15 1 1 A 63 63 LEU N N 93 119.800 121.473 -1.673 1
1 765 . 15 1 1 A 64 64 HIS H H 94 8.330 8.582 -0.252 1
1 766 . 15 1 1 A 64 64 HIS HA H 94 4.290 4.122 0.168 1
1 770 . 15 1 1 A 64 64 HIS C C 94 175.200 177.205 -2.005 1
1 771 . 15 1 1 A 64 64 HIS CA C 94 56.000 59.974 -3.974 1
1 772 . 15 1 1 A 64 64 HIS CB C 94 25.900 29.583 -3.683 1
1 775 . 15 1 1 A 64 64 HIS N N 94 114.700 118.604 -3.904 1
1 776 . 15 1 1 A 65 65 SER H H 95 8.150 8.540 -0.390 1
1 777 . 15 1 1 A 65 65 SER HA H 95 4.250 4.058 0.192 1
1 779 . 15 1 1 A 65 65 SER C C 95 172.500 176.505 -4.005 1
1 780 . 15 1 1 A 65 65 SER CA C 95 59.900 62.033 -2.133 1
1 781 . 15 1 1 A 65 65 SER CB C 95 60.500 62.773 -2.273 1
1 782 . 15 1 1 A 65 65 SER N N 95 116.200 115.537 0.663 1
1 783 . 15 1 1 A 66 66 ALA H H 96 8.220 8.354 -0.134 1
1 784 . 15 1 1 A 66 66 ALA HA H 96 4.080 4.264 -0.184 1
1 788 . 15 1 1 A 66 66 ALA C C 96 176.400 180.006 -3.606 1
1 789 . 15 1 1 A 66 66 ALA CA C 96 52.600 55.246 -2.646 1
1 790 . 15 1 1 A 66 66 ALA CB C 96 15.600 17.979 -2.379 1
1 791 . 15 1 1 A 66 66 ALA N N 96 123.500 123.754 -0.254 1
1 792 . 15 1 1 A 67 67 LEU H H 97 7.870 8.514 -0.644 1
1 793 . 15 1 1 A 67 67 LEU HA H 97 3.980 3.899 0.081 1
1 803 . 15 1 1 A 67 67 LEU C C 97 176.700 178.962 -2.262 1
1 804 . 15 1 1 A 67 67 LEU CA C 97 55.000 57.889 -2.889 1
1 805 . 15 1 1 A 67 67 LEU CB C 97 38.700 42.049 -3.349 1
1 809 . 15 1 1 A 67 67 LEU N N 97 115.800 118.850 -3.050 1
1 810 . 15 1 1 A 68 68 TYR H H 98 7.830 8.509 -0.679 1
1 811 . 15 1 1 A 68 68 TYR HA H 98 4.320 4.109 0.211 1
1 816 . 15 1 1 A 68 68 TYR C C 98 174.900 177.532 -2.632 1
1 817 . 15 1 1 A 68 68 TYR CA C 98 58.200 61.887 -3.687 1
1 818 . 15 1 1 A 68 68 TYR CB C 98 35.500 38.211 -2.711 1
1 821 . 15 1 1 A 68 68 TYR N N 98 120.300 119.283 1.017 1
1 822 . 15 1 1 A 69 69 PHE H H 99 8.110 8.743 -0.633 1
1 823 . 15 1 1 A 69 69 PHE HA H 99 4.200 4.278 -0.078 1
1 828 . 15 1 1 A 69 69 PHE C C 99 173.600 177.254 -3.654 1
1 829 . 15 1 1 A 69 69 PHE CA C 99 58.400 61.595 -3.195 1
1 830 . 15 1 1 A 69 69 PHE CB C 99 36.100 39.297 -3.197 1
1 834 . 15 1 1 A 69 69 PHE N N 99 117.600 121.004 -3.404 1
1 835 . 15 1 1 A 70 70 LYS H H 100 8.030 8.629 -0.599 1
1 836 . 15 1 1 A 70 70 LYS HA H 100 3.800 3.945 -0.145 1
1 843 . 15 1 1 A 70 70 LYS C C 100 175.700 178.602 -2.902 1
1 844 . 15 1 1 A 70 70 LYS CA C 100 57.300 59.426 -2.126 1
1 845 . 15 1 1 A 70 70 LYS CB C 100 29.500 31.888 -2.388 1
1 849 . 15 1 1 A 70 70 LYS N N 100 118.300 117.497 0.803 1
1 850 . 15 1 1 A 71 71 TYR H H 101 7.720 8.373 -0.653 1
1 851 . 15 1 1 A 71 71 TYR HA H 101 4.210 4.049 0.161 1
1 856 . 15 1 1 A 71 71 TYR C C 101 175.300 177.921 -2.621 1
1 857 . 15 1 1 A 71 71 TYR CA C 101 57.800 61.393 -3.593 1
1 858 . 15 1 1 A 71 71 TYR CB C 101 34.700 38.722 -4.022 1
1 861 . 15 1 1 A 71 71 TYR N N 101 119.600 121.068 -1.468 1
1 862 . 15 1 1 A 72 72 LEU H H 102 7.950 7.923 0.027 1
1 863 . 15 1 1 A 72 72 LEU HA H 102 3.800 3.877 -0.077 1
1 870 . 15 1 1 A 72 72 LEU C C 102 176.300 178.418 -2.118 1
1 871 . 15 1 1 A 72 72 LEU CA C 102 55.100 56.639 -1.539 1
1 872 . 15 1 1 A 72 72 LEU CB C 102 39.500 41.700 -2.200 1
1 876 . 15 1 1 A 72 72 LEU N N 102 121.000 118.355 2.645 1
1 877 . 15 1 1 A 73 73 LEU H H 103 7.870 7.904 -0.034 1
1 878 . 15 1 1 A 73 73 LEU HA H 103 4.030 4.205 -0.175 1
1 888 . 15 1 1 A 73 73 LEU C C 103 176.200 178.752 -2.552 1
1 889 . 15 1 1 A 73 73 LEU CA C 103 54.500 57.341 -2.841 1
1 890 . 15 1 1 A 73 73 LEU CB C 103 39.200 41.696 -2.496 1
1 894 . 15 1 1 A 73 73 LEU N N 103 116.900 119.413 -2.513 1
1 895 . 15 1 1 A 74 74 SER H H 104 7.780 8.301 -0.521 1
1 896 . 15 1 1 A 74 74 SER HA H 104 4.230 4.107 0.123 1
1 898 . 15 1 1 A 74 74 SER C C 104 172.800 177.010 -4.210 1
1 899 . 15 1 1 A 74 74 SER CA C 104 57.900 61.232 -3.332 1
1 900 . 15 1 1 A 74 74 SER CB C 104 60.800 63.096 -2.296 1
1 901 . 15 1 1 A 74 74 SER N N 104 113.200 115.257 -2.057 1
1 902 . 15 1 1 A 75 75 ASN H H 105 7.720 7.828 -0.108 1
1 903 . 15 1 1 A 75 75 ASN HA H 105 4.530 4.593 -0.063 1
1 906 . 15 1 1 A 75 75 ASN C C 105 173.100 178.151 -5.051 1
1 907 . 15 1 1 A 75 75 ASN CA C 105 51.800 56.132 -4.332 1
1 908 . 15 1 1 A 75 75 ASN CB C 105 36.600 37.617 -1.017 1
1 909 . 15 1 1 A 75 75 ASN N N 105 118.400 119.884 -1.484 1
1 910 . 15 1 1 A 76 76 TYR H H 106 7.720 7.845 -0.125 1
1 911 . 15 1 1 A 76 76 TYR HA H 106 4.380 4.381 -0.001 1
1 916 . 15 1 1 A 76 76 TYR C C 106 173.000 176.205 -3.205 1
1 917 . 15 1 1 A 76 76 TYR CA C 106 56.700 59.246 -2.546 1
1 918 . 15 1 1 A 76 76 TYR CB C 106 36.100 38.076 -1.976 1
1 921 . 15 1 1 A 76 76 TYR N N 106 118.900 118.123 0.777 1
1 922 . 15 1 1 A 77 77 SER H H 107 7.650 7.704 -0.054 1
1 923 . 15 1 1 A 77 77 SER HA H 107 4.330 4.808 -0.478 1
1 926 . 15 1 1 A 77 77 SER C C 107 171.800 172.201 -0.401 1
1 927 . 15 1 1 A 77 77 SER CA C 107 55.800 56.731 -0.931 1
1 928 . 15 1 1 A 77 77 SER CB C 107 61.400 65.172 -3.772 1
1 929 . 15 1 1 A 77 77 SER N N 107 114.300 113.214 1.086 1
1 930 . 15 1 1 A 78 78 SER H H 108 7.940 8.920 -0.980 1
1 931 . 15 1 1 A 78 78 SER HA H 108 4.440 5.377 -0.937 1
1 933 . 15 1 1 A 78 78 SER C C 108 171.900 172.914 -1.014 1
1 934 . 15 1 1 A 78 78 SER CA C 108 55.800 56.291 -0.491 1
1 935 . 15 1 1 A 78 78 SER CB C 108 61.200 65.711 -4.511 1
1 936 . 15 1 1 A 78 78 SER N N 108 116.600 122.208 -5.608 1
1 937 . 15 1 1 A 79 79 VAL H H 109 7.850 8.640 -0.790 1
1 938 . 15 1 1 A 79 79 VAL HA H 109 4.170 4.583 -0.413 1
1 943 . 15 1 1 A 79 79 VAL C C 109 172.900 173.833 -0.933 1
1 944 . 15 1 1 A 79 79 VAL CA C 109 59.900 60.677 -0.777 1
1 945 . 15 1 1 A 79 79 VAL CB C 109 29.900 34.362 -4.462 1
1 948 . 15 1 1 A 79 79 VAL N N 109 120.200 122.621 -2.421 1
1 3 . 16 1 1 A 2 2 ASN HA H 32 4.710 4.412 0.298 1
1 6 . 16 1 1 A 2 2 ASN CA C 32 50.800 54.310 -3.510 1
1 7 . 16 1 1 A 2 2 ASN CB C 32 36.400 37.127 -0.727 1
1 8 . 16 1 1 A 3 3 GLY H H 33 8.470 8.327 0.143 1
1 9 . 16 1 1 A 3 3 GLY HA2 H 33 3.890 4.025 -0.135 1
1 10 . 16 1 1 A 3 3 GLY HA3 H 33 3.990 4.028 -0.038 1
1 11 . 16 1 1 A 3 3 GLY C C 33 171.500 172.983 -1.483 1
1 12 . 16 1 1 A 3 3 GLY CA C 33 42.900 44.431 -1.531 1
1 13 . 16 1 1 A 3 3 GLY N N 33 109.300 106.230 3.070 1
1 14 . 16 1 1 A 4 4 SER H H 34 8.020 8.217 -0.197 1
1 15 . 16 1 1 A 4 4 SER HA H 34 4.480 5.037 -0.557 1
1 17 . 16 1 1 A 4 4 SER C C 34 171.700 172.514 -0.814 1
1 18 . 16 1 1 A 4 4 SER CA C 34 55.600 57.550 -1.950 1
1 19 . 16 1 1 A 4 4 SER CB C 34 61.400 64.864 -3.464 1
1 20 . 16 1 1 A 4 4 SER N N 34 115.200 116.135 -0.935 1
1 21 . 16 1 1 A 5 5 THR H H 35 8.030 8.983 -0.953 1
1 22 . 16 1 1 A 5 5 THR HA H 35 4.300 4.584 -0.284 1
1 27 . 16 1 1 A 5 5 THR C C 35 171.400 173.930 -2.530 1
1 28 . 16 1 1 A 5 5 THR CA C 35 59.500 61.100 -1.600 1
1 29 . 16 1 1 A 5 5 THR CB C 35 67.200 69.675 -2.475 1
1 31 . 16 1 1 A 5 5 THR N N 35 115.600 122.019 -6.419 1
1 32 . 16 1 1 A 6 6 ILE H H 36 7.850 7.485 0.365 1
1 33 . 16 1 1 A 6 6 ILE HA H 36 4.260 4.542 -0.282 1
1 43 . 16 1 1 A 6 6 ILE C C 36 171.900 175.354 -3.454 1
1 44 . 16 1 1 A 6 6 ILE CA C 36 58.200 59.519 -1.319 1
1 45 . 16 1 1 A 6 6 ILE CB C 36 36.500 40.543 -4.043 1
1 49 . 16 1 1 A 6 6 ILE N N 36 122.000 122.588 -0.588 1
1 50 . 16 1 1 A 7 7 THR H H 37 7.680 8.442 -0.762 1
1 51 . 16 1 1 A 7 7 THR HA H 37 4.570 4.176 0.394 1
1 56 . 16 1 1 A 7 7 THR C C 37 172.800 176.179 -3.379 1
1 57 . 16 1 1 A 7 7 THR CA C 37 57.400 61.154 -3.754 1
1 58 . 16 1 1 A 7 7 THR CB C 37 68.700 70.574 -1.874 1
1 60 . 16 1 1 A 7 7 THR N N 37 114.700 118.203 -3.503 1
1 61 . 16 1 1 A 8 8 PHE H H 38 8.830 8.476 0.354 1
1 62 . 16 1 1 A 8 8 PHE HA H 38 4.250 4.309 -0.059 1
1 67 . 16 1 1 A 8 8 PHE C C 38 174.700 177.628 -2.928 1
1 68 . 16 1 1 A 8 8 PHE CA C 38 58.400 61.583 -3.183 1
1 69 . 16 1 1 A 8 8 PHE CB C 38 36.000 38.154 -2.154 1
1 73 . 16 1 1 A 8 8 PHE N N 38 120.900 122.306 -1.406 1
1 74 . 16 1 1 A 9 9 ASP H H 39 8.400 8.347 0.053 1
1 75 . 16 1 1 A 9 9 ASP HA H 39 4.280 4.382 -0.102 1
1 77 . 16 1 1 A 9 9 ASP C C 39 176.100 178.074 -1.974 1
1 78 . 16 1 1 A 9 9 ASP CA C 39 54.500 57.892 -3.392 1
1 79 . 16 1 1 A 9 9 ASP CB C 39 37.800 42.074 -4.274 1
1 80 . 16 1 1 A 9 9 ASP N N 39 117.400 121.100 -3.700 1
1 81 . 16 1 1 A 10 10 GLU H H 40 7.740 8.336 -0.596 1
1 82 . 16 1 1 A 10 10 GLU HA H 40 4.090 4.107 -0.017 1
1 86 . 16 1 1 A 10 10 GLU C C 40 176.100 179.428 -3.328 1
1 87 . 16 1 1 A 10 10 GLU CA C 40 55.700 59.102 -3.402 1
1 88 . 16 1 1 A 10 10 GLU CB C 40 26.800 29.505 -2.705 1
1 90 . 16 1 1 A 10 10 GLU N N 40 118.800 117.263 1.537 1
1 91 . 16 1 1 A 11 11 LEU H H 41 7.770 8.364 -0.594 1
1 92 . 16 1 1 A 11 11 LEU HA H 41 4.040 4.023 0.017 1
1 102 . 16 1 1 A 11 11 LEU C C 41 175.500 179.164 -3.664 1
1 103 . 16 1 1 A 11 11 LEU CA C 41 54.600 58.153 -3.553 1
1 104 . 16 1 1 A 11 11 LEU CB C 41 39.200 41.148 -1.948 1
1 108 . 16 1 1 A 11 11 LEU N N 41 119.500 120.908 -1.408 1
1 109 . 16 1 1 A 12 12 GLN H H 42 8.070 8.305 -0.235 1
1 110 . 16 1 1 A 12 12 GLN HA H 42 3.770 4.023 -0.253 1
1 114 . 16 1 1 A 12 12 GLN C C 42 175.400 179.301 -3.901 1
1 115 . 16 1 1 A 12 12 GLN CA C 42 56.500 58.884 -2.384 1
1 116 . 16 1 1 A 12 12 GLN CB C 42 25.800 28.499 -2.699 1
1 118 . 16 1 1 A 12 12 GLN N N 42 116.800 117.287 -0.487 1
1 119 . 16 1 1 A 13 13 GLY H H 43 7.810 8.286 -0.476 1
1 120 . 16 1 1 A 13 13 GLY HA2 H 43 3.850 3.689 0.161 1
1 121 . 16 1 1 A 13 13 GLY HA3 H 43 3.910 3.690 0.220 1
1 122 . 16 1 1 A 13 13 GLY C C 43 173.000 176.234 -3.234 1
1 123 . 16 1 1 A 13 13 GLY CA C 43 43.800 47.307 -3.507 1
1 124 . 16 1 1 A 13 13 GLY N N 43 105.400 108.845 -3.445 1
1 125 . 16 1 1 A 14 14 LEU H H 44 7.650 8.412 -0.762 1
1 126 . 16 1 1 A 14 14 LEU HA H 44 4.210 4.053 0.157 1
1 136 . 16 1 1 A 14 14 LEU C C 44 176.000 178.970 -2.970 1
1 137 . 16 1 1 A 14 14 LEU CA C 44 54.200 58.080 -3.880 1
1 138 . 16 1 1 A 14 14 LEU CB C 44 40.000 42.042 -2.042 1
1 142 . 16 1 1 A 14 14 LEU N N 44 120.900 123.109 -2.209 1
1 143 . 16 1 1 A 15 15 VAL H H 45 7.760 8.353 -0.593 1
1 144 . 16 1 1 A 15 15 VAL HA H 45 3.740 3.841 -0.101 1
1 152 . 16 1 1 A 15 15 VAL C C 45 173.100 177.380 -4.280 1
1 153 . 16 1 1 A 15 15 VAL CA C 45 61.800 64.830 -3.030 1
1 154 . 16 1 1 A 15 15 VAL CB C 45 29.100 31.461 -2.361 1
1 157 . 16 1 1 A 15 15 VAL N N 45 117.200 118.576 -1.376 1
1 158 . 16 1 1 A 16 16 ASN H H 46 7.820 8.157 -0.337 1
1 159 . 16 1 1 A 16 16 ASN HA H 46 4.600 4.553 0.047 1
1 161 . 16 1 1 A 16 16 ASN CA C 46 51.400 56.065 -4.665 1
1 162 . 16 1 1 A 16 16 ASN CB C 46 36.000 39.239 -3.239 1
1 163 . 16 1 1 A 16 16 ASN N N 46 118.400 120.557 -2.157 1
1 164 . 16 1 1 A 17 17 SER H H 47 8.160 7.664 0.496 1
1 165 . 16 1 1 A 17 17 SER HA H 47 4.380 4.739 -0.359 1
1 168 . 16 1 1 A 17 17 SER CA C 47 57.900 57.456 0.444 1
1 169 . 16 1 1 A 17 17 SER CB C 47 61.000 64.097 -3.097 1
1 170 . 16 1 1 A 18 18 THR H H 48 8.130 7.997 0.133 1
1 171 . 16 1 1 A 18 18 THR HA H 48 3.990 4.544 -0.554 1
1 176 . 16 1 1 A 18 18 THR C C 48 173.800 175.210 -1.410 1
1 177 . 16 1 1 A 18 18 THR CA C 48 63.500 64.155 -0.655 1
1 178 . 16 1 1 A 18 18 THR CB C 48 66.000 70.027 -4.027 1
1 180 . 16 1 1 A 18 18 THR N N 48 118.300 115.131 3.169 1
1 181 . 16 1 1 A 19 19 VAL H H 49 8.100 8.423 -0.323 1
1 182 . 16 1 1 A 19 19 VAL HA H 49 3.640 3.791 -0.151 1
1 190 . 16 1 1 A 19 19 VAL C C 49 174.700 178.036 -3.336 1
1 191 . 16 1 1 A 19 19 VAL CA C 49 64.000 65.181 -1.181 1
1 192 . 16 1 1 A 19 19 VAL CB C 49 29.000 31.410 -2.410 1
1 195 . 16 1 1 A 19 19 VAL N N 49 120.800 121.166 -0.366 1
1 196 . 16 1 1 A 20 20 THR H H 50 7.830 8.178 -0.348 1
1 197 . 16 1 1 A 20 20 THR HA H 50 3.740 3.910 -0.170 1
1 202 . 16 1 1 A 20 20 THR C C 50 173.800 176.719 -2.919 1
1 203 . 16 1 1 A 20 20 THR CA C 50 64.400 65.278 -0.878 1
1 204 . 16 1 1 A 20 20 THR CB C 50 65.500 68.678 -3.178 1
1 206 . 16 1 1 A 20 20 THR N N 50 114.000 116.192 -2.192 1
1 207 . 16 1 1 A 21 21 GLN H H 51 7.920 8.081 -0.161 1
1 208 . 16 1 1 A 21 21 GLN HA H 51 3.970 4.072 -0.102 1
1 211 . 16 1 1 A 21 21 GLN C C 51 175.900 177.955 -2.055 1
1 212 . 16 1 1 A 21 21 GLN CA C 51 56.300 58.316 -2.016 1
1 213 . 16 1 1 A 21 21 GLN CB C 51 25.700 29.037 -3.337 1
1 215 . 16 1 1 A 21 21 GLN N N 51 118.400 120.167 -1.767 1
1 216 . 16 1 1 A 22 22 ALA H H 52 7.960 7.717 0.243 1
1 217 . 16 1 1 A 22 22 ALA HA H 52 4.160 4.113 0.047 1
1 221 . 16 1 1 A 22 22 ALA C C 52 176.800 180.177 -3.377 1
1 222 . 16 1 1 A 22 22 ALA CA C 52 52.800 55.248 -2.448 1
1 223 . 16 1 1 A 22 22 ALA CB C 52 15.700 18.373 -2.673 1
1 224 . 16 1 1 A 22 22 ALA N N 52 122.200 122.114 0.086 1
1 225 . 16 1 1 A 23 23 ILE H H 53 8.100 8.069 0.031 1
1 226 . 16 1 1 A 23 23 ILE HA H 53 3.660 3.710 -0.050 1
1 236 . 16 1 1 A 23 23 ILE C C 53 175.300 178.346 -3.046 1
1 237 . 16 1 1 A 23 23 ILE CA C 53 62.700 65.352 -2.652 1
1 238 . 16 1 1 A 23 23 ILE CB C 53 35.100 38.108 -3.008 1
1 242 . 16 1 1 A 23 23 ILE N N 53 117.500 118.698 -1.198 1
1 243 . 16 1 1 A 24 24 LEU H H 54 8.160 7.904 0.256 1
1 244 . 16 1 1 A 24 24 LEU HA H 54 3.970 3.921 0.049 1
1 254 . 16 1 1 A 24 24 LEU C C 54 176.600 178.819 -2.219 1
1 255 . 16 1 1 A 24 24 LEU CA C 54 55.500 58.327 -2.827 1
1 256 . 16 1 1 A 24 24 LEU CB C 54 38.700 41.752 -3.052 1
1 260 . 16 1 1 A 24 24 LEU N N 54 118.900 118.882 0.018 1
1 261 . 16 1 1 A 25 25 PHE H H 55 8.200 8.730 -0.530 1
1 262 . 16 1 1 A 25 25 PHE HA H 55 4.240 4.094 0.146 1
1 267 . 16 1 1 A 25 25 PHE C C 55 176.300 177.823 -1.523 1
1 268 . 16 1 1 A 25 25 PHE CA C 55 58.500 61.534 -3.034 1
1 269 . 16 1 1 A 25 25 PHE CB C 55 36.300 38.888 -2.588 1
1 273 . 16 1 1 A 25 25 PHE N N 55 119.100 118.574 0.526 1
1 274 . 16 1 1 A 26 26 GLY H H 56 8.570 8.858 -0.288 1
1 275 . 16 1 1 A 26 26 GLY HA2 H 56 3.580 3.764 -0.184 1
1 276 . 16 1 1 A 26 26 GLY HA3 H 56 3.670 3.792 -0.122 1
1 277 . 16 1 1 A 26 26 GLY C C 56 172.200 175.873 -3.673 1
1 278 . 16 1 1 A 26 26 GLY CA C 56 44.900 47.172 -2.272 1
1 279 . 16 1 1 A 26 26 GLY N N 56 108.900 106.546 2.354 1
1 280 . 16 1 1 A 27 27 VAL H H 57 8.550 8.293 0.257 1
1 281 . 16 1 1 A 27 27 VAL HA H 57 3.640 3.703 -0.063 1
1 289 . 16 1 1 A 27 27 VAL C C 57 175.000 177.675 -2.675 1
1 290 . 16 1 1 A 27 27 VAL CA C 57 63.800 65.984 -2.184 1
1 291 . 16 1 1 A 27 27 VAL CB C 57 29.000 31.658 -2.658 1
1 294 . 16 1 1 A 27 27 VAL N N 57 120.000 122.243 -2.243 1
1 295 . 16 1 1 A 28 28 ARG H H 58 8.030 8.117 -0.087 1
1 296 . 16 1 1 A 28 28 ARG HA H 58 4.020 4.028 -0.008 1
1 301 . 16 1 1 A 28 28 ARG C C 58 176.700 178.530 -1.830 1
1 302 . 16 1 1 A 28 28 ARG CA C 58 56.700 58.445 -1.745 1
1 303 . 16 1 1 A 28 28 ARG CB C 58 27.600 30.237 -2.637 1
1 306 . 16 1 1 A 28 28 ARG N N 58 118.300 120.726 -2.426 1
1 307 . 16 1 1 A 29 29 SER H H 59 8.020 8.060 -0.040 1
1 308 . 16 1 1 A 29 29 SER HA H 59 4.280 4.070 0.210 1
1 310 . 16 1 1 A 29 29 SER C C 59 173.300 176.829 -3.529 1
1 311 . 16 1 1 A 29 29 SER CA C 59 58.200 62.550 -4.350 1
1 312 . 16 1 1 A 29 29 SER CB C 59 60.700 62.421 -1.721 1
1 313 . 16 1 1 A 29 29 SER N N 59 114.700 117.070 -2.370 1
1 314 . 16 1 1 A 30 30 GLY H H 60 8.310 8.574 -0.264 1
1 315 . 16 1 1 A 30 30 GLY HA2 H 60 3.630 3.834 -0.204 1
1 316 . 16 1 1 A 30 30 GLY HA3 H 60 3.750 3.858 -0.108 1
1 317 . 16 1 1 A 30 30 GLY C C 60 171.900 175.972 -4.072 1
1 318 . 16 1 1 A 30 30 GLY CA C 60 44.500 47.340 -2.840 1
1 319 . 16 1 1 A 30 30 GLY N N 60 109.700 110.232 -0.532 1
1 320 . 16 1 1 A 31 31 ALA H H 61 8.330 7.952 0.378 1
1 321 . 16 1 1 A 31 31 ALA HA H 61 3.970 4.061 -0.091 1
1 325 . 16 1 1 A 31 31 ALA C C 61 177.200 179.626 -2.426 1
1 326 . 16 1 1 A 31 31 ALA CA C 61 52.900 54.723 -1.823 1
1 327 . 16 1 1 A 31 31 ALA CB C 61 15.500 18.601 -3.101 1
1 328 . 16 1 1 A 31 31 ALA N N 61 122.700 124.559 -1.859 1
1 329 . 16 1 1 A 32 32 ALA H H 62 7.860 8.334 -0.474 1
1 330 . 16 1 1 A 32 32 ALA HA H 62 4.120 4.049 0.071 1
1 334 . 16 1 1 A 32 32 ALA C C 62 177.400 179.452 -2.052 1
1 335 . 16 1 1 A 32 32 ALA CA C 62 52.200 54.978 -2.778 1
1 336 . 16 1 1 A 32 32 ALA CB C 62 15.600 18.259 -2.659 1
1 337 . 16 1 1 A 32 32 ALA N N 62 120.400 120.102 0.298 1
1 338 . 16 1 1 A 33 33 ALA H H 63 7.920 8.482 -0.562 1
1 339 . 16 1 1 A 33 33 ALA HA H 63 4.070 4.033 0.037 1
1 343 . 16 1 1 A 33 33 ALA C C 63 176.200 179.607 -3.407 1
1 344 . 16 1 1 A 33 33 ALA CA C 63 52.100 55.153 -3.053 1
1 345 . 16 1 1 A 33 33 ALA CB C 63 15.800 18.595 -2.795 1
1 346 . 16 1 1 A 33 33 ALA N N 63 120.100 120.760 -0.660 1
1 347 . 16 1 1 A 34 34 LEU H H 64 8.090 8.040 0.050 1
1 348 . 16 1 1 A 34 34 LEU HA H 64 3.980 4.148 -0.168 1
1 358 . 16 1 1 A 34 34 LEU C C 64 175.900 178.786 -2.886 1
1 359 . 16 1 1 A 34 34 LEU CA C 64 55.500 57.650 -2.150 1
1 360 . 16 1 1 A 34 34 LEU CB C 64 39.100 41.756 -2.656 1
1 364 . 16 1 1 A 34 34 LEU N N 64 116.400 120.091 -3.691 1
1 365 . 16 1 1 A 35 35 THR H H 65 7.860 8.098 -0.238 1
1 366 . 16 1 1 A 35 35 THR HA H 65 3.770 4.001 -0.231 1
1 371 . 16 1 1 A 35 35 THR C C 65 173.100 176.893 -3.793 1
1 372 . 16 1 1 A 35 35 THR CA C 65 64.600 65.233 -0.633 1
1 373 . 16 1 1 A 35 35 THR CB C 65 66.000 68.733 -2.733 1
1 375 . 16 1 1 A 35 35 THR N N 65 113.500 114.254 -0.754 1
1 376 . 16 1 1 A 36 36 LEU H H 66 7.430 7.949 -0.519 1
1 377 . 16 1 1 A 36 36 LEU HA H 66 4.000 4.064 -0.064 1
1 387 . 16 1 1 A 36 36 LEU C C 66 176.800 179.141 -2.341 1
1 388 . 16 1 1 A 36 36 LEU CA C 66 55.500 58.086 -2.586 1
1 389 . 16 1 1 A 36 36 LEU CB C 66 39.200 41.513 -2.313 1
1 393 . 16 1 1 A 36 36 LEU N N 66 120.200 118.991 1.209 1
1 394 . 16 1 1 A 37 37 ILE H H 67 7.750 8.323 -0.573 1
1 395 . 16 1 1 A 37 37 ILE HA H 67 3.800 3.727 0.073 1
1 405 . 16 1 1 A 37 37 ILE C C 67 175.000 178.132 -3.132 1
1 406 . 16 1 1 A 37 37 ILE CA C 67 62.600 65.397 -2.797 1
1 407 . 16 1 1 A 37 37 ILE CB C 67 35.300 38.097 -2.797 1
1 411 . 16 1 1 A 37 37 ILE N N 67 119.600 120.061 -0.461 1
1 412 . 16 1 1 A 38 38 VAL H H 68 8.250 7.956 0.294 1
1 413 . 16 1 1 A 38 38 VAL HA H 68 3.590 3.877 -0.287 1
1 421 . 16 1 1 A 38 38 VAL C C 68 176.600 178.210 -1.610 1
1 422 . 16 1 1 A 38 38 VAL CA C 68 65.000 65.643 -0.643 1
1 423 . 16 1 1 A 38 38 VAL CB C 68 28.900 31.592 -2.692 1
1 426 . 16 1 1 A 38 38 VAL N N 68 119.600 116.611 2.989 1
1 427 . 16 1 1 A 39 39 VAL H H 69 8.370 8.048 0.322 1
1 428 . 16 1 1 A 39 39 VAL HA H 69 3.620 3.710 -0.090 1
1 436 . 16 1 1 A 39 39 VAL C C 69 175.800 177.855 -2.055 1
1 437 . 16 1 1 A 39 39 VAL CA C 69 64.200 66.565 -2.365 1
1 438 . 16 1 1 A 39 39 VAL CB C 69 28.900 31.697 -2.797 1
1 441 . 16 1 1 A 39 39 VAL N N 69 121.700 120.914 0.786 1
1 442 . 16 1 1 A 40 40 TRP H H 70 8.320 8.678 -0.358 1
1 443 . 16 1 1 A 40 40 TRP HA H 70 4.150 4.298 -0.148 1
1 449 . 16 1 1 A 40 40 TRP C C 70 176.600 178.278 -1.678 1
1 450 . 16 1 1 A 40 40 TRP CA C 70 59.700 60.875 -1.175 1
1 451 . 16 1 1 A 40 40 TRP CB C 70 26.400 29.421 -3.021 1
1 454 . 16 1 1 A 40 40 TRP N N 70 122.400 121.033 1.367 1
1 456 . 16 1 1 A 41 41 ILE H H 71 8.780 8.232 0.548 1
1 457 . 16 1 1 A 41 41 ILE HA H 71 3.510 3.435 0.075 1
1 467 . 16 1 1 A 41 41 ILE C C 71 175.600 178.924 -3.324 1
1 468 . 16 1 1 A 41 41 ILE CA C 71 62.500 64.331 -1.831 1
1 469 . 16 1 1 A 41 41 ILE CB C 71 35.700 37.877 -2.177 1
1 473 . 16 1 1 A 41 41 ILE N N 71 117.500 120.411 -2.911 1
1 474 . 16 1 1 A 42 42 THR H H 72 8.280 8.104 0.176 1
1 475 . 16 1 1 A 42 42 THR HA H 72 4.000 4.083 -0.083 1
1 480 . 16 1 1 A 42 42 THR C C 72 173.800 176.764 -2.964 1
1 481 . 16 1 1 A 42 42 THR CA C 72 62.500 65.378 -2.878 1
1 482 . 16 1 1 A 42 42 THR CB C 72 66.500 69.145 -2.645 1
1 484 . 16 1 1 A 42 42 THR N N 72 110.700 115.618 -4.918 1
1 485 . 16 1 1 A 43 43 SER H H 73 7.810 7.946 -0.136 1
1 486 . 16 1 1 A 43 43 SER HA H 73 4.320 4.355 -0.035 1
1 488 . 16 1 1 A 43 43 SER C C 73 172.800 174.104 -1.304 1
1 489 . 16 1 1 A 43 43 SER CA C 73 57.600 61.353 -3.753 1
1 490 . 16 1 1 A 43 43 SER CB C 73 60.900 63.671 -2.771 1
1 491 . 16 1 1 A 43 43 SER N N 73 115.900 115.894 0.006 1
1 492 . 16 1 1 A 44 44 ARG H H 74 7.490 7.859 -0.369 1
1 493 . 16 1 1 A 44 44 ARG HA H 74 4.120 3.880 0.240 1
1 500 . 16 1 1 A 44 44 ARG C C 74 174.200 176.256 -2.056 1
1 501 . 16 1 1 A 44 44 ARG CA C 74 53.600 56.727 -3.127 1
1 502 . 16 1 1 A 44 44 ARG CB C 74 27.700 28.461 -0.761 1
1 505 . 16 1 1 A 44 44 ARG N N 74 120.100 121.056 -0.956 1
1 506 . 16 1 1 A 45 45 SER H H 75 7.890 7.922 -0.032 1
1 507 . 16 1 1 A 45 45 SER HA H 75 4.210 4.462 -0.252 1
1 509 . 16 1 1 A 45 45 SER C C 75 172.300 175.521 -3.221 1
1 510 . 16 1 1 A 45 45 SER CA C 75 56.800 58.465 -1.665 1
1 511 . 16 1 1 A 45 45 SER CB C 75 60.900 63.758 -2.858 1
1 512 . 16 1 1 A 45 45 SER N N 75 114.400 118.134 -3.734 1
1 513 . 16 1 1 A 46 46 ARG H H 76 7.850 8.673 -0.823 1
1 514 . 16 1 1 A 46 46 ARG HA H 76 4.220 4.133 0.087 1
1 519 . 16 1 1 A 46 46 ARG C C 76 173.500 177.336 -3.836 1
1 520 . 16 1 1 A 46 46 ARG CA C 76 53.900 58.499 -4.599 1
1 521 . 16 1 1 A 46 46 ARG CB C 76 27.800 30.400 -2.600 1
1 524 . 16 1 1 A 46 46 ARG N N 76 120.600 124.556 -3.956 1
1 525 . 16 1 1 A 47 47 LYS H H 77 7.900 7.517 0.383 1
1 526 . 16 1 1 A 47 47 LYS HA H 77 4.320 4.497 -0.177 1
1 533 . 16 1 1 A 47 47 LYS C C 77 173.600 174.976 -1.376 1
1 534 . 16 1 1 A 47 47 LYS CA C 77 53.400 55.587 -2.187 1
1 535 . 16 1 1 A 47 47 LYS CB C 77 30.500 30.471 0.029 1
1 539 . 16 1 1 A 47 47 LYS N N 77 119.100 116.891 2.209 1
1 540 . 16 1 1 A 48 48 THR H H 78 7.840 7.538 0.302 1
1 541 . 16 1 1 A 48 48 THR HA H 78 4.390 4.973 -0.583 1
1 546 . 16 1 1 A 48 48 THR C C 78 174.000 172.932 1.068 1
1 547 . 16 1 1 A 48 48 THR CA C 78 59.500 59.144 0.356 1
1 548 . 16 1 1 A 48 48 THR CB C 78 66.600 69.974 -3.374 1
1 550 . 16 1 1 A 48 48 THR N N 78 116.200 112.116 4.084 1
1 551 . 16 1 1 A 49 49 PRO HA H 79 4.410 4.672 -0.262 1
1 557 . 16 1 1 A 49 49 PRO CA C 79 60.800 62.991 -2.191 1
1 558 . 16 1 1 A 49 49 PRO CB C 79 28.900 31.827 -2.927 1
1 561 . 16 1 1 A 50 50 ILE H H 80 7.850 8.517 -0.667 1
1 562 . 16 1 1 A 50 50 ILE HA H 80 3.880 3.696 0.184 1
1 572 . 16 1 1 A 50 50 ILE C C 80 173.500 177.594 -4.094 1
1 573 . 16 1 1 A 50 50 ILE CA C 80 59.800 64.076 -4.276 1
1 574 . 16 1 1 A 50 50 ILE CB C 80 35.600 37.833 -2.233 1
1 578 . 16 1 1 A 50 50 ILE N N 80 119.400 124.165 -4.765 1
1 579 . 16 1 1 A 51 51 PHE H H 81 7.730 8.412 -0.682 1
1 580 . 16 1 1 A 51 51 PHE HA H 81 4.500 4.121 0.379 1
1 585 . 16 1 1 A 51 51 PHE CA C 81 56.200 61.412 -5.212 1
1 586 . 16 1 1 A 51 51 PHE CB C 81 36.500 39.108 -2.608 1
1 590 . 16 1 1 A 51 51 PHE N N 81 118.900 123.698 -4.798 1
1 591 . 16 1 1 A 52 52 ILE H H 82 7.420 8.287 -0.867 1
1 592 . 16 1 1 A 52 52 ILE HA H 82 3.880 3.667 0.213 1
1 602 . 16 1 1 A 52 52 ILE C C 82 173.800 178.094 -4.294 1
1 603 . 16 1 1 A 52 52 ILE CA C 82 59.700 64.960 -5.260 1
1 604 . 16 1 1 A 52 52 ILE CB C 82 35.400 37.955 -2.555 1
1 608 . 16 1 1 A 52 52 ILE N N 82 118.000 120.368 -2.368 1
1 609 . 16 1 1 A 53 53 ILE H H 83 7.540 8.120 -0.580 1
1 610 . 16 1 1 A 53 53 ILE HA H 83 3.890 3.425 0.465 1
1 620 . 16 1 1 A 53 53 ILE C C 83 174.300 178.386 -4.086 1
1 621 . 16 1 1 A 53 53 ILE CA C 83 59.800 65.219 -5.419 1
1 622 . 16 1 1 A 53 53 ILE CB C 83 35.600 37.701 -2.101 1
1 626 . 16 1 1 A 53 53 ILE N N 83 119.300 120.372 -1.072 1
1 627 . 16 1 1 A 54 54 ASN H H 84 8.030 8.509 -0.479 1
1 628 . 16 1 1 A 54 54 ASN HA H 84 4.620 4.392 0.228 1
1 631 . 16 1 1 A 54 54 ASN CA C 84 51.500 56.368 -4.868 1
1 632 . 16 1 1 A 54 54 ASN CB C 84 36.500 37.666 -1.166 1
1 633 . 16 1 1 A 54 54 ASN N N 84 118.300 118.259 0.041 1
1 634 . 16 1 1 A 55 55 GLN H H 85 8.040 8.052 -0.012 1
1 635 . 16 1 1 A 55 55 GLN HA H 85 4.210 3.854 0.356 1
1 639 . 16 1 1 A 55 55 GLN CA C 85 54.400 59.068 -4.668 1
1 640 . 16 1 1 A 55 55 GLN CB C 85 25.600 28.229 -2.629 1
1 642 . 16 1 1 A 56 56 VAL H H 86 7.720 8.258 -0.538 1
1 643 . 16 1 1 A 56 56 VAL HA H 86 3.800 3.911 -0.111 1
1 651 . 16 1 1 A 56 56 VAL C C 86 174.200 177.945 -3.745 1
1 652 . 16 1 1 A 56 56 VAL CA C 86 62.700 65.151 -2.451 1
1 653 . 16 1 1 A 56 56 VAL CB C 86 29.100 31.666 -2.566 1
1 656 . 16 1 1 A 56 56 VAL N N 86 118.700 116.862 1.838 1
1 657 . 16 1 1 A 57 57 SER H H 87 8.080 8.208 -0.128 1
1 658 . 16 1 1 A 57 57 SER HA H 87 4.200 4.057 0.143 1
1 660 . 16 1 1 A 57 57 SER C C 87 173.800 177.257 -3.457 1
1 661 . 16 1 1 A 57 57 SER CA C 87 58.400 61.767 -3.367 1
1 662 . 16 1 1 A 57 57 SER CB C 87 60.000 63.089 -3.089 1
1 663 . 16 1 1 A 57 57 SER N N 87 115.300 117.134 -1.834 1
1 664 . 16 1 1 A 58 58 LEU H H 88 7.780 8.316 -0.536 1
1 665 . 16 1 1 A 58 58 LEU HA H 88 4.060 3.923 0.137 1
1 675 . 16 1 1 A 58 58 LEU CA C 88 55.300 57.837 -2.537 1
1 676 . 16 1 1 A 58 58 LEU CB C 88 39.200 42.043 -2.843 1
1 680 . 16 1 1 A 58 58 LEU N N 88 121.900 121.950 -0.050 1
1 681 . 16 1 1 A 59 59 PHE H H 89 7.980 8.493 -0.513 1
1 682 . 16 1 1 A 59 59 PHE HA H 89 4.190 4.118 0.072 1
1 687 . 16 1 1 A 59 59 PHE C C 89 174.600 176.892 -2.292 1
1 688 . 16 1 1 A 59 59 PHE CA C 89 58.300 61.309 -3.009 1
1 689 . 16 1 1 A 59 59 PHE CB C 89 35.900 38.901 -3.001 1
1 693 . 16 1 1 A 59 59 PHE N N 89 117.100 119.191 -2.091 1
1 694 . 16 1 1 A 60 60 LEU H H 90 8.010 8.968 -0.958 1
1 695 . 16 1 1 A 60 60 LEU HA H 90 3.870 3.811 0.059 1
1 705 . 16 1 1 A 60 60 LEU C C 90 176.800 179.353 -2.553 1
1 706 . 16 1 1 A 60 60 LEU CA C 90 55.400 58.439 -3.039 1
1 707 . 16 1 1 A 60 60 LEU CB C 90 38.900 42.153 -3.253 1
1 711 . 16 1 1 A 60 60 LEU N N 90 117.700 119.781 -2.081 1
1 712 . 16 1 1 A 61 61 ILE H H 91 7.910 8.015 -0.105 1
1 713 . 16 1 1 A 61 61 ILE HA H 91 3.790 3.507 0.283 1
1 723 . 16 1 1 A 61 61 ILE CA C 91 62.500 65.499 -2.999 1
1 724 . 16 1 1 A 61 61 ILE CB C 91 35.400 37.647 -2.247 1
1 728 . 16 1 1 A 61 61 ILE N N 91 118.400 117.964 0.436 1
1 729 . 16 1 1 A 62 62 ILE H H 92 7.930 8.471 -0.541 1
1 730 . 16 1 1 A 62 62 ILE HA H 92 3.620 3.501 0.119 1
1 740 . 16 1 1 A 62 62 ILE C C 92 175.000 177.926 -2.926 1
1 741 . 16 1 1 A 62 62 ILE CA C 92 62.800 65.565 -2.765 1
1 742 . 16 1 1 A 62 62 ILE CB C 92 34.600 37.752 -3.152 1
1 746 . 16 1 1 A 62 62 ILE N N 92 121.800 120.271 1.529 1
1 747 . 16 1 1 A 63 63 LEU H H 93 8.250 8.272 -0.022 1
1 748 . 16 1 1 A 63 63 LEU HA H 93 3.880 3.817 0.063 1
1 758 . 16 1 1 A 63 63 LEU C C 93 175.900 179.067 -3.167 1
1 759 . 16 1 1 A 63 63 LEU CA C 93 55.800 58.477 -2.677 1
1 760 . 16 1 1 A 63 63 LEU CB C 93 39.100 41.662 -2.562 1
1 764 . 16 1 1 A 63 63 LEU N N 93 119.800 121.539 -1.739 1
1 765 . 16 1 1 A 64 64 HIS H H 94 8.330 8.568 -0.238 1
1 766 . 16 1 1 A 64 64 HIS HA H 94 4.290 4.107 0.183 1
1 770 . 16 1 1 A 64 64 HIS C C 94 175.200 176.707 -1.507 1
1 771 . 16 1 1 A 64 64 HIS CA C 94 56.000 60.009 -4.009 1
1 772 . 16 1 1 A 64 64 HIS CB C 94 25.900 29.570 -3.670 1
1 775 . 16 1 1 A 64 64 HIS N N 94 114.700 118.913 -4.213 1
1 776 . 16 1 1 A 65 65 SER H H 95 8.150 8.574 -0.424 1
1 777 . 16 1 1 A 65 65 SER HA H 95 4.250 3.973 0.277 1
1 779 . 16 1 1 A 65 65 SER C C 95 172.500 177.320 -4.820 1
1 780 . 16 1 1 A 65 65 SER CA C 95 59.900 62.022 -2.122 1
1 781 . 16 1 1 A 65 65 SER CB C 95 60.500 62.890 -2.390 1
1 782 . 16 1 1 A 65 65 SER N N 95 116.200 114.064 2.136 1
1 783 . 16 1 1 A 66 66 ALA H H 96 8.220 8.520 -0.300 1
1 784 . 16 1 1 A 66 66 ALA HA H 96 4.080 4.195 -0.115 1
1 788 . 16 1 1 A 66 66 ALA C C 96 176.400 179.452 -3.052 1
1 789 . 16 1 1 A 66 66 ALA CA C 96 52.600 55.415 -2.815 1
1 790 . 16 1 1 A 66 66 ALA CB C 96 15.600 17.930 -2.330 1
1 791 . 16 1 1 A 66 66 ALA N N 96 123.500 125.109 -1.609 1
1 792 . 16 1 1 A 67 67 LEU H H 97 7.870 8.233 -0.363 1
1 793 . 16 1 1 A 67 67 LEU HA H 97 3.980 4.073 -0.093 1
1 803 . 16 1 1 A 67 67 LEU C C 97 176.700 177.965 -1.265 1
1 804 . 16 1 1 A 67 67 LEU CA C 97 55.000 57.995 -2.995 1
1 805 . 16 1 1 A 67 67 LEU CB C 97 38.700 41.681 -2.981 1
1 809 . 16 1 1 A 67 67 LEU N N 97 115.800 119.312 -3.512 1
1 810 . 16 1 1 A 68 68 TYR H H 98 7.830 8.890 -1.060 1
1 811 . 16 1 1 A 68 68 TYR HA H 98 4.320 4.272 0.048 1
1 816 . 16 1 1 A 68 68 TYR C C 98 174.900 177.424 -2.524 1
1 817 . 16 1 1 A 68 68 TYR CA C 98 58.200 61.981 -3.781 1
1 818 . 16 1 1 A 68 68 TYR CB C 98 35.500 38.689 -3.189 1
1 821 . 16 1 1 A 68 68 TYR N N 98 120.300 121.828 -1.528 1
1 822 . 16 1 1 A 69 69 PHE H H 99 8.110 8.389 -0.279 1
1 823 . 16 1 1 A 69 69 PHE HA H 99 4.200 4.179 0.021 1
1 828 . 16 1 1 A 69 69 PHE C C 99 173.600 176.929 -3.329 1
1 829 . 16 1 1 A 69 69 PHE CA C 99 58.400 61.464 -3.064 1
1 830 . 16 1 1 A 69 69 PHE CB C 99 36.100 39.265 -3.165 1
1 834 . 16 1 1 A 69 69 PHE N N 99 117.600 120.764 -3.164 1
1 835 . 16 1 1 A 70 70 LYS H H 100 8.030 8.244 -0.214 1
1 836 . 16 1 1 A 70 70 LYS HA H 100 3.800 3.714 0.086 1
1 843 . 16 1 1 A 70 70 LYS C C 100 175.700 177.698 -1.998 1
1 844 . 16 1 1 A 70 70 LYS CA C 100 57.300 59.447 -2.147 1
1 845 . 16 1 1 A 70 70 LYS CB C 100 29.500 32.127 -2.627 1
1 849 . 16 1 1 A 70 70 LYS N N 100 118.300 118.654 -0.354 1
1 850 . 16 1 1 A 71 71 TYR H H 101 7.720 8.310 -0.590 1
1 851 . 16 1 1 A 71 71 TYR HA H 101 4.210 4.059 0.151 1
1 856 . 16 1 1 A 71 71 TYR C C 101 175.300 177.256 -1.956 1
1 857 . 16 1 1 A 71 71 TYR CA C 101 57.800 61.435 -3.635 1
1 858 . 16 1 1 A 71 71 TYR CB C 101 34.700 38.873 -4.173 1
1 861 . 16 1 1 A 71 71 TYR N N 101 119.600 121.108 -1.508 1
1 862 . 16 1 1 A 72 72 LEU H H 102 7.950 8.217 -0.267 1
1 863 . 16 1 1 A 72 72 LEU HA H 102 3.800 3.603 0.197 1
1 870 . 16 1 1 A 72 72 LEU C C 102 176.300 179.310 -3.010 1
1 871 . 16 1 1 A 72 72 LEU CA C 102 55.100 57.814 -2.714 1
1 872 . 16 1 1 A 72 72 LEU CB C 102 39.500 41.591 -2.091 1
1 876 . 16 1 1 A 72 72 LEU N N 102 121.000 120.690 0.310 1
1 877 . 16 1 1 A 73 73 LEU H H 103 7.870 8.072 -0.202 1
1 878 . 16 1 1 A 73 73 LEU HA H 103 4.030 4.123 -0.093 1
1 888 . 16 1 1 A 73 73 LEU C C 103 176.200 179.035 -2.835 1
1 889 . 16 1 1 A 73 73 LEU CA C 103 54.500 58.012 -3.512 1
1 890 . 16 1 1 A 73 73 LEU CB C 103 39.200 40.975 -1.775 1
1 894 . 16 1 1 A 73 73 LEU N N 103 116.900 118.074 -1.174 1
1 895 . 16 1 1 A 74 74 SER H H 104 7.780 8.246 -0.466 1
1 896 . 16 1 1 A 74 74 SER HA H 104 4.230 4.224 0.006 1
1 898 . 16 1 1 A 74 74 SER C C 104 172.800 175.372 -2.572 1
1 899 . 16 1 1 A 74 74 SER CA C 104 57.900 61.627 -3.727 1
1 900 . 16 1 1 A 74 74 SER CB C 104 60.800 63.017 -2.217 1
1 901 . 16 1 1 A 74 74 SER N N 104 113.200 116.218 -3.018 1
1 902 . 16 1 1 A 75 75 ASN H H 105 7.720 7.312 0.408 1
1 903 . 16 1 1 A 75 75 ASN HA H 105 4.530 4.741 -0.211 1
1 906 . 16 1 1 A 75 75 ASN C C 105 173.100 177.166 -4.066 1
1 907 . 16 1 1 A 75 75 ASN CA C 105 51.800 54.559 -2.759 1
1 908 . 16 1 1 A 75 75 ASN CB C 105 36.600 39.078 -2.478 1
1 909 . 16 1 1 A 75 75 ASN N N 105 118.400 118.833 -0.433 1
1 910 . 16 1 1 A 76 76 TYR H H 106 7.720 7.253 0.467 1
1 911 . 16 1 1 A 76 76 TYR HA H 106 4.380 4.225 0.155 1
1 916 . 16 1 1 A 76 76 TYR C C 106 173.000 176.066 -3.066 1
1 917 . 16 1 1 A 76 76 TYR CA C 106 56.700 59.501 -2.801 1
1 918 . 16 1 1 A 76 76 TYR CB C 106 36.100 38.481 -2.381 1
1 921 . 16 1 1 A 76 76 TYR N N 106 118.900 117.843 1.057 1
1 922 . 16 1 1 A 77 77 SER H H 107 7.650 8.010 -0.360 1
1 923 . 16 1 1 A 77 77 SER HA H 107 4.330 4.855 -0.525 1
1 926 . 16 1 1 A 77 77 SER C C 107 171.800 173.330 -1.530 1
1 927 . 16 1 1 A 77 77 SER CA C 107 55.800 56.019 -0.219 1
1 928 . 16 1 1 A 77 77 SER CB C 107 61.400 66.331 -4.931 1
1 929 . 16 1 1 A 77 77 SER N N 107 114.300 111.903 2.397 1
1 930 . 16 1 1 A 78 78 SER H H 108 7.940 8.579 -0.639 1
1 931 . 16 1 1 A 78 78 SER HA H 108 4.440 3.998 0.442 1
1 933 . 16 1 1 A 78 78 SER C C 108 171.900 172.702 -0.802 1
1 934 . 16 1 1 A 78 78 SER CA C 108 55.800 59.883 -4.083 1
1 935 . 16 1 1 A 78 78 SER CB C 108 61.200 61.624 -0.424 1
1 936 . 16 1 1 A 78 78 SER N N 108 116.600 113.809 2.791 1
1 937 . 16 1 1 A 79 79 VAL H H 109 7.850 7.438 0.412 1
1 938 . 16 1 1 A 79 79 VAL HA H 109 4.170 4.605 -0.435 1
1 943 . 16 1 1 A 79 79 VAL C C 109 172.900 174.239 -1.339 1
1 944 . 16 1 1 A 79 79 VAL CA C 109 59.900 60.338 -0.438 1
1 945 . 16 1 1 A 79 79 VAL CB C 109 29.900 33.801 -3.901 1
1 948 . 16 1 1 A 79 79 VAL N N 109 120.200 115.079 5.121 1
1 3 . 17 1 1 A 2 2 ASN HA H 32 4.710 5.513 -0.803 1
1 6 . 17 1 1 A 2 2 ASN CA C 32 50.800 51.657 -0.857 1
1 7 . 17 1 1 A 2 2 ASN CB C 32 36.400 43.070 -6.670 1
1 8 . 17 1 1 A 3 3 GLY H H 33 8.470 8.634 -0.164 1
1 9 . 17 1 1 A 3 3 GLY HA2 H 33 3.890 4.079 -0.189 1
1 10 . 17 1 1 A 3 3 GLY HA3 H 33 3.990 4.081 -0.091 1
1 11 . 17 1 1 A 3 3 GLY C C 33 171.500 172.157 -0.657 1
1 12 . 17 1 1 A 3 3 GLY CA C 33 42.900 44.433 -1.533 1
1 13 . 17 1 1 A 3 3 GLY N N 33 109.300 109.833 -0.533 1
1 14 . 17 1 1 A 4 4 SER H H 34 8.020 8.473 -0.453 1
1 15 . 17 1 1 A 4 4 SER HA H 34 4.480 4.864 -0.384 1
1 17 . 17 1 1 A 4 4 SER C C 34 171.700 173.448 -1.748 1
1 18 . 17 1 1 A 4 4 SER CA C 34 55.600 57.050 -1.450 1
1 19 . 17 1 1 A 4 4 SER CB C 34 61.400 63.869 -2.469 1
1 20 . 17 1 1 A 4 4 SER N N 34 115.200 115.645 -0.445 1
1 21 . 17 1 1 A 5 5 THR H H 35 8.030 8.962 -0.932 1
1 22 . 17 1 1 A 5 5 THR HA H 35 4.300 4.635 -0.335 1
1 27 . 17 1 1 A 5 5 THR C C 35 171.400 173.929 -2.529 1
1 28 . 17 1 1 A 5 5 THR CA C 35 59.500 60.894 -1.394 1
1 29 . 17 1 1 A 5 5 THR CB C 35 67.200 69.738 -2.538 1
1 31 . 17 1 1 A 5 5 THR N N 35 115.600 122.513 -6.913 1
1 32 . 17 1 1 A 6 6 ILE H H 36 7.850 7.509 0.341 1
1 33 . 17 1 1 A 6 6 ILE HA H 36 4.260 4.267 -0.007 1
1 43 . 17 1 1 A 6 6 ILE C C 36 171.900 175.932 -4.032 1
1 44 . 17 1 1 A 6 6 ILE CA C 36 58.200 59.942 -1.742 1
1 45 . 17 1 1 A 6 6 ILE CB C 36 36.500 39.658 -3.158 1
1 49 . 17 1 1 A 6 6 ILE N N 36 122.000 122.800 -0.800 1
1 50 . 17 1 1 A 7 7 THR H H 37 7.680 8.088 -0.408 1
1 51 . 17 1 1 A 7 7 THR HA H 37 4.570 4.441 0.129 1
1 56 . 17 1 1 A 7 7 THR C C 37 172.800 176.164 -3.364 1
1 57 . 17 1 1 A 7 7 THR CA C 37 57.400 60.838 -3.438 1
1 58 . 17 1 1 A 7 7 THR CB C 37 68.700 70.453 -1.753 1
1 60 . 17 1 1 A 7 7 THR N N 37 114.700 118.371 -3.671 1
1 61 . 17 1 1 A 8 8 PHE H H 38 8.830 8.677 0.153 1
1 62 . 17 1 1 A 8 8 PHE HA H 38 4.250 4.319 -0.069 1
1 67 . 17 1 1 A 8 8 PHE C C 38 174.700 177.139 -2.439 1
1 68 . 17 1 1 A 8 8 PHE CA C 38 58.400 59.773 -1.373 1
1 69 . 17 1 1 A 8 8 PHE CB C 38 36.000 37.932 -1.932 1
1 73 . 17 1 1 A 8 8 PHE N N 38 120.900 121.664 -0.764 1
1 74 . 17 1 1 A 9 9 ASP H H 39 8.400 7.931 0.469 1
1 75 . 17 1 1 A 9 9 ASP HA H 39 4.280 4.403 -0.123 1
1 77 . 17 1 1 A 9 9 ASP C C 39 176.100 177.973 -1.873 1
1 78 . 17 1 1 A 9 9 ASP CA C 39 54.500 57.894 -3.394 1
1 79 . 17 1 1 A 9 9 ASP CB C 39 37.800 42.033 -4.233 1
1 80 . 17 1 1 A 9 9 ASP N N 39 117.400 120.509 -3.109 1
1 81 . 17 1 1 A 10 10 GLU H H 40 7.740 8.244 -0.504 1
1 82 . 17 1 1 A 10 10 GLU HA H 40 4.090 4.092 -0.002 1
1 86 . 17 1 1 A 10 10 GLU C C 40 176.100 179.157 -3.057 1
1 87 . 17 1 1 A 10 10 GLU CA C 40 55.700 59.133 -3.433 1
1 88 . 17 1 1 A 10 10 GLU CB C 40 26.800 29.430 -2.630 1
1 90 . 17 1 1 A 10 10 GLU N N 40 118.800 117.097 1.703 1
1 91 . 17 1 1 A 11 11 LEU H H 41 7.770 8.244 -0.474 1
1 92 . 17 1 1 A 11 11 LEU HA H 41 4.040 3.974 0.066 1
1 102 . 17 1 1 A 11 11 LEU C C 41 175.500 179.250 -3.750 1
1 103 . 17 1 1 A 11 11 LEU CA C 41 54.600 57.994 -3.394 1
1 104 . 17 1 1 A 11 11 LEU CB C 41 39.200 41.357 -2.157 1
1 108 . 17 1 1 A 11 11 LEU N N 41 119.500 120.802 -1.302 1
1 109 . 17 1 1 A 12 12 GLN H H 42 8.070 8.297 -0.227 1
1 110 . 17 1 1 A 12 12 GLN HA H 42 3.770 4.048 -0.278 1
1 114 . 17 1 1 A 12 12 GLN C C 42 175.400 179.305 -3.905 1
1 115 . 17 1 1 A 12 12 GLN CA C 42 56.500 58.904 -2.404 1
1 116 . 17 1 1 A 12 12 GLN CB C 42 25.800 28.527 -2.727 1
1 118 . 17 1 1 A 12 12 GLN N N 42 116.800 117.047 -0.247 1
1 119 . 17 1 1 A 13 13 GLY H H 43 7.810 8.402 -0.592 1
1 120 . 17 1 1 A 13 13 GLY HA2 H 43 3.850 3.698 0.152 1
1 121 . 17 1 1 A 13 13 GLY HA3 H 43 3.910 3.702 0.208 1
1 122 . 17 1 1 A 13 13 GLY C C 43 173.000 176.284 -3.284 1
1 123 . 17 1 1 A 13 13 GLY CA C 43 43.800 47.312 -3.512 1
1 124 . 17 1 1 A 13 13 GLY N N 43 105.400 108.895 -3.495 1
1 125 . 17 1 1 A 14 14 LEU H H 44 7.650 8.467 -0.817 1
1 126 . 17 1 1 A 14 14 LEU HA H 44 4.210 4.029 0.181 1
1 136 . 17 1 1 A 14 14 LEU C C 44 176.000 178.849 -2.849 1
1 137 . 17 1 1 A 14 14 LEU CA C 44 54.200 58.144 -3.944 1
1 138 . 17 1 1 A 14 14 LEU CB C 44 40.000 41.946 -1.946 1
1 142 . 17 1 1 A 14 14 LEU N N 44 120.900 123.170 -2.270 1
1 143 . 17 1 1 A 15 15 VAL H H 45 7.760 8.267 -0.507 1
1 144 . 17 1 1 A 15 15 VAL HA H 45 3.740 3.812 -0.072 1
1 152 . 17 1 1 A 15 15 VAL C C 45 173.100 177.379 -4.279 1
1 153 . 17 1 1 A 15 15 VAL CA C 45 61.800 64.954 -3.154 1
1 154 . 17 1 1 A 15 15 VAL CB C 45 29.100 31.429 -2.329 1
1 157 . 17 1 1 A 15 15 VAL N N 45 117.200 118.359 -1.159 1
1 158 . 17 1 1 A 16 16 ASN H H 46 7.820 8.178 -0.358 1
1 159 . 17 1 1 A 16 16 ASN HA H 46 4.600 4.556 0.044 1
1 161 . 17 1 1 A 16 16 ASN CA C 46 51.400 56.033 -4.633 1
1 162 . 17 1 1 A 16 16 ASN CB C 46 36.000 39.099 -3.099 1
1 163 . 17 1 1 A 16 16 ASN N N 46 118.400 120.558 -2.158 1
1 164 . 17 1 1 A 17 17 SER H H 47 8.160 7.630 0.530 1
1 165 . 17 1 1 A 17 17 SER HA H 47 4.380 4.730 -0.350 1
1 168 . 17 1 1 A 17 17 SER CA C 47 57.900 57.375 0.525 1
1 169 . 17 1 1 A 17 17 SER CB C 47 61.000 64.088 -3.088 1
1 170 . 17 1 1 A 18 18 THR H H 48 8.130 8.065 0.065 1
1 171 . 17 1 1 A 18 18 THR HA H 48 3.990 4.497 -0.507 1
1 176 . 17 1 1 A 18 18 THR C C 48 173.800 175.292 -1.492 1
1 177 . 17 1 1 A 18 18 THR CA C 48 63.500 64.019 -0.519 1
1 178 . 17 1 1 A 18 18 THR CB C 48 66.000 70.196 -4.196 1
1 180 . 17 1 1 A 18 18 THR N N 48 118.300 114.869 3.431 1
1 181 . 17 1 1 A 19 19 VAL H H 49 8.100 8.110 -0.010 1
1 182 . 17 1 1 A 19 19 VAL HA H 49 3.640 3.598 0.042 1
1 190 . 17 1 1 A 19 19 VAL C C 49 174.700 178.136 -3.436 1
1 191 . 17 1 1 A 19 19 VAL CA C 49 64.000 66.923 -2.923 1
1 192 . 17 1 1 A 19 19 VAL CB C 49 29.000 31.874 -2.874 1
1 195 . 17 1 1 A 19 19 VAL N N 49 120.800 121.209 -0.409 1
1 196 . 17 1 1 A 20 20 THR H H 50 7.830 8.366 -0.536 1
1 197 . 17 1 1 A 20 20 THR HA H 50 3.740 3.855 -0.115 1
1 202 . 17 1 1 A 20 20 THR C C 50 173.800 176.926 -3.126 1
1 203 . 17 1 1 A 20 20 THR CA C 50 64.400 65.735 -1.335 1
1 204 . 17 1 1 A 20 20 THR CB C 50 65.500 68.979 -3.479 1
1 206 . 17 1 1 A 20 20 THR N N 50 114.000 113.948 0.052 1
1 207 . 17 1 1 A 21 21 GLN H H 51 7.920 8.032 -0.112 1
1 208 . 17 1 1 A 21 21 GLN HA H 51 3.970 4.015 -0.045 1
1 211 . 17 1 1 A 21 21 GLN C C 51 175.900 177.847 -1.947 1
1 212 . 17 1 1 A 21 21 GLN CA C 51 56.300 58.472 -2.172 1
1 213 . 17 1 1 A 21 21 GLN CB C 51 25.700 28.684 -2.984 1
1 215 . 17 1 1 A 21 21 GLN N N 51 118.400 120.194 -1.794 1
1 216 . 17 1 1 A 22 22 ALA H H 52 7.960 7.949 0.011 1
1 217 . 17 1 1 A 22 22 ALA HA H 52 4.160 4.175 -0.015 1
1 221 . 17 1 1 A 22 22 ALA C C 52 176.800 180.138 -3.338 1
1 222 . 17 1 1 A 22 22 ALA CA C 52 52.800 55.264 -2.464 1
1 223 . 17 1 1 A 22 22 ALA CB C 52 15.700 18.151 -2.451 1
1 224 . 17 1 1 A 22 22 ALA N N 52 122.200 122.052 0.148 1
1 225 . 17 1 1 A 23 23 ILE H H 53 8.100 7.552 0.548 1
1 226 . 17 1 1 A 23 23 ILE HA H 53 3.660 3.688 -0.028 1
1 236 . 17 1 1 A 23 23 ILE C C 53 175.300 178.290 -2.990 1
1 237 . 17 1 1 A 23 23 ILE CA C 53 62.700 65.177 -2.477 1
1 238 . 17 1 1 A 23 23 ILE CB C 53 35.100 38.157 -3.057 1
1 242 . 17 1 1 A 23 23 ILE N N 53 117.500 118.950 -1.450 1
1 243 . 17 1 1 A 24 24 LEU H H 54 8.160 7.970 0.190 1
1 244 . 17 1 1 A 24 24 LEU HA H 54 3.970 3.898 0.072 1
1 254 . 17 1 1 A 24 24 LEU C C 54 176.600 179.000 -2.400 1
1 255 . 17 1 1 A 24 24 LEU CA C 54 55.500 58.257 -2.757 1
1 256 . 17 1 1 A 24 24 LEU CB C 54 38.700 41.511 -2.811 1
1 260 . 17 1 1 A 24 24 LEU N N 54 118.900 118.900 0.000 1
1 261 . 17 1 1 A 25 25 PHE H H 55 8.200 8.858 -0.658 1
1 262 . 17 1 1 A 25 25 PHE HA H 55 4.240 4.145 0.095 1
1 267 . 17 1 1 A 25 25 PHE C C 55 176.300 178.057 -1.757 1
1 268 . 17 1 1 A 25 25 PHE CA C 55 58.500 61.343 -2.843 1
1 269 . 17 1 1 A 25 25 PHE CB C 55 36.300 39.051 -2.751 1
1 273 . 17 1 1 A 25 25 PHE N N 55 119.100 118.557 0.543 1
1 274 . 17 1 1 A 26 26 GLY H H 56 8.570 8.970 -0.400 1
1 275 . 17 1 1 A 26 26 GLY HA2 H 56 3.580 3.839 -0.259 1
1 276 . 17 1 1 A 26 26 GLY HA3 H 56 3.670 3.915 -0.245 1
1 277 . 17 1 1 A 26 26 GLY C C 56 172.200 176.103 -3.903 1
1 278 . 17 1 1 A 26 26 GLY CA C 56 44.900 47.021 -2.121 1
1 279 . 17 1 1 A 26 26 GLY N N 56 108.900 106.891 2.009 1
1 280 . 17 1 1 A 27 27 VAL H H 57 8.550 8.121 0.429 1
1 281 . 17 1 1 A 27 27 VAL HA H 57 3.640 3.679 -0.039 1
1 289 . 17 1 1 A 27 27 VAL C C 57 175.000 177.844 -2.844 1
1 290 . 17 1 1 A 27 27 VAL CA C 57 63.800 66.030 -2.230 1
1 291 . 17 1 1 A 27 27 VAL CB C 57 29.000 31.609 -2.609 1
1 294 . 17 1 1 A 27 27 VAL N N 57 120.000 122.120 -2.120 1
1 295 . 17 1 1 A 28 28 ARG H H 58 8.030 8.004 0.026 1
1 296 . 17 1 1 A 28 28 ARG HA H 58 4.020 4.024 -0.004 1
1 301 . 17 1 1 A 28 28 ARG C C 58 176.700 178.606 -1.906 1
1 302 . 17 1 1 A 28 28 ARG CA C 58 56.700 58.508 -1.808 1
1 303 . 17 1 1 A 28 28 ARG CB C 58 27.600 30.154 -2.554 1
1 306 . 17 1 1 A 28 28 ARG N N 58 118.300 120.702 -2.402 1
1 307 . 17 1 1 A 29 29 SER H H 59 8.020 8.318 -0.298 1
1 308 . 17 1 1 A 29 29 SER HA H 59 4.280 3.903 0.377 1
1 310 . 17 1 1 A 29 29 SER C C 59 173.300 176.919 -3.619 1
1 311 . 17 1 1 A 29 29 SER CA C 59 58.200 62.314 -4.114 1
1 312 . 17 1 1 A 29 29 SER CB C 59 60.700 62.007 -1.307 1
1 313 . 17 1 1 A 29 29 SER N N 59 114.700 116.959 -2.259 1
1 314 . 17 1 1 A 30 30 GLY H H 60 8.310 8.491 -0.181 1
1 315 . 17 1 1 A 30 30 GLY HA2 H 60 3.630 3.844 -0.214 1
1 316 . 17 1 1 A 30 30 GLY HA3 H 60 3.750 3.881 -0.131 1
1 317 . 17 1 1 A 30 30 GLY C C 60 171.900 176.185 -4.285 1
1 318 . 17 1 1 A 30 30 GLY CA C 60 44.500 47.333 -2.833 1
1 319 . 17 1 1 A 30 30 GLY N N 60 109.700 110.396 -0.696 1
1 320 . 17 1 1 A 31 31 ALA H H 61 8.330 7.981 0.349 1
1 321 . 17 1 1 A 31 31 ALA HA H 61 3.970 4.060 -0.090 1
1 325 . 17 1 1 A 31 31 ALA C C 61 177.200 179.643 -2.443 1
1 326 . 17 1 1 A 31 31 ALA CA C 61 52.900 54.728 -1.828 1
1 327 . 17 1 1 A 31 31 ALA CB C 61 15.500 18.478 -2.978 1
1 328 . 17 1 1 A 31 31 ALA N N 61 122.700 124.619 -1.919 1
1 329 . 17 1 1 A 32 32 ALA H H 62 7.860 8.364 -0.504 1
1 330 . 17 1 1 A 32 32 ALA HA H 62 4.120 4.036 0.084 1
1 334 . 17 1 1 A 32 32 ALA C C 62 177.400 179.747 -2.347 1
1 335 . 17 1 1 A 32 32 ALA CA C 62 52.200 54.962 -2.762 1
1 336 . 17 1 1 A 32 32 ALA CB C 62 15.600 18.116 -2.516 1
1 337 . 17 1 1 A 32 32 ALA N N 62 120.400 120.129 0.271 1
1 338 . 17 1 1 A 33 33 ALA H H 63 7.920 8.253 -0.333 1
1 339 . 17 1 1 A 33 33 ALA HA H 63 4.070 4.038 0.032 1
1 343 . 17 1 1 A 33 33 ALA C C 63 176.200 179.511 -3.311 1
1 344 . 17 1 1 A 33 33 ALA CA C 63 52.100 55.069 -2.969 1
1 345 . 17 1 1 A 33 33 ALA CB C 63 15.800 18.507 -2.707 1
1 346 . 17 1 1 A 33 33 ALA N N 63 120.100 120.794 -0.694 1
1 347 . 17 1 1 A 34 34 LEU H H 64 8.090 8.211 -0.121 1
1 348 . 17 1 1 A 34 34 LEU HA H 64 3.980 4.130 -0.150 1
1 358 . 17 1 1 A 34 34 LEU C C 64 175.900 178.781 -2.881 1
1 359 . 17 1 1 A 34 34 LEU CA C 64 55.500 57.573 -2.073 1
1 360 . 17 1 1 A 34 34 LEU CB C 64 39.100 41.680 -2.580 1
1 364 . 17 1 1 A 34 34 LEU N N 64 116.400 120.055 -3.655 1
1 365 . 17 1 1 A 35 35 THR H H 65 7.860 8.158 -0.298 1
1 366 . 17 1 1 A 35 35 THR HA H 65 3.770 3.984 -0.214 1
1 371 . 17 1 1 A 35 35 THR C C 65 173.100 176.873 -3.773 1
1 372 . 17 1 1 A 35 35 THR CA C 65 64.600 65.149 -0.549 1
1 373 . 17 1 1 A 35 35 THR CB C 65 66.000 68.711 -2.711 1
1 375 . 17 1 1 A 35 35 THR N N 65 113.500 114.235 -0.735 1
1 376 . 17 1 1 A 36 36 LEU H H 66 7.430 8.108 -0.678 1
1 377 . 17 1 1 A 36 36 LEU HA H 66 4.000 4.085 -0.085 1
1 387 . 17 1 1 A 36 36 LEU C C 66 176.800 179.337 -2.537 1
1 388 . 17 1 1 A 36 36 LEU CA C 66 55.500 58.099 -2.599 1
1 389 . 17 1 1 A 36 36 LEU CB C 66 39.200 41.494 -2.294 1
1 393 . 17 1 1 A 36 36 LEU N N 66 120.200 118.961 1.239 1
1 394 . 17 1 1 A 37 37 ILE H H 67 7.750 8.104 -0.354 1
1 395 . 17 1 1 A 37 37 ILE HA H 67 3.800 3.727 0.073 1
1 405 . 17 1 1 A 37 37 ILE C C 67 175.000 178.395 -3.395 1
1 406 . 17 1 1 A 37 37 ILE CA C 67 62.600 65.180 -2.580 1
1 407 . 17 1 1 A 37 37 ILE CB C 67 35.300 37.913 -2.613 1
1 411 . 17 1 1 A 37 37 ILE N N 67 119.600 119.942 -0.342 1
1 412 . 17 1 1 A 38 38 VAL H H 68 8.250 8.211 0.039 1
1 413 . 17 1 1 A 38 38 VAL HA H 68 3.590 3.656 -0.066 1
1 421 . 17 1 1 A 38 38 VAL C C 68 176.600 178.083 -1.483 1
1 422 . 17 1 1 A 38 38 VAL CA C 68 65.000 65.347 -0.347 1
1 423 . 17 1 1 A 38 38 VAL CB C 68 28.900 31.600 -2.700 1
1 426 . 17 1 1 A 38 38 VAL N N 68 119.600 120.752 -1.152 1
1 427 . 17 1 1 A 39 39 VAL H H 69 8.370 8.635 -0.265 1
1 428 . 17 1 1 A 39 39 VAL HA H 69 3.620 3.752 -0.132 1
1 436 . 17 1 1 A 39 39 VAL C C 69 175.800 177.851 -2.051 1
1 437 . 17 1 1 A 39 39 VAL CA C 69 64.200 64.998 -0.798 1
1 438 . 17 1 1 A 39 39 VAL CB C 69 28.900 31.152 -2.252 1
1 441 . 17 1 1 A 39 39 VAL N N 69 121.700 120.250 1.450 1
1 442 . 17 1 1 A 40 40 TRP H H 70 8.320 8.236 0.084 1
1 443 . 17 1 1 A 40 40 TRP HA H 70 4.150 4.340 -0.190 1
1 449 . 17 1 1 A 40 40 TRP C C 70 176.600 178.315 -1.715 1
1 450 . 17 1 1 A 40 40 TRP CA C 70 59.700 61.151 -1.451 1
1 451 . 17 1 1 A 40 40 TRP CB C 70 26.400 29.653 -3.253 1
1 454 . 17 1 1 A 40 40 TRP N N 70 122.400 122.941 -0.541 1
1 456 . 17 1 1 A 41 41 ILE H H 71 8.780 8.111 0.669 1
1 457 . 17 1 1 A 41 41 ILE HA H 71 3.510 3.337 0.173 1
1 467 . 17 1 1 A 41 41 ILE C C 71 175.600 178.422 -2.822 1
1 468 . 17 1 1 A 41 41 ILE CA C 71 62.500 64.302 -1.802 1
1 469 . 17 1 1 A 41 41 ILE CB C 71 35.700 38.028 -2.328 1
1 473 . 17 1 1 A 41 41 ILE N N 71 117.500 120.821 -3.321 1
1 474 . 17 1 1 A 42 42 THR H H 72 8.280 7.691 0.589 1
1 475 . 17 1 1 A 42 42 THR HA H 72 4.000 4.187 -0.187 1
1 480 . 17 1 1 A 42 42 THR C C 72 173.800 176.178 -2.378 1
1 481 . 17 1 1 A 42 42 THR CA C 72 62.500 65.343 -2.843 1
1 482 . 17 1 1 A 42 42 THR CB C 72 66.500 69.728 -3.228 1
1 484 . 17 1 1 A 42 42 THR N N 72 110.700 116.064 -5.364 1
1 485 . 17 1 1 A 43 43 SER H H 73 7.810 7.993 -0.183 1
1 486 . 17 1 1 A 43 43 SER HA H 73 4.320 4.250 0.070 1
1 488 . 17 1 1 A 43 43 SER C C 73 172.800 173.987 -1.187 1
1 489 . 17 1 1 A 43 43 SER CA C 73 57.600 60.718 -3.118 1
1 490 . 17 1 1 A 43 43 SER CB C 73 60.900 63.609 -2.709 1
1 491 . 17 1 1 A 43 43 SER N N 73 115.900 114.976 0.924 1
1 492 . 17 1 1 A 44 44 ARG H H 74 7.490 7.420 0.070 1
1 493 . 17 1 1 A 44 44 ARG HA H 74 4.120 3.982 0.138 1
1 500 . 17 1 1 A 44 44 ARG C C 74 174.200 175.988 -1.788 1
1 501 . 17 1 1 A 44 44 ARG CA C 74 53.600 56.766 -3.166 1
1 502 . 17 1 1 A 44 44 ARG CB C 74 27.700 27.763 -0.063 1
1 505 . 17 1 1 A 44 44 ARG N N 74 120.100 119.041 1.059 1
1 506 . 17 1 1 A 45 45 SER H H 75 7.890 7.998 -0.108 1
1 507 . 17 1 1 A 45 45 SER HA H 75 4.210 4.208 0.002 1
1 509 . 17 1 1 A 45 45 SER C C 75 172.300 174.387 -2.087 1
1 510 . 17 1 1 A 45 45 SER CA C 75 56.800 61.534 -4.734 1
1 511 . 17 1 1 A 45 45 SER CB C 75 60.900 63.423 -2.523 1
1 512 . 17 1 1 A 45 45 SER N N 75 114.400 113.377 1.023 1
1 513 . 17 1 1 A 46 46 ARG H H 76 7.850 7.687 0.163 1
1 514 . 17 1 1 A 46 46 ARG HA H 76 4.220 4.896 -0.676 1
1 519 . 17 1 1 A 46 46 ARG C C 76 173.500 175.391 -1.891 1
1 520 . 17 1 1 A 46 46 ARG CA C 76 53.900 54.423 -0.523 1
1 521 . 17 1 1 A 46 46 ARG CB C 76 27.800 34.483 -6.683 1
1 524 . 17 1 1 A 46 46 ARG N N 76 120.600 117.573 3.027 1
1 525 . 17 1 1 A 47 47 LYS H H 77 7.900 8.450 -0.550 1
1 526 . 17 1 1 A 47 47 LYS HA H 77 4.320 4.095 0.225 1
1 533 . 17 1 1 A 47 47 LYS C C 77 173.600 176.496 -2.896 1
1 534 . 17 1 1 A 47 47 LYS CA C 77 53.400 56.399 -2.999 1
1 535 . 17 1 1 A 47 47 LYS CB C 77 30.500 31.887 -1.387 1
1 539 . 17 1 1 A 47 47 LYS N N 77 119.100 121.982 -2.882 1
1 540 . 17 1 1 A 48 48 THR H H 78 7.840 7.903 -0.063 1
1 541 . 17 1 1 A 48 48 THR HA H 78 4.390 4.232 0.158 1
1 546 . 17 1 1 A 48 48 THR C C 78 174.000 173.005 0.995 1
1 547 . 17 1 1 A 48 48 THR CA C 78 59.500 59.273 0.227 1
1 548 . 17 1 1 A 48 48 THR CB C 78 66.600 69.049 -2.449 1
1 550 . 17 1 1 A 48 48 THR N N 78 116.200 120.009 -3.809 1
1 551 . 17 1 1 A 49 49 PRO HA H 79 4.410 4.653 -0.243 1
1 557 . 17 1 1 A 49 49 PRO CA C 79 60.800 63.065 -2.265 1
1 558 . 17 1 1 A 49 49 PRO CB C 79 28.900 32.054 -3.154 1
1 561 . 17 1 1 A 50 50 ILE H H 80 7.850 8.482 -0.632 1
1 562 . 17 1 1 A 50 50 ILE HA H 80 3.880 3.806 0.074 1
1 572 . 17 1 1 A 50 50 ILE C C 80 173.500 177.719 -4.219 1
1 573 . 17 1 1 A 50 50 ILE CA C 80 59.800 64.466 -4.666 1
1 574 . 17 1 1 A 50 50 ILE CB C 80 35.600 37.697 -2.097 1
1 578 . 17 1 1 A 50 50 ILE N N 80 119.400 123.662 -4.262 1
1 579 . 17 1 1 A 51 51 PHE H H 81 7.730 8.561 -0.831 1
1 580 . 17 1 1 A 51 51 PHE HA H 81 4.500 4.139 0.361 1
1 585 . 17 1 1 A 51 51 PHE CA C 81 56.200 61.583 -5.383 1
1 586 . 17 1 1 A 51 51 PHE CB C 81 36.500 39.237 -2.737 1
1 590 . 17 1 1 A 51 51 PHE N N 81 118.900 122.962 -4.062 1
1 591 . 17 1 1 A 52 52 ILE H H 82 7.420 8.053 -0.633 1
1 592 . 17 1 1 A 52 52 ILE HA H 82 3.880 3.648 0.232 1
1 602 . 17 1 1 A 52 52 ILE C C 82 173.800 177.879 -4.079 1
1 603 . 17 1 1 A 52 52 ILE CA C 82 59.700 64.788 -5.088 1
1 604 . 17 1 1 A 52 52 ILE CB C 82 35.400 37.997 -2.597 1
1 608 . 17 1 1 A 52 52 ILE N N 82 118.000 120.073 -2.073 1
1 609 . 17 1 1 A 53 53 ILE H H 83 7.540 7.982 -0.442 1
1 610 . 17 1 1 A 53 53 ILE HA H 83 3.890 3.552 0.338 1
1 620 . 17 1 1 A 53 53 ILE C C 83 174.300 178.308 -4.008 1
1 621 . 17 1 1 A 53 53 ILE CA C 83 59.800 65.301 -5.501 1
1 622 . 17 1 1 A 53 53 ILE CB C 83 35.600 37.609 -2.009 1
1 626 . 17 1 1 A 53 53 ILE N N 83 119.300 119.700 -0.400 1
1 627 . 17 1 1 A 54 54 ASN H H 84 8.030 8.752 -0.722 1
1 628 . 17 1 1 A 54 54 ASN HA H 84 4.620 4.387 0.233 1
1 631 . 17 1 1 A 54 54 ASN CA C 84 51.500 56.461 -4.961 1
1 632 . 17 1 1 A 54 54 ASN CB C 84 36.500 38.001 -1.501 1
1 633 . 17 1 1 A 54 54 ASN N N 84 118.300 118.826 -0.526 1
1 634 . 17 1 1 A 55 55 GLN H H 85 8.040 7.992 0.048 1
1 635 . 17 1 1 A 55 55 GLN HA H 85 4.210 3.943 0.267 1
1 639 . 17 1 1 A 55 55 GLN CA C 85 54.400 58.945 -4.545 1
1 640 . 17 1 1 A 55 55 GLN CB C 85 25.600 28.492 -2.892 1
1 642 . 17 1 1 A 56 56 VAL H H 86 7.720 8.536 -0.816 1
1 643 . 17 1 1 A 56 56 VAL HA H 86 3.800 3.556 0.244 1
1 651 . 17 1 1 A 56 56 VAL C C 86 174.200 177.906 -3.706 1
1 652 . 17 1 1 A 56 56 VAL CA C 86 62.700 67.054 -4.354 1
1 653 . 17 1 1 A 56 56 VAL CB C 86 29.100 31.552 -2.452 1
1 656 . 17 1 1 A 56 56 VAL N N 86 118.700 120.765 -2.065 1
1 657 . 17 1 1 A 57 57 SER H H 87 8.080 8.556 -0.476 1
1 658 . 17 1 1 A 57 57 SER HA H 87 4.200 4.102 0.098 1
1 660 . 17 1 1 A 57 57 SER C C 87 173.800 176.307 -2.507 1
1 661 . 17 1 1 A 57 57 SER CA C 87 58.400 62.183 -3.783 1
1 662 . 17 1 1 A 57 57 SER CB C 87 60.000 63.001 -3.001 1
1 663 . 17 1 1 A 57 57 SER N N 87 115.300 114.916 0.384 1
1 664 . 17 1 1 A 58 58 LEU H H 88 7.780 8.309 -0.529 1
1 665 . 17 1 1 A 58 58 LEU HA H 88 4.060 3.918 0.142 1
1 675 . 17 1 1 A 58 58 LEU CA C 88 55.300 57.832 -2.532 1
1 676 . 17 1 1 A 58 58 LEU CB C 88 39.200 41.989 -2.789 1
1 680 . 17 1 1 A 58 58 LEU N N 88 121.900 121.552 0.348 1
1 681 . 17 1 1 A 59 59 PHE H H 89 7.980 8.683 -0.703 1
1 682 . 17 1 1 A 59 59 PHE HA H 89 4.190 4.089 0.101 1
1 687 . 17 1 1 A 59 59 PHE C C 89 174.600 177.065 -2.465 1
1 688 . 17 1 1 A 59 59 PHE CA C 89 58.300 61.350 -3.050 1
1 689 . 17 1 1 A 59 59 PHE CB C 89 35.900 38.981 -3.081 1
1 693 . 17 1 1 A 59 59 PHE N N 89 117.100 119.026 -1.926 1
1 694 . 17 1 1 A 60 60 LEU H H 90 8.010 8.778 -0.768 1
1 695 . 17 1 1 A 60 60 LEU HA H 90 3.870 3.840 0.030 1
1 705 . 17 1 1 A 60 60 LEU C C 90 176.800 179.289 -2.489 1
1 706 . 17 1 1 A 60 60 LEU CA C 90 55.400 58.411 -3.011 1
1 707 . 17 1 1 A 60 60 LEU CB C 90 38.900 42.027 -3.127 1
1 711 . 17 1 1 A 60 60 LEU N N 90 117.700 119.717 -2.017 1
1 712 . 17 1 1 A 61 61 ILE H H 91 7.910 7.898 0.012 1
1 713 . 17 1 1 A 61 61 ILE HA H 91 3.790 3.507 0.283 1
1 723 . 17 1 1 A 61 61 ILE CA C 91 62.500 65.443 -2.943 1
1 724 . 17 1 1 A 61 61 ILE CB C 91 35.400 37.708 -2.308 1
1 728 . 17 1 1 A 61 61 ILE N N 91 118.400 118.583 -0.183 1
1 729 . 17 1 1 A 62 62 ILE H H 92 7.930 8.226 -0.296 1
1 730 . 17 1 1 A 62 62 ILE HA H 92 3.620 3.399 0.221 1
1 740 . 17 1 1 A 62 62 ILE C C 92 175.000 177.818 -2.818 1
1 741 . 17 1 1 A 62 62 ILE CA C 92 62.800 65.410 -2.610 1
1 742 . 17 1 1 A 62 62 ILE CB C 92 34.600 37.630 -3.030 1
1 746 . 17 1 1 A 62 62 ILE N N 92 121.800 120.083 1.717 1
1 747 . 17 1 1 A 63 63 LEU H H 93 8.250 8.439 -0.189 1
1 748 . 17 1 1 A 63 63 LEU HA H 93 3.880 3.712 0.168 1
1 758 . 17 1 1 A 63 63 LEU C C 93 175.900 178.940 -3.040 1
1 759 . 17 1 1 A 63 63 LEU CA C 93 55.800 58.373 -2.573 1
1 760 . 17 1 1 A 63 63 LEU CB C 93 39.100 41.578 -2.478 1
1 764 . 17 1 1 A 63 63 LEU N N 93 119.800 121.304 -1.504 1
1 765 . 17 1 1 A 64 64 HIS H H 94 8.330 8.411 -0.081 1
1 766 . 17 1 1 A 64 64 HIS HA H 94 4.290 4.167 0.123 1
1 770 . 17 1 1 A 64 64 HIS C C 94 175.200 177.273 -2.073 1
1 771 . 17 1 1 A 64 64 HIS CA C 94 56.000 59.741 -3.741 1
1 772 . 17 1 1 A 64 64 HIS CB C 94 25.900 29.638 -3.738 1
1 775 . 17 1 1 A 64 64 HIS N N 94 114.700 118.852 -4.152 1
1 776 . 17 1 1 A 65 65 SER H H 95 8.150 8.275 -0.125 1
1 777 . 17 1 1 A 65 65 SER HA H 95 4.250 3.954 0.296 1
1 779 . 17 1 1 A 65 65 SER C C 95 172.500 176.453 -3.953 1
1 780 . 17 1 1 A 65 65 SER CA C 95 59.900 61.895 -1.995 1
1 781 . 17 1 1 A 65 65 SER CB C 95 60.500 62.475 -1.975 1
1 782 . 17 1 1 A 65 65 SER N N 95 116.200 115.302 0.898 1
1 783 . 17 1 1 A 66 66 ALA H H 96 8.220 8.340 -0.120 1
1 784 . 17 1 1 A 66 66 ALA HA H 96 4.080 4.086 -0.006 1
1 788 . 17 1 1 A 66 66 ALA C C 96 176.400 180.034 -3.634 1
1 789 . 17 1 1 A 66 66 ALA CA C 96 52.600 55.052 -2.452 1
1 790 . 17 1 1 A 66 66 ALA CB C 96 15.600 17.898 -2.298 1
1 791 . 17 1 1 A 66 66 ALA N N 96 123.500 123.539 -0.039 1
1 792 . 17 1 1 A 67 67 LEU H H 97 7.870 8.496 -0.626 1
1 793 . 17 1 1 A 67 67 LEU HA H 97 3.980 3.958 0.022 1
1 803 . 17 1 1 A 67 67 LEU C C 97 176.700 178.934 -2.234 1
1 804 . 17 1 1 A 67 67 LEU CA C 97 55.000 57.988 -2.988 1
1 805 . 17 1 1 A 67 67 LEU CB C 97 38.700 42.151 -3.451 1
1 809 . 17 1 1 A 67 67 LEU N N 97 115.800 118.895 -3.095 1
1 810 . 17 1 1 A 68 68 TYR H H 98 7.830 8.606 -0.776 1
1 811 . 17 1 1 A 68 68 TYR HA H 98 4.320 4.212 0.108 1
1 816 . 17 1 1 A 68 68 TYR C C 98 174.900 177.841 -2.941 1
1 817 . 17 1 1 A 68 68 TYR CA C 98 58.200 61.974 -3.774 1
1 818 . 17 1 1 A 68 68 TYR CB C 98 35.500 38.633 -3.133 1
1 821 . 17 1 1 A 68 68 TYR N N 98 120.300 119.413 0.887 1
1 822 . 17 1 1 A 69 69 PHE H H 99 8.110 8.728 -0.618 1
1 823 . 17 1 1 A 69 69 PHE HA H 99 4.200 4.275 -0.075 1
1 828 . 17 1 1 A 69 69 PHE C C 99 173.600 178.392 -4.792 1
1 829 . 17 1 1 A 69 69 PHE CA C 99 58.400 61.471 -3.071 1
1 830 . 17 1 1 A 69 69 PHE CB C 99 36.100 38.901 -2.801 1
1 834 . 17 1 1 A 69 69 PHE N N 99 117.600 118.663 -1.063 1
1 835 . 17 1 1 A 70 70 LYS H H 100 8.030 8.406 -0.376 1
1 836 . 17 1 1 A 70 70 LYS HA H 100 3.800 4.092 -0.292 1
1 843 . 17 1 1 A 70 70 LYS C C 100 175.700 178.443 -2.743 1
1 844 . 17 1 1 A 70 70 LYS CA C 100 57.300 59.537 -2.237 1
1 845 . 17 1 1 A 70 70 LYS CB C 100 29.500 31.854 -2.354 1
1 849 . 17 1 1 A 70 70 LYS N N 100 118.300 118.009 0.291 1
1 850 . 17 1 1 A 71 71 TYR H H 101 7.720 8.590 -0.870 1
1 851 . 17 1 1 A 71 71 TYR HA H 101 4.210 4.057 0.153 1
1 856 . 17 1 1 A 71 71 TYR C C 101 175.300 177.916 -2.616 1
1 857 . 17 1 1 A 71 71 TYR CA C 101 57.800 61.318 -3.518 1
1 858 . 17 1 1 A 71 71 TYR CB C 101 34.700 38.757 -4.057 1
1 861 . 17 1 1 A 71 71 TYR N N 101 119.600 121.229 -1.629 1
1 862 . 17 1 1 A 72 72 LEU H H 102 7.950 7.596 0.354 1
1 863 . 17 1 1 A 72 72 LEU HA H 102 3.800 3.794 0.006 1
1 870 . 17 1 1 A 72 72 LEU C C 102 176.300 178.542 -2.242 1
1 871 . 17 1 1 A 72 72 LEU CA C 102 55.100 57.328 -2.228 1
1 872 . 17 1 1 A 72 72 LEU CB C 102 39.500 41.605 -2.105 1
1 876 . 17 1 1 A 72 72 LEU N N 102 121.000 119.978 1.022 1
1 877 . 17 1 1 A 73 73 LEU H H 103 7.870 8.234 -0.364 1
1 878 . 17 1 1 A 73 73 LEU HA H 103 4.030 3.937 0.093 1
1 888 . 17 1 1 A 73 73 LEU C C 103 176.200 178.523 -2.323 1
1 889 . 17 1 1 A 73 73 LEU CA C 103 54.500 58.062 -3.562 1
1 890 . 17 1 1 A 73 73 LEU CB C 103 39.200 41.348 -2.148 1
1 894 . 17 1 1 A 73 73 LEU N N 103 116.900 122.104 -5.204 1
1 895 . 17 1 1 A 74 74 SER H H 104 7.780 8.422 -0.642 1
1 896 . 17 1 1 A 74 74 SER HA H 104 4.230 4.283 -0.053 1
1 898 . 17 1 1 A 74 74 SER C C 104 172.800 175.759 -2.959 1
1 899 . 17 1 1 A 74 74 SER CA C 104 57.900 61.761 -3.861 1
1 900 . 17 1 1 A 74 74 SER CB C 104 60.800 63.089 -2.289 1
1 901 . 17 1 1 A 74 74 SER N N 104 113.200 116.089 -2.889 1
1 902 . 17 1 1 A 75 75 ASN H H 105 7.720 7.740 -0.020 1
1 903 . 17 1 1 A 75 75 ASN HA H 105 4.530 4.584 -0.054 1
1 906 . 17 1 1 A 75 75 ASN C C 105 173.100 177.547 -4.447 1
1 907 . 17 1 1 A 75 75 ASN CA C 105 51.800 55.755 -3.955 1
1 908 . 17 1 1 A 75 75 ASN CB C 105 36.600 38.413 -1.813 1
1 909 . 17 1 1 A 75 75 ASN N N 105 118.400 119.493 -1.093 1
1 910 . 17 1 1 A 76 76 TYR H H 106 7.720 7.869 -0.149 1
1 911 . 17 1 1 A 76 76 TYR HA H 106 4.380 4.392 -0.012 1
1 916 . 17 1 1 A 76 76 TYR C C 106 173.000 176.665 -3.665 1
1 917 . 17 1 1 A 76 76 TYR CA C 106 56.700 59.994 -3.294 1
1 918 . 17 1 1 A 76 76 TYR CB C 106 36.100 38.524 -2.424 1
1 921 . 17 1 1 A 76 76 TYR N N 106 118.900 118.594 0.306 1
1 922 . 17 1 1 A 77 77 SER H H 107 7.650 7.953 -0.303 1
1 923 . 17 1 1 A 77 77 SER HA H 107 4.330 4.625 -0.295 1
1 926 . 17 1 1 A 77 77 SER C C 107 171.800 173.385 -1.585 1
1 927 . 17 1 1 A 77 77 SER CA C 107 55.800 57.901 -2.101 1
1 928 . 17 1 1 A 77 77 SER CB C 107 61.400 61.475 -0.075 1
1 929 . 17 1 1 A 77 77 SER N N 107 114.300 115.443 -1.143 1
1 930 . 17 1 1 A 78 78 SER H H 108 7.940 8.310 -0.370 1
1 931 . 17 1 1 A 78 78 SER HA H 108 4.440 4.654 -0.214 1
1 933 . 17 1 1 A 78 78 SER C C 108 171.900 174.259 -2.359 1
1 934 . 17 1 1 A 78 78 SER CA C 108 55.800 59.417 -3.617 1
1 935 . 17 1 1 A 78 78 SER CB C 108 61.200 63.553 -2.353 1
1 936 . 17 1 1 A 78 78 SER N N 108 116.600 122.063 -5.463 1
1 937 . 17 1 1 A 79 79 VAL H H 109 7.850 8.802 -0.952 1
1 938 . 17 1 1 A 79 79 VAL HA H 109 4.170 4.514 -0.344 1
1 943 . 17 1 1 A 79 79 VAL C C 109 172.900 175.184 -2.284 1
1 944 . 17 1 1 A 79 79 VAL CA C 109 59.900 61.803 -1.903 1
1 945 . 17 1 1 A 79 79 VAL CB C 109 29.900 33.701 -3.801 1
1 948 . 17 1 1 A 79 79 VAL N N 109 120.200 126.988 -6.788 1
1 3 . 18 1 1 A 2 2 ASN HA H 32 4.710 5.376 -0.666 1
1 6 . 18 1 1 A 2 2 ASN CA C 32 50.800 51.027 -0.227 1
1 7 . 18 1 1 A 2 2 ASN CB C 32 36.400 42.868 -6.468 1
1 8 . 18 1 1 A 3 3 GLY H H 33 8.470 8.503 -0.033 1
1 9 . 18 1 1 A 3 3 GLY HA2 H 33 3.890 4.075 -0.185 1
1 10 . 18 1 1 A 3 3 GLY HA3 H 33 3.990 4.076 -0.086 1
1 11 . 18 1 1 A 3 3 GLY C C 33 171.500 172.933 -1.433 1
1 12 . 18 1 1 A 3 3 GLY CA C 33 42.900 45.114 -2.214 1
1 13 . 18 1 1 A 3 3 GLY N N 33 109.300 108.462 0.838 1
1 14 . 18 1 1 A 4 4 SER H H 34 8.020 8.710 -0.690 1
1 15 . 18 1 1 A 4 4 SER HA H 34 4.480 4.659 -0.179 1
1 17 . 18 1 1 A 4 4 SER C C 34 171.700 173.139 -1.439 1
1 18 . 18 1 1 A 4 4 SER CA C 34 55.600 57.476 -1.876 1
1 19 . 18 1 1 A 4 4 SER CB C 34 61.400 61.530 -0.130 1
1 20 . 18 1 1 A 4 4 SER N N 34 115.200 116.043 -0.843 1
1 21 . 18 1 1 A 5 5 THR H H 35 8.030 8.601 -0.571 1
1 22 . 18 1 1 A 5 5 THR HA H 35 4.300 4.614 -0.314 1
1 27 . 18 1 1 A 5 5 THR C C 35 171.400 173.495 -2.095 1
1 28 . 18 1 1 A 5 5 THR CA C 35 59.500 60.985 -1.485 1
1 29 . 18 1 1 A 5 5 THR CB C 35 67.200 69.809 -2.609 1
1 31 . 18 1 1 A 5 5 THR N N 35 115.600 120.835 -5.235 1
1 32 . 18 1 1 A 6 6 ILE H H 36 7.850 7.513 0.337 1
1 33 . 18 1 1 A 6 6 ILE HA H 36 4.260 4.262 -0.002 1
1 43 . 18 1 1 A 6 6 ILE C C 36 171.900 175.976 -4.076 1
1 44 . 18 1 1 A 6 6 ILE CA C 36 58.200 60.005 -1.805 1
1 45 . 18 1 1 A 6 6 ILE CB C 36 36.500 39.637 -3.137 1
1 49 . 18 1 1 A 6 6 ILE N N 36 122.000 122.983 -0.983 1
1 50 . 18 1 1 A 7 7 THR H H 37 7.680 8.028 -0.348 1
1 51 . 18 1 1 A 7 7 THR HA H 37 4.570 4.373 0.197 1
1 56 . 18 1 1 A 7 7 THR C C 37 172.800 176.114 -3.314 1
1 57 . 18 1 1 A 7 7 THR CA C 37 57.400 60.899 -3.499 1
1 58 . 18 1 1 A 7 7 THR CB C 37 68.700 70.218 -1.518 1
1 60 . 18 1 1 A 7 7 THR N N 37 114.700 118.423 -3.723 1
1 61 . 18 1 1 A 8 8 PHE H H 38 8.830 8.605 0.225 1
1 62 . 18 1 1 A 8 8 PHE HA H 38 4.250 4.354 -0.104 1
1 67 . 18 1 1 A 8 8 PHE C C 38 174.700 176.961 -2.261 1
1 68 . 18 1 1 A 8 8 PHE CA C 38 58.400 59.821 -1.421 1
1 69 . 18 1 1 A 8 8 PHE CB C 38 36.000 37.923 -1.923 1
1 73 . 18 1 1 A 8 8 PHE N N 38 120.900 122.027 -1.127 1
1 74 . 18 1 1 A 9 9 ASP H H 39 8.400 7.839 0.561 1
1 75 . 18 1 1 A 9 9 ASP HA H 39 4.280 4.225 0.055 1
1 77 . 18 1 1 A 9 9 ASP C C 39 176.100 178.460 -2.360 1
1 78 . 18 1 1 A 9 9 ASP CA C 39 54.500 57.218 -2.718 1
1 79 . 18 1 1 A 9 9 ASP CB C 39 37.800 40.072 -2.272 1
1 80 . 18 1 1 A 9 9 ASP N N 39 117.400 122.435 -5.035 1
1 81 . 18 1 1 A 10 10 GLU H H 40 7.740 8.260 -0.520 1
1 82 . 18 1 1 A 10 10 GLU HA H 40 4.090 4.089 0.001 1
1 86 . 18 1 1 A 10 10 GLU C C 40 176.100 179.213 -3.113 1
1 87 . 18 1 1 A 10 10 GLU CA C 40 55.700 59.080 -3.380 1
1 88 . 18 1 1 A 10 10 GLU CB C 40 26.800 29.410 -2.610 1
1 90 . 18 1 1 A 10 10 GLU N N 40 118.800 117.535 1.265 1
1 91 . 18 1 1 A 11 11 LEU H H 41 7.770 8.108 -0.338 1
1 92 . 18 1 1 A 11 11 LEU HA H 41 4.040 3.986 0.054 1
1 102 . 18 1 1 A 11 11 LEU C C 41 175.500 179.195 -3.695 1
1 103 . 18 1 1 A 11 11 LEU CA C 41 54.600 58.046 -3.446 1
1 104 . 18 1 1 A 11 11 LEU CB C 41 39.200 41.142 -1.942 1
1 108 . 18 1 1 A 11 11 LEU N N 41 119.500 121.473 -1.973 1
1 109 . 18 1 1 A 12 12 GLN H H 42 8.070 8.212 -0.142 1
1 110 . 18 1 1 A 12 12 GLN HA H 42 3.770 4.048 -0.278 1
1 114 . 18 1 1 A 12 12 GLN C C 42 175.400 179.332 -3.932 1
1 115 . 18 1 1 A 12 12 GLN CA C 42 56.500 58.909 -2.409 1
1 116 . 18 1 1 A 12 12 GLN CB C 42 25.800 28.563 -2.763 1
1 118 . 18 1 1 A 12 12 GLN N N 42 116.800 116.815 -0.015 1
1 119 . 18 1 1 A 13 13 GLY H H 43 7.810 8.275 -0.465 1
1 120 . 18 1 1 A 13 13 GLY HA2 H 43 3.850 3.661 0.189 1
1 121 . 18 1 1 A 13 13 GLY HA3 H 43 3.910 3.664 0.246 1
1 122 . 18 1 1 A 13 13 GLY C C 43 173.000 176.262 -3.262 1
1 123 . 18 1 1 A 13 13 GLY CA C 43 43.800 47.199 -3.399 1
1 124 . 18 1 1 A 13 13 GLY N N 43 105.400 108.990 -3.590 1
1 125 . 18 1 1 A 14 14 LEU H H 44 7.650 8.468 -0.818 1
1 126 . 18 1 1 A 14 14 LEU HA H 44 4.210 4.016 0.194 1
1 136 . 18 1 1 A 14 14 LEU C C 44 176.000 179.144 -3.144 1
1 137 . 18 1 1 A 14 14 LEU CA C 44 54.200 58.066 -3.866 1
1 138 . 18 1 1 A 14 14 LEU CB C 44 40.000 41.932 -1.932 1
1 142 . 18 1 1 A 14 14 LEU N N 44 120.900 123.095 -2.195 1
1 143 . 18 1 1 A 15 15 VAL H H 45 7.760 7.922 -0.162 1
1 144 . 18 1 1 A 15 15 VAL HA H 45 3.740 3.868 -0.128 1
1 152 . 18 1 1 A 15 15 VAL C C 45 173.100 178.021 -4.921 1
1 153 . 18 1 1 A 15 15 VAL CA C 45 61.800 65.218 -3.418 1
1 154 . 18 1 1 A 15 15 VAL CB C 45 29.100 31.255 -2.155 1
1 157 . 18 1 1 A 15 15 VAL N N 45 117.200 113.935 3.265 1
1 158 . 18 1 1 A 16 16 ASN H H 46 7.820 8.128 -0.308 1
1 159 . 18 1 1 A 16 16 ASN HA H 46 4.600 4.560 0.040 1
1 161 . 18 1 1 A 16 16 ASN CA C 46 51.400 55.918 -4.518 1
1 162 . 18 1 1 A 16 16 ASN CB C 46 36.000 39.205 -3.205 1
1 163 . 18 1 1 A 16 16 ASN N N 46 118.400 120.250 -1.850 1
1 164 . 18 1 1 A 17 17 SER H H 47 8.160 7.822 0.338 1
1 165 . 18 1 1 A 17 17 SER HA H 47 4.380 4.759 -0.379 1
1 168 . 18 1 1 A 17 17 SER CA C 47 57.900 57.188 0.712 1
1 169 . 18 1 1 A 17 17 SER CB C 47 61.000 63.269 -2.269 1
1 170 . 18 1 1 A 18 18 THR H H 48 8.130 8.083 0.047 1
1 171 . 18 1 1 A 18 18 THR HA H 48 3.990 4.507 -0.517 1
1 176 . 18 1 1 A 18 18 THR C C 48 173.800 175.283 -1.483 1
1 177 . 18 1 1 A 18 18 THR CA C 48 63.500 64.013 -0.513 1
1 178 . 18 1 1 A 18 18 THR CB C 48 66.000 70.334 -4.334 1
1 180 . 18 1 1 A 18 18 THR N N 48 118.300 114.595 3.705 1
1 181 . 18 1 1 A 19 19 VAL H H 49 8.100 8.070 0.030 1
1 182 . 18 1 1 A 19 19 VAL HA H 49 3.640 3.609 0.031 1
1 190 . 18 1 1 A 19 19 VAL C C 49 174.700 178.054 -3.354 1
1 191 . 18 1 1 A 19 19 VAL CA C 49 64.000 66.755 -2.755 1
1 192 . 18 1 1 A 19 19 VAL CB C 49 29.000 31.625 -2.625 1
1 195 . 18 1 1 A 19 19 VAL N N 49 120.800 121.596 -0.796 1
1 196 . 18 1 1 A 20 20 THR H H 50 7.830 8.366 -0.536 1
1 197 . 18 1 1 A 20 20 THR HA H 50 3.740 3.856 -0.116 1
1 202 . 18 1 1 A 20 20 THR C C 50 173.800 176.920 -3.120 1
1 203 . 18 1 1 A 20 20 THR CA C 50 64.400 65.562 -1.162 1
1 204 . 18 1 1 A 20 20 THR CB C 50 65.500 68.990 -3.490 1
1 206 . 18 1 1 A 20 20 THR N N 50 114.000 113.943 0.057 1
1 207 . 18 1 1 A 21 21 GLN H H 51 7.920 7.987 -0.067 1
1 208 . 18 1 1 A 21 21 GLN HA H 51 3.970 4.088 -0.118 1
1 211 . 18 1 1 A 21 21 GLN C C 51 175.900 178.558 -2.658 1
1 212 . 18 1 1 A 21 21 GLN CA C 51 56.300 59.135 -2.835 1
1 213 . 18 1 1 A 21 21 GLN CB C 51 25.700 28.200 -2.500 1
1 215 . 18 1 1 A 21 21 GLN N N 51 118.400 120.023 -1.623 1
1 216 . 18 1 1 A 22 22 ALA H H 52 7.960 8.128 -0.168 1
1 217 . 18 1 1 A 22 22 ALA HA H 52 4.160 4.114 0.046 1
1 221 . 18 1 1 A 22 22 ALA C C 52 176.800 180.116 -3.316 1
1 222 . 18 1 1 A 22 22 ALA CA C 52 52.800 55.180 -2.380 1
1 223 . 18 1 1 A 22 22 ALA CB C 52 15.700 18.026 -2.326 1
1 224 . 18 1 1 A 22 22 ALA N N 52 122.200 122.712 -0.512 1
1 225 . 18 1 1 A 23 23 ILE H H 53 8.100 7.542 0.558 1
1 226 . 18 1 1 A 23 23 ILE HA H 53 3.660 3.754 -0.094 1
1 236 . 18 1 1 A 23 23 ILE C C 53 175.300 178.283 -2.983 1
1 237 . 18 1 1 A 23 23 ILE CA C 53 62.700 65.419 -2.719 1
1 238 . 18 1 1 A 23 23 ILE CB C 53 35.100 38.222 -3.122 1
1 242 . 18 1 1 A 23 23 ILE N N 53 117.500 119.187 -1.687 1
1 243 . 18 1 1 A 24 24 LEU H H 54 8.160 8.010 0.150 1
1 244 . 18 1 1 A 24 24 LEU HA H 54 3.970 3.898 0.072 1
1 254 . 18 1 1 A 24 24 LEU C C 54 176.600 178.983 -2.383 1
1 255 . 18 1 1 A 24 24 LEU CA C 54 55.500 58.216 -2.716 1
1 256 . 18 1 1 A 24 24 LEU CB C 54 38.700 42.097 -3.397 1
1 260 . 18 1 1 A 24 24 LEU N N 54 118.900 118.767 0.133 1
1 261 . 18 1 1 A 25 25 PHE H H 55 8.200 8.893 -0.693 1
1 262 . 18 1 1 A 25 25 PHE HA H 55 4.240 4.181 0.059 1
1 267 . 18 1 1 A 25 25 PHE C C 55 176.300 177.700 -1.400 1
1 268 . 18 1 1 A 25 25 PHE CA C 55 58.500 61.339 -2.839 1
1 269 . 18 1 1 A 25 25 PHE CB C 55 36.300 39.325 -3.025 1
1 273 . 18 1 1 A 25 25 PHE N N 55 119.100 118.679 0.421 1
1 274 . 18 1 1 A 26 26 GLY H H 56 8.570 8.992 -0.422 1
1 275 . 18 1 1 A 26 26 GLY HA2 H 56 3.580 3.907 -0.327 1
1 276 . 18 1 1 A 26 26 GLY HA3 H 56 3.670 3.927 -0.257 1
1 277 . 18 1 1 A 26 26 GLY C C 56 172.200 176.038 -3.838 1
1 278 . 18 1 1 A 26 26 GLY CA C 56 44.900 47.305 -2.405 1
1 279 . 18 1 1 A 26 26 GLY N N 56 108.900 106.933 1.967 1
1 280 . 18 1 1 A 27 27 VAL H H 57 8.550 8.367 0.183 1
1 281 . 18 1 1 A 27 27 VAL HA H 57 3.640 3.725 -0.085 1
1 289 . 18 1 1 A 27 27 VAL C C 57 175.000 177.780 -2.780 1
1 290 . 18 1 1 A 27 27 VAL CA C 57 63.800 66.053 -2.253 1
1 291 . 18 1 1 A 27 27 VAL CB C 57 29.000 31.587 -2.587 1
1 294 . 18 1 1 A 27 27 VAL N N 57 120.000 122.138 -2.138 1
1 295 . 18 1 1 A 28 28 ARG H H 58 8.030 8.278 -0.248 1
1 296 . 18 1 1 A 28 28 ARG HA H 58 4.020 3.965 0.055 1
1 301 . 18 1 1 A 28 28 ARG C C 58 176.700 179.212 -2.512 1
1 302 . 18 1 1 A 28 28 ARG CA C 58 56.700 59.807 -3.107 1
1 303 . 18 1 1 A 28 28 ARG CB C 58 27.600 29.903 -2.303 1
1 306 . 18 1 1 A 28 28 ARG N N 58 118.300 119.713 -1.413 1
1 307 . 18 1 1 A 29 29 SER H H 59 8.020 8.163 -0.143 1
1 308 . 18 1 1 A 29 29 SER HA H 59 4.280 3.936 0.344 1
1 310 . 18 1 1 A 29 29 SER C C 59 173.300 176.557 -3.257 1
1 311 . 18 1 1 A 29 29 SER CA C 59 58.200 62.529 -4.329 1
1 312 . 18 1 1 A 29 29 SER CB C 59 60.700 62.176 -1.476 1
1 313 . 18 1 1 A 29 29 SER N N 59 114.700 116.564 -1.864 1
1 314 . 18 1 1 A 30 30 GLY H H 60 8.310 8.030 0.280 1
1 315 . 18 1 1 A 30 30 GLY HA2 H 60 3.630 2.420 1.210 1
1 316 . 18 1 1 A 30 30 GLY HA3 H 60 3.750 3.471 0.279 1
1 317 . 18 1 1 A 30 30 GLY C C 60 171.900 175.555 -3.655 1
1 318 . 18 1 1 A 30 30 GLY CA C 60 44.500 46.767 -2.267 1
1 319 . 18 1 1 A 30 30 GLY N N 60 109.700 108.631 1.069 1
1 320 . 18 1 1 A 31 31 ALA H H 61 8.330 7.977 0.353 1
1 321 . 18 1 1 A 31 31 ALA HA H 61 3.970 3.999 -0.029 1
1 325 . 18 1 1 A 31 31 ALA C C 61 177.200 179.419 -2.219 1
1 326 . 18 1 1 A 31 31 ALA CA C 61 52.900 54.575 -1.675 1
1 327 . 18 1 1 A 31 31 ALA CB C 61 15.500 18.241 -2.741 1
1 328 . 18 1 1 A 31 31 ALA N N 61 122.700 124.382 -1.682 1
1 329 . 18 1 1 A 32 32 ALA H H 62 7.860 8.267 -0.407 1
1 330 . 18 1 1 A 32 32 ALA HA H 62 4.120 3.976 0.144 1
1 334 . 18 1 1 A 32 32 ALA C C 62 177.400 179.391 -1.991 1
1 335 . 18 1 1 A 32 32 ALA CA C 62 52.200 54.974 -2.774 1
1 336 . 18 1 1 A 32 32 ALA CB C 62 15.600 18.081 -2.481 1
1 337 . 18 1 1 A 32 32 ALA N N 62 120.400 119.820 0.580 1
1 338 . 18 1 1 A 33 33 ALA H H 63 7.920 8.055 -0.135 1
1 339 . 18 1 1 A 33 33 ALA HA H 63 4.070 4.057 0.013 1
1 343 . 18 1 1 A 33 33 ALA C C 63 176.200 179.911 -3.711 1
1 344 . 18 1 1 A 33 33 ALA CA C 63 52.100 54.866 -2.766 1
1 345 . 18 1 1 A 33 33 ALA CB C 63 15.800 17.952 -2.152 1
1 346 . 18 1 1 A 33 33 ALA N N 63 120.100 120.682 -0.582 1
1 347 . 18 1 1 A 34 34 LEU H H 64 8.090 8.170 -0.080 1
1 348 . 18 1 1 A 34 34 LEU HA H 64 3.980 4.139 -0.159 1
1 358 . 18 1 1 A 34 34 LEU C C 64 175.900 178.613 -2.713 1
1 359 . 18 1 1 A 34 34 LEU CA C 64 55.500 57.850 -2.350 1
1 360 . 18 1 1 A 34 34 LEU CB C 64 39.100 41.864 -2.764 1
1 364 . 18 1 1 A 34 34 LEU N N 64 116.400 119.921 -3.521 1
1 365 . 18 1 1 A 35 35 THR H H 65 7.860 8.183 -0.323 1
1 366 . 18 1 1 A 35 35 THR HA H 65 3.770 3.981 -0.211 1
1 371 . 18 1 1 A 35 35 THR C C 65 173.100 176.802 -3.702 1
1 372 . 18 1 1 A 35 35 THR CA C 65 64.600 65.348 -0.748 1
1 373 . 18 1 1 A 35 35 THR CB C 65 66.000 68.672 -2.672 1
1 375 . 18 1 1 A 35 35 THR N N 65 113.500 114.228 -0.728 1
1 376 . 18 1 1 A 36 36 LEU H H 66 7.430 8.022 -0.592 1
1 377 . 18 1 1 A 36 36 LEU HA H 66 4.000 4.199 -0.199 1
1 387 . 18 1 1 A 36 36 LEU C C 66 176.800 178.403 -1.603 1
1 388 . 18 1 1 A 36 36 LEU CA C 66 55.500 58.249 -2.749 1
1 389 . 18 1 1 A 36 36 LEU CB C 66 39.200 41.518 -2.318 1
1 393 . 18 1 1 A 36 36 LEU N N 66 120.200 121.775 -1.575 1
1 394 . 18 1 1 A 37 37 ILE H H 67 7.750 8.120 -0.370 1
1 395 . 18 1 1 A 37 37 ILE HA H 67 3.800 3.623 0.177 1
1 405 . 18 1 1 A 37 37 ILE C C 67 175.000 178.394 -3.394 1
1 406 . 18 1 1 A 37 37 ILE CA C 67 62.600 65.186 -2.586 1
1 407 . 18 1 1 A 37 37 ILE CB C 67 35.300 37.830 -2.530 1
1 411 . 18 1 1 A 37 37 ILE N N 67 119.600 119.216 0.384 1
1 412 . 18 1 1 A 38 38 VAL H H 68 8.250 8.180 0.070 1
1 413 . 18 1 1 A 38 38 VAL HA H 68 3.590 3.706 -0.116 1
1 421 . 18 1 1 A 38 38 VAL C C 68 176.600 178.225 -1.625 1
1 422 . 18 1 1 A 38 38 VAL CA C 68 65.000 65.514 -0.514 1
1 423 . 18 1 1 A 38 38 VAL CB C 68 28.900 31.630 -2.730 1
1 426 . 18 1 1 A 38 38 VAL N N 68 119.600 120.665 -1.065 1
1 427 . 18 1 1 A 39 39 VAL H H 69 8.370 8.546 -0.176 1
1 428 . 18 1 1 A 39 39 VAL HA H 69 3.620 3.733 -0.113 1
1 436 . 18 1 1 A 39 39 VAL C C 69 175.800 177.841 -2.041 1
1 437 . 18 1 1 A 39 39 VAL CA C 69 64.200 65.040 -0.840 1
1 438 . 18 1 1 A 39 39 VAL CB C 69 28.900 31.294 -2.394 1
1 441 . 18 1 1 A 39 39 VAL N N 69 121.700 120.286 1.414 1
1 442 . 18 1 1 A 40 40 TRP H H 70 8.320 8.457 -0.137 1
1 443 . 18 1 1 A 40 40 TRP HA H 70 4.150 4.295 -0.145 1
1 449 . 18 1 1 A 40 40 TRP C C 70 176.600 178.350 -1.750 1
1 450 . 18 1 1 A 40 40 TRP CA C 70 59.700 61.376 -1.676 1
1 451 . 18 1 1 A 40 40 TRP CB C 70 26.400 29.646 -3.246 1
1 454 . 18 1 1 A 40 40 TRP N N 70 122.400 123.184 -0.784 1
1 456 . 18 1 1 A 41 41 ILE H H 71 8.780 8.229 0.551 1
1 457 . 18 1 1 A 41 41 ILE HA H 71 3.510 3.717 -0.207 1
1 467 . 18 1 1 A 41 41 ILE C C 71 175.600 178.163 -2.563 1
1 468 . 18 1 1 A 41 41 ILE CA C 71 62.500 64.875 -2.375 1
1 469 . 18 1 1 A 41 41 ILE CB C 71 35.700 37.976 -2.276 1
1 473 . 18 1 1 A 41 41 ILE N N 71 117.500 121.457 -3.957 1
1 474 . 18 1 1 A 42 42 THR H H 72 8.280 8.342 -0.062 1
1 475 . 18 1 1 A 42 42 THR HA H 72 4.000 3.809 0.191 1
1 480 . 18 1 1 A 42 42 THR C C 72 173.800 176.857 -3.057 1
1 481 . 18 1 1 A 42 42 THR CA C 72 62.500 65.800 -3.300 1
1 482 . 18 1 1 A 42 42 THR CB C 72 66.500 68.995 -2.495 1
1 484 . 18 1 1 A 42 42 THR N N 72 110.700 115.121 -4.421 1
1 485 . 18 1 1 A 43 43 SER H H 73 7.810 7.928 -0.118 1
1 486 . 18 1 1 A 43 43 SER HA H 73 4.320 4.366 -0.046 1
1 488 . 18 1 1 A 43 43 SER C C 73 172.800 173.987 -1.187 1
1 489 . 18 1 1 A 43 43 SER CA C 73 57.600 59.266 -1.666 1
1 490 . 18 1 1 A 43 43 SER CB C 73 60.900 63.605 -2.705 1
1 491 . 18 1 1 A 43 43 SER N N 73 115.900 115.136 0.764 1
1 492 . 18 1 1 A 44 44 ARG H H 74 7.490 7.795 -0.305 1
1 493 . 18 1 1 A 44 44 ARG HA H 74 4.120 3.724 0.396 1
1 500 . 18 1 1 A 44 44 ARG C C 74 174.200 175.660 -1.460 1
1 501 . 18 1 1 A 44 44 ARG CA C 74 53.600 56.585 -2.985 1
1 502 . 18 1 1 A 44 44 ARG CB C 74 27.700 28.500 -0.800 1
1 505 . 18 1 1 A 44 44 ARG N N 74 120.100 120.757 -0.657 1
1 506 . 18 1 1 A 45 45 SER H H 75 7.890 7.054 0.836 1
1 507 . 18 1 1 A 45 45 SER HA H 75 4.210 4.085 0.125 1
1 509 . 18 1 1 A 45 45 SER C C 75 172.300 175.520 -3.220 1
1 510 . 18 1 1 A 45 45 SER CA C 75 56.800 58.473 -1.673 1
1 511 . 18 1 1 A 45 45 SER CB C 75 60.900 63.791 -2.891 1
1 512 . 18 1 1 A 45 45 SER N N 75 114.400 115.134 -0.734 1
1 513 . 18 1 1 A 46 46 ARG H H 76 7.850 8.589 -0.739 1
1 514 . 18 1 1 A 46 46 ARG HA H 76 4.220 4.001 0.219 1
1 519 . 18 1 1 A 46 46 ARG C C 76 173.500 176.790 -3.290 1
1 520 . 18 1 1 A 46 46 ARG CA C 76 53.900 59.251 -5.351 1
1 521 . 18 1 1 A 46 46 ARG CB C 76 27.800 30.483 -2.683 1
1 524 . 18 1 1 A 46 46 ARG N N 76 120.600 125.132 -4.532 1
1 525 . 18 1 1 A 47 47 LYS H H 77 7.900 7.744 0.156 1
1 526 . 18 1 1 A 47 47 LYS HA H 77 4.320 5.086 -0.766 1
1 533 . 18 1 1 A 47 47 LYS C C 77 173.600 174.365 -0.765 1
1 534 . 18 1 1 A 47 47 LYS CA C 77 53.400 55.142 -1.742 1
1 535 . 18 1 1 A 47 47 LYS CB C 77 30.500 37.477 -6.977 1
1 539 . 18 1 1 A 47 47 LYS N N 77 119.100 116.938 2.162 1
1 540 . 18 1 1 A 48 48 THR H H 78 7.840 8.921 -1.081 1
1 541 . 18 1 1 A 48 48 THR HA H 78 4.390 5.124 -0.734 1
1 546 . 18 1 1 A 48 48 THR C C 78 174.000 171.952 2.048 1
1 547 . 18 1 1 A 48 48 THR CA C 78 59.500 58.136 1.364 1
1 548 . 18 1 1 A 48 48 THR CB C 78 66.600 72.471 -5.871 1
1 550 . 18 1 1 A 48 48 THR N N 78 116.200 116.645 -0.445 1
1 551 . 18 1 1 A 49 49 PRO HA H 79 4.410 4.614 -0.204 1
1 557 . 18 1 1 A 49 49 PRO CA C 79 60.800 62.822 -2.022 1
1 558 . 18 1 1 A 49 49 PRO CB C 79 28.900 32.648 -3.748 1
1 561 . 18 1 1 A 50 50 ILE H H 80 7.850 8.605 -0.755 1
1 562 . 18 1 1 A 50 50 ILE HA H 80 3.880 3.795 0.085 1
1 572 . 18 1 1 A 50 50 ILE C C 80 173.500 177.639 -4.139 1
1 573 . 18 1 1 A 50 50 ILE CA C 80 59.800 64.357 -4.557 1
1 574 . 18 1 1 A 50 50 ILE CB C 80 35.600 37.727 -2.127 1
1 578 . 18 1 1 A 50 50 ILE N N 80 119.400 123.288 -3.888 1
1 579 . 18 1 1 A 51 51 PHE H H 81 7.730 8.644 -0.914 1
1 580 . 18 1 1 A 51 51 PHE HA H 81 4.500 4.121 0.379 1
1 585 . 18 1 1 A 51 51 PHE CA C 81 56.200 61.529 -5.329 1
1 586 . 18 1 1 A 51 51 PHE CB C 81 36.500 39.086 -2.586 1
1 590 . 18 1 1 A 51 51 PHE N N 81 118.900 123.521 -4.621 1
1 591 . 18 1 1 A 52 52 ILE H H 82 7.420 8.142 -0.722 1
1 592 . 18 1 1 A 52 52 ILE HA H 82 3.880 3.607 0.273 1
1 602 . 18 1 1 A 52 52 ILE C C 82 173.800 178.214 -4.414 1
1 603 . 18 1 1 A 52 52 ILE CA C 82 59.700 65.113 -5.413 1
1 604 . 18 1 1 A 52 52 ILE CB C 82 35.400 38.073 -2.673 1
1 608 . 18 1 1 A 52 52 ILE N N 82 118.000 120.184 -2.184 1
1 609 . 18 1 1 A 53 53 ILE H H 83 7.540 7.944 -0.404 1
1 610 . 18 1 1 A 53 53 ILE HA H 83 3.890 3.530 0.360 1
1 620 . 18 1 1 A 53 53 ILE C C 83 174.300 178.023 -3.723 1
1 621 . 18 1 1 A 53 53 ILE CA C 83 59.800 64.916 -5.116 1
1 622 . 18 1 1 A 53 53 ILE CB C 83 35.600 37.136 -1.536 1
1 626 . 18 1 1 A 53 53 ILE N N 83 119.300 119.716 -0.416 1
1 627 . 18 1 1 A 54 54 ASN H H 84 8.030 8.585 -0.555 1
1 628 . 18 1 1 A 54 54 ASN HA H 84 4.620 4.324 0.296 1
1 631 . 18 1 1 A 54 54 ASN CA C 84 51.500 56.116 -4.616 1
1 632 . 18 1 1 A 54 54 ASN CB C 84 36.500 39.105 -2.605 1
1 633 . 18 1 1 A 54 54 ASN N N 84 118.300 120.199 -1.899 1
1 634 . 18 1 1 A 55 55 GLN H H 85 8.040 8.008 0.032 1
1 635 . 18 1 1 A 55 55 GLN HA H 85 4.210 4.026 0.184 1
1 639 . 18 1 1 A 55 55 GLN CA C 85 54.400 58.163 -3.763 1
1 640 . 18 1 1 A 55 55 GLN CB C 85 25.600 28.758 -3.158 1
1 642 . 18 1 1 A 56 56 VAL H H 86 7.720 8.237 -0.517 1
1 643 . 18 1 1 A 56 56 VAL HA H 86 3.800 3.595 0.205 1
1 651 . 18 1 1 A 56 56 VAL C C 86 174.200 177.743 -3.543 1
1 652 . 18 1 1 A 56 56 VAL CA C 86 62.700 67.031 -4.331 1
1 653 . 18 1 1 A 56 56 VAL CB C 86 29.100 31.429 -2.329 1
1 656 . 18 1 1 A 56 56 VAL N N 86 118.700 121.289 -2.589 1
1 657 . 18 1 1 A 57 57 SER H H 87 8.080 8.215 -0.135 1
1 658 . 18 1 1 A 57 57 SER HA H 87 4.200 4.098 0.102 1
1 660 . 18 1 1 A 57 57 SER C C 87 173.800 177.089 -3.289 1
1 661 . 18 1 1 A 57 57 SER CA C 87 58.400 61.661 -3.261 1
1 662 . 18 1 1 A 57 57 SER CB C 87 60.000 63.130 -3.130 1
1 663 . 18 1 1 A 57 57 SER N N 87 115.300 115.115 0.185 1
1 664 . 18 1 1 A 58 58 LEU H H 88 7.780 8.243 -0.463 1
1 665 . 18 1 1 A 58 58 LEU HA H 88 4.060 3.929 0.131 1
1 675 . 18 1 1 A 58 58 LEU CA C 88 55.300 57.935 -2.635 1
1 676 . 18 1 1 A 58 58 LEU CB C 88 39.200 41.998 -2.798 1
1 680 . 18 1 1 A 58 58 LEU N N 88 121.900 122.118 -0.218 1
1 681 . 18 1 1 A 59 59 PHE H H 89 7.980 8.744 -0.764 1
1 682 . 18 1 1 A 59 59 PHE HA H 89 4.190 4.081 0.109 1
1 687 . 18 1 1 A 59 59 PHE C C 89 174.600 176.829 -2.229 1
1 688 . 18 1 1 A 59 59 PHE CA C 89 58.300 61.426 -3.126 1
1 689 . 18 1 1 A 59 59 PHE CB C 89 35.900 38.960 -3.060 1
1 693 . 18 1 1 A 59 59 PHE N N 89 117.100 119.411 -2.311 1
1 694 . 18 1 1 A 60 60 LEU H H 90 8.010 8.468 -0.458 1
1 695 . 18 1 1 A 60 60 LEU HA H 90 3.870 3.665 0.205 1
1 705 . 18 1 1 A 60 60 LEU C C 90 176.800 179.153 -2.353 1
1 706 . 18 1 1 A 60 60 LEU CA C 90 55.400 58.350 -2.950 1
1 707 . 18 1 1 A 60 60 LEU CB C 90 38.900 41.968 -3.068 1
1 711 . 18 1 1 A 60 60 LEU N N 90 117.700 119.515 -1.815 1
1 712 . 18 1 1 A 61 61 ILE H H 91 7.910 7.997 -0.087 1
1 713 . 18 1 1 A 61 61 ILE HA H 91 3.790 3.518 0.272 1
1 723 . 18 1 1 A 61 61 ILE CA C 91 62.500 65.370 -2.870 1
1 724 . 18 1 1 A 61 61 ILE CB C 91 35.400 37.896 -2.496 1
1 728 . 18 1 1 A 61 61 ILE N N 91 118.400 118.109 0.291 1
1 729 . 18 1 1 A 62 62 ILE H H 92 7.930 8.445 -0.515 1
1 730 . 18 1 1 A 62 62 ILE HA H 92 3.620 3.535 0.085 1
1 740 . 18 1 1 A 62 62 ILE C C 92 175.000 178.367 -3.367 1
1 741 . 18 1 1 A 62 62 ILE CA C 92 62.800 65.509 -2.709 1
1 742 . 18 1 1 A 62 62 ILE CB C 92 34.600 37.969 -3.369 1
1 746 . 18 1 1 A 62 62 ILE N N 92 121.800 119.972 1.828 1
1 747 . 18 1 1 A 63 63 LEU H H 93 8.250 8.275 -0.025 1
1 748 . 18 1 1 A 63 63 LEU HA H 93 3.880 3.754 0.126 1
1 758 . 18 1 1 A 63 63 LEU C C 93 175.900 178.923 -3.023 1
1 759 . 18 1 1 A 63 63 LEU CA C 93 55.800 58.184 -2.384 1
1 760 . 18 1 1 A 63 63 LEU CB C 93 39.100 41.772 -2.672 1
1 764 . 18 1 1 A 63 63 LEU N N 93 119.800 119.391 0.409 1
1 765 . 18 1 1 A 64 64 HIS H H 94 8.330 8.499 -0.169 1
1 766 . 18 1 1 A 64 64 HIS HA H 94 4.290 4.027 0.263 1
1 770 . 18 1 1 A 64 64 HIS C C 94 175.200 177.283 -2.083 1
1 771 . 18 1 1 A 64 64 HIS CA C 94 56.000 59.940 -3.940 1
1 772 . 18 1 1 A 64 64 HIS CB C 94 25.900 29.444 -3.544 1
1 775 . 18 1 1 A 64 64 HIS N N 94 114.700 118.489 -3.789 1
1 776 . 18 1 1 A 65 65 SER H H 95 8.150 8.309 -0.159 1
1 777 . 18 1 1 A 65 65 SER HA H 95 4.250 3.937 0.313 1
1 779 . 18 1 1 A 65 65 SER C C 95 172.500 176.480 -3.980 1
1 780 . 18 1 1 A 65 65 SER CA C 95 59.900 61.886 -1.986 1
1 781 . 18 1 1 A 65 65 SER CB C 95 60.500 62.727 -2.227 1
1 782 . 18 1 1 A 65 65 SER N N 95 116.200 115.203 0.997 1
1 783 . 18 1 1 A 66 66 ALA H H 96 8.220 8.295 -0.075 1
1 784 . 18 1 1 A 66 66 ALA HA H 96 4.080 4.416 -0.336 1
1 788 . 18 1 1 A 66 66 ALA C C 96 176.400 179.794 -3.394 1
1 789 . 18 1 1 A 66 66 ALA CA C 96 52.600 55.176 -2.576 1
1 790 . 18 1 1 A 66 66 ALA CB C 96 15.600 18.238 -2.638 1
1 791 . 18 1 1 A 66 66 ALA N N 96 123.500 123.737 -0.237 1
1 792 . 18 1 1 A 67 67 LEU H H 97 7.870 8.663 -0.793 1
1 793 . 18 1 1 A 67 67 LEU HA H 97 3.980 3.921 0.059 1
1 803 . 18 1 1 A 67 67 LEU C C 97 176.700 178.852 -2.152 1
1 804 . 18 1 1 A 67 67 LEU CA C 97 55.000 57.835 -2.835 1
1 805 . 18 1 1 A 67 67 LEU CB C 97 38.700 41.675 -2.975 1
1 809 . 18 1 1 A 67 67 LEU N N 97 115.800 118.582 -2.782 1
1 810 . 18 1 1 A 68 68 TYR H H 98 7.830 8.613 -0.783 1
1 811 . 18 1 1 A 68 68 TYR HA H 98 4.320 4.164 0.156 1
1 816 . 18 1 1 A 68 68 TYR C C 98 174.900 177.546 -2.646 1
1 817 . 18 1 1 A 68 68 TYR CA C 98 58.200 61.667 -3.467 1
1 818 . 18 1 1 A 68 68 TYR CB C 98 35.500 38.557 -3.057 1
1 821 . 18 1 1 A 68 68 TYR N N 98 120.300 119.111 1.189 1
1 822 . 18 1 1 A 69 69 PHE H H 99 8.110 8.301 -0.191 1
1 823 . 18 1 1 A 69 69 PHE HA H 99 4.200 4.281 -0.081 1
1 828 . 18 1 1 A 69 69 PHE C C 99 173.600 178.655 -5.055 1
1 829 . 18 1 1 A 69 69 PHE CA C 99 58.400 62.049 -3.649 1
1 830 . 18 1 1 A 69 69 PHE CB C 99 36.100 38.739 -2.639 1
1 834 . 18 1 1 A 69 69 PHE N N 99 117.600 118.330 -0.730 1
1 835 . 18 1 1 A 70 70 LYS H H 100 8.030 8.534 -0.504 1
1 836 . 18 1 1 A 70 70 LYS HA H 100 3.800 4.198 -0.398 1
1 843 . 18 1 1 A 70 70 LYS C C 100 175.700 178.420 -2.720 1
1 844 . 18 1 1 A 70 70 LYS CA C 100 57.300 59.269 -1.969 1
1 845 . 18 1 1 A 70 70 LYS CB C 100 29.500 32.104 -2.604 1
1 849 . 18 1 1 A 70 70 LYS N N 100 118.300 117.927 0.373 1
1 850 . 18 1 1 A 71 71 TYR H H 101 7.720 8.179 -0.459 1
1 851 . 18 1 1 A 71 71 TYR HA H 101 4.210 4.062 0.148 1
1 856 . 18 1 1 A 71 71 TYR C C 101 175.300 177.321 -2.021 1
1 857 . 18 1 1 A 71 71 TYR CA C 101 57.800 61.334 -3.534 1
1 858 . 18 1 1 A 71 71 TYR CB C 101 34.700 38.673 -3.973 1
1 861 . 18 1 1 A 71 71 TYR N N 101 119.600 121.350 -1.750 1
1 862 . 18 1 1 A 72 72 LEU H H 102 7.950 8.352 -0.402 1
1 863 . 18 1 1 A 72 72 LEU HA H 102 3.800 3.674 0.126 1
1 870 . 18 1 1 A 72 72 LEU C C 102 176.300 179.192 -2.892 1
1 871 . 18 1 1 A 72 72 LEU CA C 102 55.100 58.099 -2.999 1
1 872 . 18 1 1 A 72 72 LEU CB C 102 39.500 41.798 -2.298 1
1 876 . 18 1 1 A 72 72 LEU N N 102 121.000 120.695 0.305 1
1 877 . 18 1 1 A 73 73 LEU H H 103 7.870 8.114 -0.244 1
1 878 . 18 1 1 A 73 73 LEU HA H 103 4.030 4.226 -0.196 1
1 888 . 18 1 1 A 73 73 LEU C C 103 176.200 178.612 -2.412 1
1 889 . 18 1 1 A 73 73 LEU CA C 103 54.500 58.298 -3.798 1
1 890 . 18 1 1 A 73 73 LEU CB C 103 39.200 41.616 -2.416 1
1 894 . 18 1 1 A 73 73 LEU N N 103 116.900 118.020 -1.120 1
1 895 . 18 1 1 A 74 74 SER H H 104 7.780 8.470 -0.690 1
1 896 . 18 1 1 A 74 74 SER HA H 104 4.230 4.096 0.134 1
1 898 . 18 1 1 A 74 74 SER C C 104 172.800 177.393 -4.593 1
1 899 . 18 1 1 A 74 74 SER CA C 104 57.900 61.609 -3.709 1
1 900 . 18 1 1 A 74 74 SER CB C 104 60.800 63.029 -2.229 1
1 901 . 18 1 1 A 74 74 SER N N 104 113.200 115.389 -2.189 1
1 902 . 18 1 1 A 75 75 ASN H H 105 7.720 7.688 0.032 1
1 903 . 18 1 1 A 75 75 ASN HA H 105 4.530 4.340 0.190 1
1 906 . 18 1 1 A 75 75 ASN C C 105 173.100 177.131 -4.031 1
1 907 . 18 1 1 A 75 75 ASN CA C 105 51.800 55.786 -3.986 1
1 908 . 18 1 1 A 75 75 ASN CB C 105 36.600 38.772 -2.172 1
1 909 . 18 1 1 A 75 75 ASN N N 105 118.400 119.079 -0.679 1
1 910 . 18 1 1 A 76 76 TYR H H 106 7.720 7.384 0.336 1
1 911 . 18 1 1 A 76 76 TYR HA H 106 4.380 4.389 -0.009 1
1 916 . 18 1 1 A 76 76 TYR C C 106 173.000 176.463 -3.463 1
1 917 . 18 1 1 A 76 76 TYR CA C 106 56.700 60.018 -3.318 1
1 918 . 18 1 1 A 76 76 TYR CB C 106 36.100 38.325 -2.225 1
1 921 . 18 1 1 A 76 76 TYR N N 106 118.900 118.492 0.408 1
1 922 . 18 1 1 A 77 77 SER H H 107 7.650 7.638 0.012 1
1 923 . 18 1 1 A 77 77 SER HA H 107 4.330 4.734 -0.404 1
1 926 . 18 1 1 A 77 77 SER C C 107 171.800 174.175 -2.375 1
1 927 . 18 1 1 A 77 77 SER CA C 107 55.800 57.087 -1.287 1
1 928 . 18 1 1 A 77 77 SER CB C 107 61.400 61.916 -0.516 1
1 929 . 18 1 1 A 77 77 SER N N 107 114.300 113.828 0.472 1
1 930 . 18 1 1 A 78 78 SER H H 108 7.940 8.869 -0.929 1
1 931 . 18 1 1 A 78 78 SER HA H 108 4.440 4.622 -0.182 1
1 933 . 18 1 1 A 78 78 SER C C 108 171.900 174.088 -2.188 1
1 934 . 18 1 1 A 78 78 SER CA C 108 55.800 58.958 -3.158 1
1 935 . 18 1 1 A 78 78 SER CB C 108 61.200 63.622 -2.422 1
1 936 . 18 1 1 A 78 78 SER N N 108 116.600 121.973 -5.373 1
1 937 . 18 1 1 A 79 79 VAL H H 109 7.850 7.553 0.297 1
1 938 . 18 1 1 A 79 79 VAL HA H 109 4.170 4.486 -0.316 1
1 943 . 18 1 1 A 79 79 VAL C C 109 172.900 173.076 -0.176 1
1 944 . 18 1 1 A 79 79 VAL CA C 109 59.900 60.608 -0.708 1
1 945 . 18 1 1 A 79 79 VAL CB C 109 29.900 34.382 -4.482 1
1 948 . 18 1 1 A 79 79 VAL N N 109 120.200 119.483 0.717 1
1 3 . 19 1 1 A 2 2 ASN HA H 32 4.710 5.460 -0.750 1
1 6 . 19 1 1 A 2 2 ASN CA C 32 50.800 52.775 -1.975 1
1 7 . 19 1 1 A 2 2 ASN CB C 32 36.400 40.867 -4.467 1
1 8 . 19 1 1 A 3 3 GLY H H 33 8.470 8.374 0.096 1
1 9 . 19 1 1 A 3 3 GLY HA2 H 33 3.890 4.221 -0.331 1
1 10 . 19 1 1 A 3 3 GLY HA3 H 33 3.990 4.221 -0.231 1
1 11 . 19 1 1 A 3 3 GLY C C 33 171.500 173.078 -1.578 1
1 12 . 19 1 1 A 3 3 GLY CA C 33 42.900 45.710 -2.810 1
1 13 . 19 1 1 A 3 3 GLY N N 33 109.300 112.317 -3.017 1
1 14 . 19 1 1 A 4 4 SER H H 34 8.020 8.742 -0.722 1
1 15 . 19 1 1 A 4 4 SER HA H 34 4.480 4.806 -0.326 1
1 17 . 19 1 1 A 4 4 SER C C 34 171.700 173.272 -1.572 1
1 18 . 19 1 1 A 4 4 SER CA C 34 55.600 57.121 -1.521 1
1 19 . 19 1 1 A 4 4 SER CB C 34 61.400 63.019 -1.619 1
1 20 . 19 1 1 A 4 4 SER N N 34 115.200 113.044 2.156 1
1 21 . 19 1 1 A 5 5 THR H H 35 8.030 8.688 -0.658 1
1 22 . 19 1 1 A 5 5 THR HA H 35 4.300 4.566 -0.266 1
1 27 . 19 1 1 A 5 5 THR C C 35 171.400 174.248 -2.848 1
1 28 . 19 1 1 A 5 5 THR CA C 35 59.500 60.944 -1.444 1
1 29 . 19 1 1 A 5 5 THR CB C 35 67.200 69.682 -2.482 1
1 31 . 19 1 1 A 5 5 THR N N 35 115.600 119.180 -3.580 1
1 32 . 19 1 1 A 6 6 ILE H H 36 7.850 7.307 0.543 1
1 33 . 19 1 1 A 6 6 ILE HA H 36 4.260 4.088 0.172 1
1 43 . 19 1 1 A 6 6 ILE C C 36 171.900 176.089 -4.189 1
1 44 . 19 1 1 A 6 6 ILE CA C 36 58.200 61.241 -3.041 1
1 45 . 19 1 1 A 6 6 ILE CB C 36 36.500 38.203 -1.703 1
1 49 . 19 1 1 A 6 6 ILE N N 36 122.000 123.116 -1.116 1
1 50 . 19 1 1 A 7 7 THR H H 37 7.680 8.210 -0.530 1
1 51 . 19 1 1 A 7 7 THR HA H 37 4.570 4.420 0.150 1
1 56 . 19 1 1 A 7 7 THR C C 37 172.800 175.966 -3.166 1
1 57 . 19 1 1 A 7 7 THR CA C 37 57.400 61.557 -4.157 1
1 58 . 19 1 1 A 7 7 THR CB C 37 68.700 70.455 -1.755 1
1 60 . 19 1 1 A 7 7 THR N N 37 114.700 118.033 -3.333 1
1 61 . 19 1 1 A 8 8 PHE H H 38 8.830 9.013 -0.183 1
1 62 . 19 1 1 A 8 8 PHE HA H 38 4.250 4.294 -0.044 1
1 67 . 19 1 1 A 8 8 PHE C C 38 174.700 177.749 -3.049 1
1 68 . 19 1 1 A 8 8 PHE CA C 38 58.400 61.390 -2.990 1
1 69 . 19 1 1 A 8 8 PHE CB C 38 36.000 38.415 -2.415 1
1 73 . 19 1 1 A 8 8 PHE N N 38 120.900 122.677 -1.777 1
1 74 . 19 1 1 A 9 9 ASP H H 39 8.400 8.355 0.045 1
1 75 . 19 1 1 A 9 9 ASP HA H 39 4.280 4.253 0.027 1
1 77 . 19 1 1 A 9 9 ASP C C 39 176.100 179.097 -2.997 1
1 78 . 19 1 1 A 9 9 ASP CA C 39 54.500 57.435 -2.935 1
1 79 . 19 1 1 A 9 9 ASP CB C 39 37.800 40.323 -2.523 1
1 80 . 19 1 1 A 9 9 ASP N N 39 117.400 120.625 -3.225 1
1 81 . 19 1 1 A 10 10 GLU H H 40 7.740 8.322 -0.582 1
1 82 . 19 1 1 A 10 10 GLU HA H 40 4.090 4.020 0.070 1
1 86 . 19 1 1 A 10 10 GLU C C 40 176.100 179.336 -3.236 1
1 87 . 19 1 1 A 10 10 GLU CA C 40 55.700 59.124 -3.424 1
1 88 . 19 1 1 A 10 10 GLU CB C 40 26.800 29.355 -2.555 1
1 90 . 19 1 1 A 10 10 GLU N N 40 118.800 119.143 -0.343 1
1 91 . 19 1 1 A 11 11 LEU H H 41 7.770 8.245 -0.475 1
1 92 . 19 1 1 A 11 11 LEU HA H 41 4.040 3.886 0.154 1
1 102 . 19 1 1 A 11 11 LEU C C 41 175.500 178.997 -3.497 1
1 103 . 19 1 1 A 11 11 LEU CA C 41 54.600 57.898 -3.298 1
1 104 . 19 1 1 A 11 11 LEU CB C 41 39.200 41.677 -2.477 1
1 108 . 19 1 1 A 11 11 LEU N N 41 119.500 120.778 -1.278 1
1 109 . 19 1 1 A 12 12 GLN H H 42 8.070 8.942 -0.872 1
1 110 . 19 1 1 A 12 12 GLN HA H 42 3.770 4.087 -0.317 1
1 114 . 19 1 1 A 12 12 GLN C C 42 175.400 179.630 -4.230 1
1 115 . 19 1 1 A 12 12 GLN CA C 42 56.500 58.954 -2.454 1
1 116 . 19 1 1 A 12 12 GLN CB C 42 25.800 28.375 -2.575 1
1 118 . 19 1 1 A 12 12 GLN N N 42 116.800 116.964 -0.164 1
1 119 . 19 1 1 A 13 13 GLY H H 43 7.810 8.382 -0.572 1
1 120 . 19 1 1 A 13 13 GLY HA2 H 43 3.850 3.677 0.173 1
1 121 . 19 1 1 A 13 13 GLY HA3 H 43 3.910 3.679 0.231 1
1 122 . 19 1 1 A 13 13 GLY C C 43 173.000 176.088 -3.088 1
1 123 . 19 1 1 A 13 13 GLY CA C 43 43.800 47.343 -3.543 1
1 124 . 19 1 1 A 13 13 GLY N N 43 105.400 109.607 -4.207 1
1 125 . 19 1 1 A 14 14 LEU H H 44 7.650 8.304 -0.654 1
1 126 . 19 1 1 A 14 14 LEU HA H 44 4.210 4.006 0.204 1
1 136 . 19 1 1 A 14 14 LEU C C 44 176.000 178.656 -2.656 1
1 137 . 19 1 1 A 14 14 LEU CA C 44 54.200 58.329 -4.129 1
1 138 . 19 1 1 A 14 14 LEU CB C 44 40.000 41.303 -1.303 1
1 142 . 19 1 1 A 14 14 LEU N N 44 120.900 121.454 -0.554 1
1 143 . 19 1 1 A 15 15 VAL H H 45 7.760 7.737 0.023 1
1 144 . 19 1 1 A 15 15 VAL HA H 45 3.740 3.679 0.061 1
1 152 . 19 1 1 A 15 15 VAL C C 45 173.100 177.597 -4.497 1
1 153 . 19 1 1 A 15 15 VAL CA C 45 61.800 66.543 -4.743 1
1 154 . 19 1 1 A 15 15 VAL CB C 45 29.100 31.138 -2.038 1
1 157 . 19 1 1 A 15 15 VAL N N 45 117.200 120.010 -2.810 1
1 158 . 19 1 1 A 16 16 ASN H H 46 7.820 8.262 -0.442 1
1 159 . 19 1 1 A 16 16 ASN HA H 46 4.600 4.541 0.059 1
1 161 . 19 1 1 A 16 16 ASN CA C 46 51.400 56.118 -4.718 1
1 162 . 19 1 1 A 16 16 ASN CB C 46 36.000 39.045 -3.045 1
1 163 . 19 1 1 A 16 16 ASN N N 46 118.400 119.469 -1.069 1
1 164 . 19 1 1 A 17 17 SER H H 47 8.160 7.428 0.732 1
1 165 . 19 1 1 A 17 17 SER HA H 47 4.380 4.749 -0.369 1
1 168 . 19 1 1 A 17 17 SER CA C 47 57.900 57.199 0.701 1
1 169 . 19 1 1 A 17 17 SER CB C 47 61.000 63.924 -2.924 1
1 170 . 19 1 1 A 18 18 THR H H 48 8.130 7.755 0.375 1
1 171 . 19 1 1 A 18 18 THR HA H 48 3.990 4.505 -0.515 1
1 176 . 19 1 1 A 18 18 THR C C 48 173.800 175.217 -1.417 1
1 177 . 19 1 1 A 18 18 THR CA C 48 63.500 64.198 -0.698 1
1 178 . 19 1 1 A 18 18 THR CB C 48 66.000 69.746 -3.746 1
1 180 . 19 1 1 A 18 18 THR N N 48 118.300 115.211 3.089 1
1 181 . 19 1 1 A 19 19 VAL H H 49 8.100 8.597 -0.497 1
1 182 . 19 1 1 A 19 19 VAL HA H 49 3.640 3.823 -0.183 1
1 190 . 19 1 1 A 19 19 VAL C C 49 174.700 178.033 -3.333 1
1 191 . 19 1 1 A 19 19 VAL CA C 49 64.000 65.162 -1.162 1
1 192 . 19 1 1 A 19 19 VAL CB C 49 29.000 31.433 -2.433 1
1 195 . 19 1 1 A 19 19 VAL N N 49 120.800 121.102 -0.302 1
1 196 . 19 1 1 A 20 20 THR H H 50 7.830 8.233 -0.403 1
1 197 . 19 1 1 A 20 20 THR HA H 50 3.740 3.890 -0.150 1
1 202 . 19 1 1 A 20 20 THR C C 50 173.800 176.827 -3.027 1
1 203 . 19 1 1 A 20 20 THR CA C 50 64.400 65.267 -0.867 1
1 204 . 19 1 1 A 20 20 THR CB C 50 65.500 68.653 -3.153 1
1 206 . 19 1 1 A 20 20 THR N N 50 114.000 116.528 -2.528 1
1 207 . 19 1 1 A 21 21 GLN H H 51 7.920 7.984 -0.064 1
1 208 . 19 1 1 A 21 21 GLN HA H 51 3.970 4.070 -0.100 1
1 211 . 19 1 1 A 21 21 GLN C C 51 175.900 177.841 -1.941 1
1 212 . 19 1 1 A 21 21 GLN CA C 51 56.300 58.368 -2.068 1
1 213 . 19 1 1 A 21 21 GLN CB C 51 25.700 29.008 -3.308 1
1 215 . 19 1 1 A 21 21 GLN N N 51 118.400 120.452 -2.052 1
1 216 . 19 1 1 A 22 22 ALA H H 52 7.960 7.670 0.290 1
1 217 . 19 1 1 A 22 22 ALA HA H 52 4.160 4.181 -0.021 1
1 221 . 19 1 1 A 22 22 ALA C C 52 176.800 180.080 -3.280 1
1 222 . 19 1 1 A 22 22 ALA CA C 52 52.800 55.150 -2.350 1
1 223 . 19 1 1 A 22 22 ALA CB C 52 15.700 18.098 -2.398 1
1 224 . 19 1 1 A 22 22 ALA N N 52 122.200 122.128 0.072 1
1 225 . 19 1 1 A 23 23 ILE H H 53 8.100 7.508 0.592 1
1 226 . 19 1 1 A 23 23 ILE HA H 53 3.660 3.667 -0.007 1
1 236 . 19 1 1 A 23 23 ILE C C 53 175.300 178.301 -3.001 1
1 237 . 19 1 1 A 23 23 ILE CA C 53 62.700 65.116 -2.416 1
1 238 . 19 1 1 A 23 23 ILE CB C 53 35.100 37.699 -2.599 1
1 242 . 19 1 1 A 23 23 ILE N N 53 117.500 119.010 -1.510 1
1 243 . 19 1 1 A 24 24 LEU H H 54 8.160 7.778 0.382 1
1 244 . 19 1 1 A 24 24 LEU HA H 54 3.970 4.009 -0.039 1
1 254 . 19 1 1 A 24 24 LEU C C 54 176.600 178.803 -2.203 1
1 255 . 19 1 1 A 24 24 LEU CA C 54 55.500 57.923 -2.423 1
1 256 . 19 1 1 A 24 24 LEU CB C 54 38.700 41.608 -2.908 1
1 260 . 19 1 1 A 24 24 LEU N N 54 118.900 119.105 -0.205 1
1 261 . 19 1 1 A 25 25 PHE H H 55 8.200 8.547 -0.347 1
1 262 . 19 1 1 A 25 25 PHE HA H 55 4.240 4.175 0.065 1
1 267 . 19 1 1 A 25 25 PHE C C 55 176.300 177.938 -1.638 1
1 268 . 19 1 1 A 25 25 PHE CA C 55 58.500 61.304 -2.804 1
1 269 . 19 1 1 A 25 25 PHE CB C 55 36.300 39.373 -3.073 1
1 273 . 19 1 1 A 25 25 PHE N N 55 119.100 121.779 -2.679 1
1 274 . 19 1 1 A 26 26 GLY H H 56 8.570 8.474 0.096 1
1 275 . 19 1 1 A 26 26 GLY HA2 H 56 3.580 3.361 0.219 1
1 276 . 19 1 1 A 26 26 GLY HA3 H 56 3.670 3.592 0.078 1
1 277 . 19 1 1 A 26 26 GLY C C 56 172.200 175.862 -3.662 1
1 278 . 19 1 1 A 26 26 GLY CA C 56 44.900 46.881 -1.981 1
1 279 . 19 1 1 A 26 26 GLY N N 56 108.900 106.652 2.248 1
1 280 . 19 1 1 A 27 27 VAL H H 57 8.550 8.019 0.531 1
1 281 . 19 1 1 A 27 27 VAL HA H 57 3.640 3.611 0.029 1
1 289 . 19 1 1 A 27 27 VAL C C 57 175.000 177.838 -2.838 1
1 290 . 19 1 1 A 27 27 VAL CA C 57 63.800 66.016 -2.216 1
1 291 . 19 1 1 A 27 27 VAL CB C 57 29.000 31.519 -2.519 1
1 294 . 19 1 1 A 27 27 VAL N N 57 120.000 121.744 -1.744 1
1 295 . 19 1 1 A 28 28 ARG H H 58 8.030 8.029 0.001 1
1 296 . 19 1 1 A 28 28 ARG HA H 58 4.020 4.032 -0.012 1
1 301 . 19 1 1 A 28 28 ARG C C 58 176.700 178.578 -1.878 1
1 302 . 19 1 1 A 28 28 ARG CA C 58 56.700 58.572 -1.872 1
1 303 . 19 1 1 A 28 28 ARG CB C 58 27.600 30.041 -2.441 1
1 306 . 19 1 1 A 28 28 ARG N N 58 118.300 120.530 -2.230 1
1 307 . 19 1 1 A 29 29 SER H H 59 8.020 8.049 -0.029 1
1 308 . 19 1 1 A 29 29 SER HA H 59 4.280 4.033 0.247 1
1 310 . 19 1 1 A 29 29 SER C C 59 173.300 176.762 -3.462 1
1 311 . 19 1 1 A 29 29 SER CA C 59 58.200 62.462 -4.262 1
1 312 . 19 1 1 A 29 29 SER CB C 59 60.700 62.145 -1.445 1
1 313 . 19 1 1 A 29 29 SER N N 59 114.700 116.801 -2.101 1
1 314 . 19 1 1 A 30 30 GLY H H 60 8.310 8.332 -0.022 1
1 315 . 19 1 1 A 30 30 GLY HA2 H 60 3.630 3.698 -0.068 1
1 316 . 19 1 1 A 30 30 GLY HA3 H 60 3.750 3.709 0.041 1
1 317 . 19 1 1 A 30 30 GLY C C 60 171.900 175.845 -3.945 1
1 318 . 19 1 1 A 30 30 GLY CA C 60 44.500 47.244 -2.744 1
1 319 . 19 1 1 A 30 30 GLY N N 60 109.700 109.536 0.164 1
1 320 . 19 1 1 A 31 31 ALA H H 61 8.330 8.025 0.305 1
1 321 . 19 1 1 A 31 31 ALA HA H 61 3.970 4.113 -0.143 1
1 325 . 19 1 1 A 31 31 ALA C C 61 177.200 179.810 -2.610 1
1 326 . 19 1 1 A 31 31 ALA CA C 61 52.900 54.811 -1.911 1
1 327 . 19 1 1 A 31 31 ALA CB C 61 15.500 18.186 -2.686 1
1 328 . 19 1 1 A 31 31 ALA N N 61 122.700 125.556 -2.856 1
1 329 . 19 1 1 A 32 32 ALA H H 62 7.860 8.487 -0.627 1
1 330 . 19 1 1 A 32 32 ALA HA H 62 4.120 4.004 0.116 1
1 334 . 19 1 1 A 32 32 ALA C C 62 177.400 179.450 -2.050 1
1 335 . 19 1 1 A 32 32 ALA CA C 62 52.200 54.965 -2.765 1
1 336 . 19 1 1 A 32 32 ALA CB C 62 15.600 18.311 -2.711 1
1 337 . 19 1 1 A 32 32 ALA N N 62 120.400 119.981 0.419 1
1 338 . 19 1 1 A 33 33 ALA H H 63 7.920 8.191 -0.271 1
1 339 . 19 1 1 A 33 33 ALA HA H 63 4.070 3.991 0.079 1
1 343 . 19 1 1 A 33 33 ALA C C 63 176.200 179.488 -3.288 1
1 344 . 19 1 1 A 33 33 ALA CA C 63 52.100 54.999 -2.899 1
1 345 . 19 1 1 A 33 33 ALA CB C 63 15.800 18.327 -2.527 1
1 346 . 19 1 1 A 33 33 ALA N N 63 120.100 120.708 -0.608 1
1 347 . 19 1 1 A 34 34 LEU H H 64 8.090 8.094 -0.004 1
1 348 . 19 1 1 A 34 34 LEU HA H 64 3.980 4.072 -0.092 1
1 358 . 19 1 1 A 34 34 LEU C C 64 175.900 178.786 -2.886 1
1 359 . 19 1 1 A 34 34 LEU CA C 64 55.500 57.753 -2.253 1
1 360 . 19 1 1 A 34 34 LEU CB C 64 39.100 41.715 -2.615 1
1 364 . 19 1 1 A 34 34 LEU N N 64 116.400 119.849 -3.449 1
1 365 . 19 1 1 A 35 35 THR H H 65 7.860 8.166 -0.306 1
1 366 . 19 1 1 A 35 35 THR HA H 65 3.770 3.987 -0.217 1
1 371 . 19 1 1 A 35 35 THR C C 65 173.100 176.495 -3.395 1
1 372 . 19 1 1 A 35 35 THR CA C 65 64.600 65.168 -0.568 1
1 373 . 19 1 1 A 35 35 THR CB C 65 66.000 68.757 -2.757 1
1 375 . 19 1 1 A 35 35 THR N N 65 113.500 114.246 -0.746 1
1 376 . 19 1 1 A 36 36 LEU H H 66 7.430 7.667 -0.237 1
1 377 . 19 1 1 A 36 36 LEU HA H 66 4.000 4.250 -0.250 1
1 387 . 19 1 1 A 36 36 LEU C C 66 176.800 178.376 -1.576 1
1 388 . 19 1 1 A 36 36 LEU CA C 66 55.500 58.246 -2.746 1
1 389 . 19 1 1 A 36 36 LEU CB C 66 39.200 41.383 -2.183 1
1 393 . 19 1 1 A 36 36 LEU N N 66 120.200 120.084 0.116 1
1 394 . 19 1 1 A 37 37 ILE H H 67 7.750 8.379 -0.629 1
1 395 . 19 1 1 A 37 37 ILE HA H 67 3.800 3.638 0.162 1
1 405 . 19 1 1 A 37 37 ILE C C 67 175.000 178.201 -3.201 1
1 406 . 19 1 1 A 37 37 ILE CA C 67 62.600 65.321 -2.721 1
1 407 . 19 1 1 A 37 37 ILE CB C 67 35.300 38.063 -2.763 1
1 411 . 19 1 1 A 37 37 ILE N N 67 119.600 120.293 -0.693 1
1 412 . 19 1 1 A 38 38 VAL H H 68 8.250 7.915 0.335 1
1 413 . 19 1 1 A 38 38 VAL HA H 68 3.590 3.863 -0.273 1
1 421 . 19 1 1 A 38 38 VAL C C 68 176.600 178.275 -1.675 1
1 422 . 19 1 1 A 38 38 VAL CA C 68 65.000 65.685 -0.685 1
1 423 . 19 1 1 A 38 38 VAL CB C 68 28.900 31.633 -2.733 1
1 426 . 19 1 1 A 38 38 VAL N N 68 119.600 116.663 2.937 1
1 427 . 19 1 1 A 39 39 VAL H H 69 8.370 7.993 0.377 1
1 428 . 19 1 1 A 39 39 VAL HA H 69 3.620 3.755 -0.135 1
1 436 . 19 1 1 A 39 39 VAL C C 69 175.800 178.004 -2.204 1
1 437 . 19 1 1 A 39 39 VAL CA C 69 64.200 66.485 -2.285 1
1 438 . 19 1 1 A 39 39 VAL CB C 69 28.900 31.781 -2.881 1
1 441 . 19 1 1 A 39 39 VAL N N 69 121.700 121.194 0.506 1
1 442 . 19 1 1 A 40 40 TRP H H 70 8.320 8.199 0.121 1
1 443 . 19 1 1 A 40 40 TRP HA H 70 4.150 4.359 -0.209 1
1 449 . 19 1 1 A 40 40 TRP C C 70 176.600 179.401 -2.801 1
1 450 . 19 1 1 A 40 40 TRP CA C 70 59.700 60.745 -1.045 1
1 451 . 19 1 1 A 40 40 TRP CB C 70 26.400 29.087 -2.687 1
1 454 . 19 1 1 A 40 40 TRP N N 70 122.400 118.823 3.577 1
1 456 . 19 1 1 A 41 41 ILE H H 71 8.780 7.994 0.786 1
1 457 . 19 1 1 A 41 41 ILE HA H 71 3.510 3.879 -0.369 1
1 467 . 19 1 1 A 41 41 ILE C C 71 175.600 178.094 -2.494 1
1 468 . 19 1 1 A 41 41 ILE CA C 71 62.500 64.007 -1.507 1
1 469 . 19 1 1 A 41 41 ILE CB C 71 35.700 37.686 -1.986 1
1 473 . 19 1 1 A 41 41 ILE N N 71 117.500 120.928 -3.428 1
1 474 . 19 1 1 A 42 42 THR H H 72 8.280 7.794 0.486 1
1 475 . 19 1 1 A 42 42 THR HA H 72 4.000 4.322 -0.322 1
1 480 . 19 1 1 A 42 42 THR C C 72 173.800 176.005 -2.205 1
1 481 . 19 1 1 A 42 42 THR CA C 72 62.500 65.079 -2.579 1
1 482 . 19 1 1 A 42 42 THR CB C 72 66.500 69.918 -3.418 1
1 484 . 19 1 1 A 42 42 THR N N 72 110.700 117.129 -6.429 1
1 485 . 19 1 1 A 43 43 SER H H 73 7.810 7.765 0.045 1
1 486 . 19 1 1 A 43 43 SER HA H 73 4.320 4.225 0.095 1
1 488 . 19 1 1 A 43 43 SER C C 73 172.800 173.785 -0.985 1
1 489 . 19 1 1 A 43 43 SER CA C 73 57.600 60.693 -3.093 1
1 490 . 19 1 1 A 43 43 SER CB C 73 60.900 63.492 -2.592 1
1 491 . 19 1 1 A 43 43 SER N N 73 115.900 115.035 0.865 1
1 492 . 19 1 1 A 44 44 ARG H H 74 7.490 7.584 -0.094 1
1 493 . 19 1 1 A 44 44 ARG HA H 74 4.120 3.709 0.411 1
1 500 . 19 1 1 A 44 44 ARG C C 74 174.200 175.197 -0.997 1
1 501 . 19 1 1 A 44 44 ARG CA C 74 53.600 56.489 -2.889 1
1 502 . 19 1 1 A 44 44 ARG CB C 74 27.700 27.167 0.533 1
1 505 . 19 1 1 A 44 44 ARG N N 74 120.100 118.915 1.185 1
1 506 . 19 1 1 A 45 45 SER H H 75 7.890 7.044 0.846 1
1 507 . 19 1 1 A 45 45 SER HA H 75 4.210 4.175 0.035 1
1 509 . 19 1 1 A 45 45 SER C C 75 172.300 173.368 -1.068 1
1 510 . 19 1 1 A 45 45 SER CA C 75 56.800 58.377 -1.577 1
1 511 . 19 1 1 A 45 45 SER CB C 75 60.900 63.538 -2.638 1
1 512 . 19 1 1 A 45 45 SER N N 75 114.400 112.827 1.573 1
1 513 . 19 1 1 A 46 46 ARG H H 76 7.850 8.511 -0.661 1
1 514 . 19 1 1 A 46 46 ARG HA H 76 4.220 5.255 -1.035 1
1 519 . 19 1 1 A 46 46 ARG C C 76 173.500 174.982 -1.482 1
1 520 . 19 1 1 A 46 46 ARG CA C 76 53.900 55.299 -1.399 1
1 521 . 19 1 1 A 46 46 ARG CB C 76 27.800 32.483 -4.683 1
1 524 . 19 1 1 A 46 46 ARG N N 76 120.600 118.840 1.760 1
1 525 . 19 1 1 A 47 47 LYS H H 77 7.900 8.898 -0.998 1
1 526 . 19 1 1 A 47 47 LYS HA H 77 4.320 4.552 -0.232 1
1 533 . 19 1 1 A 47 47 LYS C C 77 173.600 176.171 -2.571 1
1 534 . 19 1 1 A 47 47 LYS CA C 77 53.400 57.140 -3.740 1
1 535 . 19 1 1 A 47 47 LYS CB C 77 30.500 35.891 -5.391 1
1 539 . 19 1 1 A 47 47 LYS N N 77 119.100 122.827 -3.727 1
1 540 . 19 1 1 A 48 48 THR H H 78 7.840 7.632 0.208 1
1 541 . 19 1 1 A 48 48 THR HA H 78 4.390 4.518 -0.128 1
1 546 . 19 1 1 A 48 48 THR C C 78 174.000 173.773 0.227 1
1 547 . 19 1 1 A 48 48 THR CA C 78 59.500 60.675 -1.175 1
1 548 . 19 1 1 A 48 48 THR CB C 78 66.600 68.668 -2.068 1
1 550 . 19 1 1 A 48 48 THR N N 78 116.200 112.884 3.316 1
1 551 . 19 1 1 A 49 49 PRO HA H 79 4.410 4.684 -0.274 1
1 557 . 19 1 1 A 49 49 PRO CA C 79 60.800 63.159 -2.359 1
1 558 . 19 1 1 A 49 49 PRO CB C 79 28.900 31.953 -3.053 1
1 561 . 19 1 1 A 50 50 ILE H H 80 7.850 8.533 -0.683 1
1 562 . 19 1 1 A 50 50 ILE HA H 80 3.880 3.792 0.088 1
1 572 . 19 1 1 A 50 50 ILE C C 80 173.500 177.622 -4.122 1
1 573 . 19 1 1 A 50 50 ILE CA C 80 59.800 64.222 -4.422 1
1 574 . 19 1 1 A 50 50 ILE CB C 80 35.600 37.729 -2.129 1
1 578 . 19 1 1 A 50 50 ILE N N 80 119.400 123.731 -4.331 1
1 579 . 19 1 1 A 51 51 PHE H H 81 7.730 8.530 -0.800 1
1 580 . 19 1 1 A 51 51 PHE HA H 81 4.500 4.082 0.418 1
1 585 . 19 1 1 A 51 51 PHE CA C 81 56.200 61.606 -5.406 1
1 586 . 19 1 1 A 51 51 PHE CB C 81 36.500 39.249 -2.749 1
1 590 . 19 1 1 A 51 51 PHE N N 81 118.900 123.650 -4.750 1
1 591 . 19 1 1 A 52 52 ILE H H 82 7.420 8.196 -0.776 1
1 592 . 19 1 1 A 52 52 ILE HA H 82 3.880 3.705 0.175 1
1 602 . 19 1 1 A 52 52 ILE C C 82 173.800 177.985 -4.185 1
1 603 . 19 1 1 A 52 52 ILE CA C 82 59.700 64.505 -4.805 1
1 604 . 19 1 1 A 52 52 ILE CB C 82 35.400 37.719 -2.319 1
1 608 . 19 1 1 A 52 52 ILE N N 82 118.000 120.400 -2.400 1
1 609 . 19 1 1 A 53 53 ILE H H 83 7.540 7.974 -0.434 1
1 610 . 19 1 1 A 53 53 ILE HA H 83 3.890 3.433 0.457 1
1 620 . 19 1 1 A 53 53 ILE C C 83 174.300 178.251 -3.951 1
1 621 . 19 1 1 A 53 53 ILE CA C 83 59.800 65.148 -5.348 1
1 622 . 19 1 1 A 53 53 ILE CB C 83 35.600 37.657 -2.057 1
1 626 . 19 1 1 A 53 53 ILE N N 83 119.300 119.772 -0.472 1
1 627 . 19 1 1 A 54 54 ASN H H 84 8.030 8.371 -0.341 1
1 628 . 19 1 1 A 54 54 ASN HA H 84 4.620 4.427 0.193 1
1 631 . 19 1 1 A 54 54 ASN CA C 84 51.500 56.292 -4.792 1
1 632 . 19 1 1 A 54 54 ASN CB C 84 36.500 37.755 -1.255 1
1 633 . 19 1 1 A 54 54 ASN N N 84 118.300 118.237 0.063 1
1 634 . 19 1 1 A 55 55 GLN H H 85 8.040 8.029 0.011 1
1 635 . 19 1 1 A 55 55 GLN HA H 85 4.210 3.770 0.440 1
1 639 . 19 1 1 A 55 55 GLN CA C 85 54.400 59.076 -4.676 1
1 640 . 19 1 1 A 55 55 GLN CB C 85 25.600 28.349 -2.749 1
1 642 . 19 1 1 A 56 56 VAL H H 86 7.720 8.122 -0.402 1
1 643 . 19 1 1 A 56 56 VAL HA H 86 3.800 3.954 -0.154 1
1 651 . 19 1 1 A 56 56 VAL C C 86 174.200 177.925 -3.725 1
1 652 . 19 1 1 A 56 56 VAL CA C 86 62.700 65.265 -2.565 1
1 653 . 19 1 1 A 56 56 VAL CB C 86 29.100 31.509 -2.409 1
1 656 . 19 1 1 A 56 56 VAL N N 86 118.700 116.966 1.734 1
1 657 . 19 1 1 A 57 57 SER H H 87 8.080 8.171 -0.091 1
1 658 . 19 1 1 A 57 57 SER HA H 87 4.200 4.048 0.152 1
1 660 . 19 1 1 A 57 57 SER C C 87 173.800 177.377 -3.577 1
1 661 . 19 1 1 A 57 57 SER CA C 87 58.400 61.749 -3.349 1
1 662 . 19 1 1 A 57 57 SER CB C 87 60.000 63.096 -3.096 1
1 663 . 19 1 1 A 57 57 SER N N 87 115.300 117.113 -1.813 1
1 664 . 19 1 1 A 58 58 LEU H H 88 7.780 8.250 -0.470 1
1 665 . 19 1 1 A 58 58 LEU HA H 88 4.060 3.859 0.201 1
1 675 . 19 1 1 A 58 58 LEU CA C 88 55.300 57.767 -2.467 1
1 676 . 19 1 1 A 58 58 LEU CB C 88 39.200 41.609 -2.409 1
1 680 . 19 1 1 A 58 58 LEU N N 88 121.900 121.824 0.076 1
1 681 . 19 1 1 A 59 59 PHE H H 89 7.980 8.258 -0.278 1
1 682 . 19 1 1 A 59 59 PHE HA H 89 4.190 4.281 -0.091 1
1 687 . 19 1 1 A 59 59 PHE C C 89 174.600 178.082 -3.482 1
1 688 . 19 1 1 A 59 59 PHE CA C 89 58.300 60.528 -2.228 1
1 689 . 19 1 1 A 59 59 PHE CB C 89 35.900 38.809 -2.909 1
1 693 . 19 1 1 A 59 59 PHE N N 89 117.100 117.679 -0.579 1
1 694 . 19 1 1 A 60 60 LEU H H 90 8.010 8.862 -0.852 1
1 695 . 19 1 1 A 60 60 LEU HA H 90 3.870 3.850 0.020 1
1 705 . 19 1 1 A 60 60 LEU C C 90 176.800 179.332 -2.532 1
1 706 . 19 1 1 A 60 60 LEU CA C 90 55.400 58.501 -3.101 1
1 707 . 19 1 1 A 60 60 LEU CB C 90 38.900 42.093 -3.193 1
1 711 . 19 1 1 A 60 60 LEU N N 90 117.700 119.652 -1.952 1
1 712 . 19 1 1 A 61 61 ILE H H 91 7.910 8.033 -0.123 1
1 713 . 19 1 1 A 61 61 ILE HA H 91 3.790 3.555 0.235 1
1 723 . 19 1 1 A 61 61 ILE CA C 91 62.500 65.533 -3.033 1
1 724 . 19 1 1 A 61 61 ILE CB C 91 35.400 37.787 -2.387 1
1 728 . 19 1 1 A 61 61 ILE N N 91 118.400 118.178 0.222 1
1 729 . 19 1 1 A 62 62 ILE H H 92 7.930 8.574 -0.644 1
1 730 . 19 1 1 A 62 62 ILE HA H 92 3.620 3.597 0.023 1
1 740 . 19 1 1 A 62 62 ILE C C 92 175.000 177.998 -2.998 1
1 741 . 19 1 1 A 62 62 ILE CA C 92 62.800 65.570 -2.770 1
1 742 . 19 1 1 A 62 62 ILE CB C 92 34.600 37.695 -3.095 1
1 746 . 19 1 1 A 62 62 ILE N N 92 121.800 120.327 1.473 1
1 747 . 19 1 1 A 63 63 LEU H H 93 8.250 8.600 -0.350 1
1 748 . 19 1 1 A 63 63 LEU HA H 93 3.880 4.043 -0.163 1
1 758 . 19 1 1 A 63 63 LEU C C 93 175.900 179.117 -3.217 1
1 759 . 19 1 1 A 63 63 LEU CA C 93 55.800 58.702 -2.902 1
1 760 . 19 1 1 A 63 63 LEU CB C 93 39.100 42.036 -2.936 1
1 764 . 19 1 1 A 63 63 LEU N N 93 119.800 121.657 -1.857 1
1 765 . 19 1 1 A 64 64 HIS H H 94 8.330 8.797 -0.467 1
1 766 . 19 1 1 A 64 64 HIS HA H 94 4.290 4.161 0.129 1
1 770 . 19 1 1 A 64 64 HIS C C 94 175.200 177.117 -1.917 1
1 771 . 19 1 1 A 64 64 HIS CA C 94 56.000 59.963 -3.963 1
1 772 . 19 1 1 A 64 64 HIS CB C 94 25.900 29.534 -3.634 1
1 775 . 19 1 1 A 64 64 HIS N N 94 114.700 118.986 -4.286 1
1 776 . 19 1 1 A 65 65 SER H H 95 8.150 8.642 -0.492 1
1 777 . 19 1 1 A 65 65 SER HA H 95 4.250 4.035 0.215 1
1 779 . 19 1 1 A 65 65 SER C C 95 172.500 176.773 -4.273 1
1 780 . 19 1 1 A 65 65 SER CA C 95 59.900 62.101 -2.201 1
1 781 . 19 1 1 A 65 65 SER CB C 95 60.500 62.889 -2.389 1
1 782 . 19 1 1 A 65 65 SER N N 95 116.200 115.401 0.799 1
1 783 . 19 1 1 A 66 66 ALA H H 96 8.220 8.423 -0.203 1
1 784 . 19 1 1 A 66 66 ALA HA H 96 4.080 4.444 -0.364 1
1 788 . 19 1 1 A 66 66 ALA C C 96 176.400 180.130 -3.730 1
1 789 . 19 1 1 A 66 66 ALA CA C 96 52.600 55.203 -2.603 1
1 790 . 19 1 1 A 66 66 ALA CB C 96 15.600 18.160 -2.560 1
1 791 . 19 1 1 A 66 66 ALA N N 96 123.500 123.904 -0.404 1
1 792 . 19 1 1 A 67 67 LEU H H 97 7.870 8.533 -0.663 1
1 793 . 19 1 1 A 67 67 LEU HA H 97 3.980 3.954 0.026 1
1 803 . 19 1 1 A 67 67 LEU C C 97 176.700 178.839 -2.139 1
1 804 . 19 1 1 A 67 67 LEU CA C 97 55.000 57.795 -2.795 1
1 805 . 19 1 1 A 67 67 LEU CB C 97 38.700 42.016 -3.316 1
1 809 . 19 1 1 A 67 67 LEU N N 97 115.800 119.083 -3.283 1
1 810 . 19 1 1 A 68 68 TYR H H 98 7.830 8.528 -0.698 1
1 811 . 19 1 1 A 68 68 TYR HA H 98 4.320 4.099 0.221 1
1 816 . 19 1 1 A 68 68 TYR C C 98 174.900 177.686 -2.786 1
1 817 . 19 1 1 A 68 68 TYR CA C 98 58.200 61.828 -3.628 1
1 818 . 19 1 1 A 68 68 TYR CB C 98 35.500 38.284 -2.784 1
1 821 . 19 1 1 A 68 68 TYR N N 98 120.300 118.711 1.589 1
1 822 . 19 1 1 A 69 69 PHE H H 99 8.110 8.575 -0.465 1
1 823 . 19 1 1 A 69 69 PHE HA H 99 4.200 4.300 -0.100 1
1 828 . 19 1 1 A 69 69 PHE C C 99 173.600 178.903 -5.303 1
1 829 . 19 1 1 A 69 69 PHE CA C 99 58.400 61.906 -3.506 1
1 830 . 19 1 1 A 69 69 PHE CB C 99 36.100 38.872 -2.772 1
1 834 . 19 1 1 A 69 69 PHE N N 99 117.600 119.019 -1.419 1
1 835 . 19 1 1 A 70 70 LYS H H 100 8.030 8.593 -0.563 1
1 836 . 19 1 1 A 70 70 LYS HA H 100 3.800 4.190 -0.390 1
1 843 . 19 1 1 A 70 70 LYS C C 100 175.700 178.257 -2.557 1
1 844 . 19 1 1 A 70 70 LYS CA C 100 57.300 59.285 -1.985 1
1 845 . 19 1 1 A 70 70 LYS CB C 100 29.500 32.184 -2.684 1
1 849 . 19 1 1 A 70 70 LYS N N 100 118.300 118.018 0.282 1
1 850 . 19 1 1 A 71 71 TYR H H 101 7.720 8.396 -0.676 1
1 851 . 19 1 1 A 71 71 TYR HA H 101 4.210 4.230 -0.020 1
1 856 . 19 1 1 A 71 71 TYR C C 101 175.300 177.888 -2.588 1
1 857 . 19 1 1 A 71 71 TYR CA C 101 57.800 61.325 -3.525 1
1 858 . 19 1 1 A 71 71 TYR CB C 101 34.700 38.510 -3.810 1
1 861 . 19 1 1 A 71 71 TYR N N 101 119.600 121.420 -1.820 1
1 862 . 19 1 1 A 72 72 LEU H H 102 7.950 8.359 -0.409 1
1 863 . 19 1 1 A 72 72 LEU HA H 102 3.800 3.744 0.056 1
1 870 . 19 1 1 A 72 72 LEU C C 102 176.300 178.761 -2.461 1
1 871 . 19 1 1 A 72 72 LEU CA C 102 55.100 58.013 -2.913 1
1 872 . 19 1 1 A 72 72 LEU CB C 102 39.500 41.431 -1.931 1
1 876 . 19 1 1 A 72 72 LEU N N 102 121.000 119.734 1.266 1
1 877 . 19 1 1 A 73 73 LEU H H 103 7.870 8.087 -0.217 1
1 878 . 19 1 1 A 73 73 LEU HA H 103 4.030 4.237 -0.207 1
1 888 . 19 1 1 A 73 73 LEU C C 103 176.200 179.361 -3.161 1
1 889 . 19 1 1 A 73 73 LEU CA C 103 54.500 58.237 -3.737 1
1 890 . 19 1 1 A 73 73 LEU CB C 103 39.200 41.280 -2.080 1
1 894 . 19 1 1 A 73 73 LEU N N 103 116.900 119.814 -2.914 1
1 895 . 19 1 1 A 74 74 SER H H 104 7.780 8.217 -0.437 1
1 896 . 19 1 1 A 74 74 SER HA H 104 4.230 4.120 0.110 1
1 898 . 19 1 1 A 74 74 SER C C 104 172.800 176.299 -3.499 1
1 899 . 19 1 1 A 74 74 SER CA C 104 57.900 61.948 -4.048 1
1 900 . 19 1 1 A 74 74 SER CB C 104 60.800 62.784 -1.984 1
1 901 . 19 1 1 A 74 74 SER N N 104 113.200 117.056 -3.856 1
1 902 . 19 1 1 A 75 75 ASN H H 105 7.720 7.581 0.139 1
1 903 . 19 1 1 A 75 75 ASN HA H 105 4.530 4.664 -0.134 1
1 906 . 19 1 1 A 75 75 ASN C C 105 173.100 177.114 -4.014 1
1 907 . 19 1 1 A 75 75 ASN CA C 105 51.800 55.246 -3.446 1
1 908 . 19 1 1 A 75 75 ASN CB C 105 36.600 38.059 -1.459 1
1 909 . 19 1 1 A 75 75 ASN N N 105 118.400 120.197 -1.797 1
1 910 . 19 1 1 A 76 76 TYR H H 106 7.720 7.931 -0.211 1
1 911 . 19 1 1 A 76 76 TYR HA H 106 4.380 4.203 0.177 1
1 916 . 19 1 1 A 76 76 TYR C C 106 173.000 175.326 -2.326 1
1 917 . 19 1 1 A 76 76 TYR CA C 106 56.700 60.870 -4.170 1
1 918 . 19 1 1 A 76 76 TYR CB C 106 36.100 39.097 -2.997 1
1 921 . 19 1 1 A 76 76 TYR N N 106 118.900 121.779 -2.879 1
1 922 . 19 1 1 A 77 77 SER H H 107 7.650 7.476 0.174 1
1 923 . 19 1 1 A 77 77 SER HA H 107 4.330 4.837 -0.507 1
1 926 . 19 1 1 A 77 77 SER C C 107 171.800 173.253 -1.453 1
1 927 . 19 1 1 A 77 77 SER CA C 107 55.800 56.537 -0.737 1
1 928 . 19 1 1 A 77 77 SER CB C 107 61.400 65.499 -4.099 1
1 929 . 19 1 1 A 77 77 SER N N 107 114.300 113.493 0.807 1
1 930 . 19 1 1 A 78 78 SER H H 108 7.940 8.657 -0.717 1
1 931 . 19 1 1 A 78 78 SER HA H 108 4.440 4.677 -0.237 1
1 933 . 19 1 1 A 78 78 SER C C 108 171.900 173.963 -2.063 1
1 934 . 19 1 1 A 78 78 SER CA C 108 55.800 58.451 -2.651 1
1 935 . 19 1 1 A 78 78 SER CB C 108 61.200 63.772 -2.572 1
1 936 . 19 1 1 A 78 78 SER N N 108 116.600 121.250 -4.650 1
1 937 . 19 1 1 A 79 79 VAL H H 109 7.850 7.410 0.440 1
1 938 . 19 1 1 A 79 79 VAL HA H 109 4.170 4.487 -0.317 1
1 943 . 19 1 1 A 79 79 VAL C C 109 172.900 174.441 -1.541 1
1 944 . 19 1 1 A 79 79 VAL CA C 109 59.900 60.449 -0.549 1
1 945 . 19 1 1 A 79 79 VAL CB C 109 29.900 33.484 -3.584 1
1 948 . 19 1 1 A 79 79 VAL N N 109 120.200 116.895 3.305 1
1 3 . 20 1 1 A 2 2 ASN HA H 32 4.710 4.823 -0.113 1
1 6 . 20 1 1 A 2 2 ASN CA C 32 50.800 54.940 -4.140 1
1 7 . 20 1 1 A 2 2 ASN CB C 32 36.400 39.129 -2.729 1
1 8 . 20 1 1 A 3 3 GLY H H 33 8.470 7.797 0.673 1
1 9 . 20 1 1 A 3 3 GLY HA2 H 33 3.890 4.045 -0.155 1
1 10 . 20 1 1 A 3 3 GLY HA3 H 33 3.990 4.046 -0.056 1
1 11 . 20 1 1 A 3 3 GLY C C 33 171.500 173.339 -1.839 1
1 12 . 20 1 1 A 3 3 GLY CA C 33 42.900 43.950 -1.050 1
1 13 . 20 1 1 A 3 3 GLY N N 33 109.300 109.056 0.244 1
1 14 . 20 1 1 A 4 4 SER H H 34 8.020 8.424 -0.404 1
1 15 . 20 1 1 A 4 4 SER HA H 34 4.480 4.913 -0.433 1
1 17 . 20 1 1 A 4 4 SER C C 34 171.700 173.040 -1.340 1
1 18 . 20 1 1 A 4 4 SER CA C 34 55.600 56.913 -1.313 1
1 19 . 20 1 1 A 4 4 SER CB C 34 61.400 63.394 -1.994 1
1 20 . 20 1 1 A 4 4 SER N N 34 115.200 112.469 2.731 1
1 21 . 20 1 1 A 5 5 THR H H 35 8.030 8.849 -0.819 1
1 22 . 20 1 1 A 5 5 THR HA H 35 4.300 4.619 -0.319 1
1 27 . 20 1 1 A 5 5 THR C C 35 171.400 174.187 -2.787 1
1 28 . 20 1 1 A 5 5 THR CA C 35 59.500 61.030 -1.530 1
1 29 . 20 1 1 A 5 5 THR CB C 35 67.200 69.677 -2.477 1
1 31 . 20 1 1 A 5 5 THR N N 35 115.600 120.243 -4.643 1
1 32 . 20 1 1 A 6 6 ILE H H 36 7.850 7.332 0.518 1
1 33 . 20 1 1 A 6 6 ILE HA H 36 4.260 4.104 0.156 1
1 43 . 20 1 1 A 6 6 ILE C C 36 171.900 176.310 -4.410 1
1 44 . 20 1 1 A 6 6 ILE CA C 36 58.200 60.451 -2.251 1
1 45 . 20 1 1 A 6 6 ILE CB C 36 36.500 38.405 -1.905 1
1 49 . 20 1 1 A 6 6 ILE N N 36 122.000 123.007 -1.007 1
1 50 . 20 1 1 A 7 7 THR H H 37 7.680 8.451 -0.771 1
1 51 . 20 1 1 A 7 7 THR HA H 37 4.570 4.629 -0.059 1
1 56 . 20 1 1 A 7 7 THR C C 37 172.800 175.858 -3.058 1
1 57 . 20 1 1 A 7 7 THR CA C 37 57.400 61.418 -4.018 1
1 58 . 20 1 1 A 7 7 THR CB C 37 68.700 70.149 -1.449 1
1 60 . 20 1 1 A 7 7 THR N N 37 114.700 118.677 -3.977 1
1 61 . 20 1 1 A 8 8 PHE H H 38 8.830 8.974 -0.144 1
1 62 . 20 1 1 A 8 8 PHE HA H 38 4.250 4.417 -0.167 1
1 67 . 20 1 1 A 8 8 PHE C C 38 174.700 177.542 -2.842 1
1 68 . 20 1 1 A 8 8 PHE CA C 38 58.400 61.636 -3.236 1
1 69 . 20 1 1 A 8 8 PHE CB C 38 36.000 38.663 -2.663 1
1 73 . 20 1 1 A 8 8 PHE N N 38 120.900 122.355 -1.455 1
1 74 . 20 1 1 A 9 9 ASP H H 39 8.400 8.631 -0.231 1
1 75 . 20 1 1 A 9 9 ASP HA H 39 4.280 4.216 0.064 1
1 77 . 20 1 1 A 9 9 ASP C C 39 176.100 178.446 -2.346 1
1 78 . 20 1 1 A 9 9 ASP CA C 39 54.500 57.245 -2.745 1
1 79 . 20 1 1 A 9 9 ASP CB C 39 37.800 40.232 -2.432 1
1 80 . 20 1 1 A 9 9 ASP N N 39 117.400 121.200 -3.800 1
1 81 . 20 1 1 A 10 10 GLU H H 40 7.740 8.304 -0.564 1
1 82 . 20 1 1 A 10 10 GLU HA H 40 4.090 4.088 0.002 1
1 86 . 20 1 1 A 10 10 GLU C C 40 176.100 179.303 -3.203 1
1 87 . 20 1 1 A 10 10 GLU CA C 40 55.700 59.184 -3.484 1
1 88 . 20 1 1 A 10 10 GLU CB C 40 26.800 29.387 -2.587 1
1 90 . 20 1 1 A 10 10 GLU N N 40 118.800 117.747 1.053 1
1 91 . 20 1 1 A 11 11 LEU H H 41 7.770 8.221 -0.451 1
1 92 . 20 1 1 A 11 11 LEU HA H 41 4.040 3.973 0.067 1
1 102 . 20 1 1 A 11 11 LEU C C 41 175.500 179.065 -3.565 1
1 103 . 20 1 1 A 11 11 LEU CA C 41 54.600 58.096 -3.496 1
1 104 . 20 1 1 A 11 11 LEU CB C 41 39.200 40.987 -1.787 1
1 108 . 20 1 1 A 11 11 LEU N N 41 119.500 120.805 -1.305 1
1 109 . 20 1 1 A 12 12 GLN H H 42 8.070 8.154 -0.084 1
1 110 . 20 1 1 A 12 12 GLN HA H 42 3.770 4.032 -0.262 1
1 114 . 20 1 1 A 12 12 GLN C C 42 175.400 179.275 -3.875 1
1 115 . 20 1 1 A 12 12 GLN CA C 42 56.500 58.876 -2.376 1
1 116 . 20 1 1 A 12 12 GLN CB C 42 25.800 28.521 -2.721 1
1 118 . 20 1 1 A 12 12 GLN N N 42 116.800 117.271 -0.471 1
1 119 . 20 1 1 A 13 13 GLY H H 43 7.810 8.330 -0.520 1
1 120 . 20 1 1 A 13 13 GLY HA2 H 43 3.850 3.691 0.159 1
1 121 . 20 1 1 A 13 13 GLY HA3 H 43 3.910 3.693 0.217 1
1 122 . 20 1 1 A 13 13 GLY C C 43 173.000 176.215 -3.215 1
1 123 . 20 1 1 A 13 13 GLY CA C 43 43.800 47.307 -3.507 1
1 124 . 20 1 1 A 13 13 GLY N N 43 105.400 108.725 -3.325 1
1 125 . 20 1 1 A 14 14 LEU H H 44 7.650 8.301 -0.651 1
1 126 . 20 1 1 A 14 14 LEU HA H 44 4.210 3.984 0.226 1
1 136 . 20 1 1 A 14 14 LEU C C 44 176.000 178.788 -2.788 1
1 137 . 20 1 1 A 14 14 LEU CA C 44 54.200 58.179 -3.979 1
1 138 . 20 1 1 A 14 14 LEU CB C 44 40.000 41.919 -1.919 1
1 142 . 20 1 1 A 14 14 LEU N N 44 120.900 123.227 -2.327 1
1 143 . 20 1 1 A 15 15 VAL H H 45 7.760 8.229 -0.469 1
1 144 . 20 1 1 A 15 15 VAL HA H 45 3.740 3.825 -0.085 1
1 152 . 20 1 1 A 15 15 VAL C C 45 173.100 177.558 -4.458 1
1 153 . 20 1 1 A 15 15 VAL CA C 45 61.800 64.935 -3.135 1
1 154 . 20 1 1 A 15 15 VAL CB C 45 29.100 31.524 -2.424 1
1 157 . 20 1 1 A 15 15 VAL N N 45 117.200 118.600 -1.400 1
1 158 . 20 1 1 A 16 16 ASN H H 46 7.820 7.942 -0.122 1
1 159 . 20 1 1 A 16 16 ASN HA H 46 4.600 4.546 0.054 1
1 161 . 20 1 1 A 16 16 ASN CA C 46 51.400 56.017 -4.617 1
1 162 . 20 1 1 A 16 16 ASN CB C 46 36.000 39.085 -3.085 1
1 163 . 20 1 1 A 16 16 ASN N N 46 118.400 120.371 -1.971 1
1 164 . 20 1 1 A 17 17 SER H H 47 8.160 7.606 0.554 1
1 165 . 20 1 1 A 17 17 SER HA H 47 4.380 4.750 -0.370 1
1 168 . 20 1 1 A 17 17 SER CA C 47 57.900 57.340 0.560 1
1 169 . 20 1 1 A 17 17 SER CB C 47 61.000 63.595 -2.595 1
1 170 . 20 1 1 A 18 18 THR H H 48 8.130 8.009 0.121 1
1 171 . 20 1 1 A 18 18 THR HA H 48 3.990 4.537 -0.547 1
1 176 . 20 1 1 A 18 18 THR C C 48 173.800 175.047 -1.247 1
1 177 . 20 1 1 A 18 18 THR CA C 48 63.500 64.039 -0.539 1
1 178 . 20 1 1 A 18 18 THR CB C 48 66.000 70.201 -4.201 1
1 180 . 20 1 1 A 18 18 THR N N 48 118.300 114.839 3.461 1
1 181 . 20 1 1 A 19 19 VAL H H 49 8.100 8.381 -0.281 1
1 182 . 20 1 1 A 19 19 VAL HA H 49 3.640 3.774 -0.134 1
1 190 . 20 1 1 A 19 19 VAL C C 49 174.700 178.055 -3.355 1
1 191 . 20 1 1 A 19 19 VAL CA C 49 64.000 65.129 -1.129 1
1 192 . 20 1 1 A 19 19 VAL CB C 49 29.000 31.388 -2.388 1
1 195 . 20 1 1 A 19 19 VAL N N 49 120.800 121.183 -0.383 1
1 196 . 20 1 1 A 20 20 THR H H 50 7.830 8.181 -0.351 1
1 197 . 20 1 1 A 20 20 THR HA H 50 3.740 3.911 -0.171 1
1 202 . 20 1 1 A 20 20 THR C C 50 173.800 176.716 -2.916 1
1 203 . 20 1 1 A 20 20 THR CA C 50 64.400 65.293 -0.893 1
1 204 . 20 1 1 A 20 20 THR CB C 50 65.500 68.614 -3.114 1
1 206 . 20 1 1 A 20 20 THR N N 50 114.000 116.079 -2.079 1
1 207 . 20 1 1 A 21 21 GLN H H 51 7.920 8.123 -0.203 1
1 208 . 20 1 1 A 21 21 GLN HA H 51 3.970 4.076 -0.106 1
1 211 . 20 1 1 A 21 21 GLN C C 51 175.900 178.143 -2.243 1
1 212 . 20 1 1 A 21 21 GLN CA C 51 56.300 58.224 -1.924 1
1 213 . 20 1 1 A 21 21 GLN CB C 51 25.700 29.078 -3.378 1
1 215 . 20 1 1 A 21 21 GLN N N 51 118.400 120.322 -1.922 1
1 216 . 20 1 1 A 22 22 ALA H H 52 7.960 8.092 -0.132 1
1 217 . 20 1 1 A 22 22 ALA HA H 52 4.160 4.155 0.005 1
1 221 . 20 1 1 A 22 22 ALA C C 52 176.800 180.052 -3.252 1
1 222 . 20 1 1 A 22 22 ALA CA C 52 52.800 55.224 -2.424 1
1 223 . 20 1 1 A 22 22 ALA CB C 52 15.700 18.537 -2.837 1
1 224 . 20 1 1 A 22 22 ALA N N 52 122.200 122.115 0.085 1
1 225 . 20 1 1 A 23 23 ILE H H 53 8.100 8.052 0.048 1
1 226 . 20 1 1 A 23 23 ILE HA H 53 3.660 3.682 -0.022 1
1 236 . 20 1 1 A 23 23 ILE C C 53 175.300 178.403 -3.103 1
1 237 . 20 1 1 A 23 23 ILE CA C 53 62.700 65.373 -2.673 1
1 238 . 20 1 1 A 23 23 ILE CB C 53 35.100 38.122 -3.022 1
1 242 . 20 1 1 A 23 23 ILE N N 53 117.500 118.596 -1.096 1
1 243 . 20 1 1 A 24 24 LEU H H 54 8.160 7.938 0.222 1
1 244 . 20 1 1 A 24 24 LEU HA H 54 3.970 3.937 0.033 1
1 254 . 20 1 1 A 24 24 LEU C C 54 176.600 178.946 -2.346 1
1 255 . 20 1 1 A 24 24 LEU CA C 54 55.500 58.341 -2.841 1
1 256 . 20 1 1 A 24 24 LEU CB C 54 38.700 41.823 -3.123 1
1 260 . 20 1 1 A 24 24 LEU N N 54 118.900 118.891 0.009 1
1 261 . 20 1 1 A 25 25 PHE H H 55 8.200 8.714 -0.514 1
1 262 . 20 1 1 A 25 25 PHE HA H 55 4.240 4.155 0.085 1
1 267 . 20 1 1 A 25 25 PHE C C 55 176.300 177.842 -1.542 1
1 268 . 20 1 1 A 25 25 PHE CA C 55 58.500 61.440 -2.940 1
1 269 . 20 1 1 A 25 25 PHE CB C 55 36.300 38.972 -2.672 1
1 273 . 20 1 1 A 25 25 PHE N N 55 119.100 118.605 0.495 1
1 274 . 20 1 1 A 26 26 GLY H H 56 8.570 8.822 -0.252 1
1 275 . 20 1 1 A 26 26 GLY HA2 H 56 3.580 3.728 -0.148 1
1 276 . 20 1 1 A 26 26 GLY HA3 H 56 3.670 3.766 -0.096 1
1 277 . 20 1 1 A 26 26 GLY C C 56 172.200 175.981 -3.781 1
1 278 . 20 1 1 A 26 26 GLY CA C 56 44.900 47.047 -2.147 1
1 279 . 20 1 1 A 26 26 GLY N N 56 108.900 106.620 2.280 1
1 280 . 20 1 1 A 27 27 VAL H H 57 8.550 8.122 0.428 1
1 281 . 20 1 1 A 27 27 VAL HA H 57 3.640 3.647 -0.007 1
1 289 . 20 1 1 A 27 27 VAL C C 57 175.000 177.763 -2.763 1
1 290 . 20 1 1 A 27 27 VAL CA C 57 63.800 65.961 -2.161 1
1 291 . 20 1 1 A 27 27 VAL CB C 57 29.000 31.593 -2.593 1
1 294 . 20 1 1 A 27 27 VAL N N 57 120.000 122.126 -2.126 1
1 295 . 20 1 1 A 28 28 ARG H H 58 8.030 8.158 -0.128 1
1 296 . 20 1 1 A 28 28 ARG HA H 58 4.020 4.052 -0.032 1
1 301 . 20 1 1 A 28 28 ARG C C 58 176.700 178.275 -1.575 1
1 302 . 20 1 1 A 28 28 ARG CA C 58 56.700 58.453 -1.753 1
1 303 . 20 1 1 A 28 28 ARG CB C 58 27.600 30.250 -2.650 1
1 306 . 20 1 1 A 28 28 ARG N N 58 118.300 120.877 -2.577 1
1 307 . 20 1 1 A 29 29 SER H H 59 8.020 7.772 0.248 1
1 308 . 20 1 1 A 29 29 SER HA H 59 4.280 4.042 0.238 1
1 310 . 20 1 1 A 29 29 SER C C 59 173.300 177.123 -3.823 1
1 311 . 20 1 1 A 29 29 SER CA C 59 58.200 61.186 -2.986 1
1 312 . 20 1 1 A 29 29 SER CB C 59 60.700 62.814 -2.114 1
1 313 . 20 1 1 A 29 29 SER N N 59 114.700 115.466 -0.766 1
1 314 . 20 1 1 A 30 30 GLY H H 60 8.310 8.377 -0.067 1
1 315 . 20 1 1 A 30 30 GLY HA2 H 60 3.630 3.743 -0.113 1
1 316 . 20 1 1 A 30 30 GLY HA3 H 60 3.750 3.748 0.002 1
1 317 . 20 1 1 A 30 30 GLY C C 60 171.900 175.946 -4.046 1
1 318 . 20 1 1 A 30 30 GLY CA C 60 44.500 47.382 -2.882 1
1 319 . 20 1 1 A 30 30 GLY N N 60 109.700 109.653 0.047 1
1 320 . 20 1 1 A 31 31 ALA H H 61 8.330 7.986 0.344 1
1 321 . 20 1 1 A 31 31 ALA HA H 61 3.970 4.093 -0.123 1
1 325 . 20 1 1 A 31 31 ALA C C 61 177.200 179.685 -2.485 1
1 326 . 20 1 1 A 31 31 ALA CA C 61 52.900 54.790 -1.890 1
1 327 . 20 1 1 A 31 31 ALA CB C 61 15.500 18.213 -2.713 1
1 328 . 20 1 1 A 31 31 ALA N N 61 122.700 124.791 -2.091 1
1 329 . 20 1 1 A 32 32 ALA H H 62 7.860 8.275 -0.415 1
1 330 . 20 1 1 A 32 32 ALA HA H 62 4.120 4.014 0.106 1
1 334 . 20 1 1 A 32 32 ALA C C 62 177.400 179.935 -2.535 1
1 335 . 20 1 1 A 32 32 ALA CA C 62 52.200 54.980 -2.780 1
1 336 . 20 1 1 A 32 32 ALA CB C 62 15.600 18.244 -2.644 1
1 337 . 20 1 1 A 32 32 ALA N N 62 120.400 119.957 0.443 1
1 338 . 20 1 1 A 33 33 ALA H H 63 7.920 8.267 -0.347 1
1 339 . 20 1 1 A 33 33 ALA HA H 63 4.070 4.113 -0.043 1
1 343 . 20 1 1 A 33 33 ALA C C 63 176.200 179.715 -3.515 1
1 344 . 20 1 1 A 33 33 ALA CA C 63 52.100 55.066 -2.966 1
1 345 . 20 1 1 A 33 33 ALA CB C 63 15.800 18.278 -2.478 1
1 346 . 20 1 1 A 33 33 ALA N N 63 120.100 120.962 -0.862 1
1 347 . 20 1 1 A 34 34 LEU H H 64 8.090 8.157 -0.067 1
1 348 . 20 1 1 A 34 34 LEU HA H 64 3.980 4.040 -0.060 1
1 358 . 20 1 1 A 34 34 LEU C C 64 175.900 178.755 -2.855 1
1 359 . 20 1 1 A 34 34 LEU CA C 64 55.500 58.338 -2.838 1
1 360 . 20 1 1 A 34 34 LEU CB C 64 39.100 41.885 -2.785 1
1 364 . 20 1 1 A 34 34 LEU N N 64 116.400 120.198 -3.798 1
1 365 . 20 1 1 A 35 35 THR H H 65 7.860 8.248 -0.388 1
1 366 . 20 1 1 A 35 35 THR HA H 65 3.770 3.924 -0.154 1
1 371 . 20 1 1 A 35 35 THR C C 65 173.100 176.428 -3.328 1
1 372 . 20 1 1 A 35 35 THR CA C 65 64.600 65.630 -1.030 1
1 373 . 20 1 1 A 35 35 THR CB C 65 66.000 68.965 -2.965 1
1 375 . 20 1 1 A 35 35 THR N N 65 113.500 114.156 -0.656 1
1 376 . 20 1 1 A 36 36 LEU H H 66 7.430 7.856 -0.426 1
1 377 . 20 1 1 A 36 36 LEU HA H 66 4.000 4.117 -0.117 1
1 387 . 20 1 1 A 36 36 LEU C C 66 176.800 178.622 -1.822 1
1 388 . 20 1 1 A 36 36 LEU CA C 66 55.500 58.206 -2.706 1
1 389 . 20 1 1 A 36 36 LEU CB C 66 39.200 41.118 -1.918 1
1 393 . 20 1 1 A 36 36 LEU N N 66 120.200 121.556 -1.356 1
1 394 . 20 1 1 A 37 37 ILE H H 67 7.750 8.150 -0.400 1
1 395 . 20 1 1 A 37 37 ILE HA H 67 3.800 3.821 -0.021 1
1 405 . 20 1 1 A 37 37 ILE C C 67 175.000 178.111 -3.111 1
1 406 . 20 1 1 A 37 37 ILE CA C 67 62.600 65.758 -3.158 1
1 407 . 20 1 1 A 37 37 ILE CB C 67 35.300 37.584 -2.284 1
1 411 . 20 1 1 A 37 37 ILE N N 67 119.600 118.854 0.746 1
1 412 . 20 1 1 A 38 38 VAL H H 68 8.250 7.997 0.253 1
1 413 . 20 1 1 A 38 38 VAL HA H 68 3.590 3.649 -0.059 1
1 421 . 20 1 1 A 38 38 VAL C C 68 176.600 177.947 -1.347 1
1 422 . 20 1 1 A 38 38 VAL CA C 68 65.000 66.854 -1.854 1
1 423 . 20 1 1 A 38 38 VAL CB C 68 28.900 31.652 -2.752 1
1 426 . 20 1 1 A 38 38 VAL N N 68 119.600 119.554 0.046 1
1 427 . 20 1 1 A 39 39 VAL H H 69 8.370 8.588 -0.218 1
1 428 . 20 1 1 A 39 39 VAL HA H 69 3.620 3.763 -0.143 1
1 436 . 20 1 1 A 39 39 VAL C C 69 175.800 177.985 -2.185 1
1 437 . 20 1 1 A 39 39 VAL CA C 69 64.200 64.864 -0.664 1
1 438 . 20 1 1 A 39 39 VAL CB C 69 28.900 31.436 -2.536 1
1 441 . 20 1 1 A 39 39 VAL N N 69 121.700 119.547 2.153 1
1 442 . 20 1 1 A 40 40 TRP H H 70 8.320 8.533 -0.213 1
1 443 . 20 1 1 A 40 40 TRP HA H 70 4.150 4.296 -0.146 1
1 449 . 20 1 1 A 40 40 TRP C C 70 176.600 178.513 -1.913 1
1 450 . 20 1 1 A 40 40 TRP CA C 70 59.700 61.378 -1.678 1
1 451 . 20 1 1 A 40 40 TRP CB C 70 26.400 29.722 -3.322 1
1 454 . 20 1 1 A 40 40 TRP N N 70 122.400 122.818 -0.418 1
1 456 . 20 1 1 A 41 41 ILE H H 71 8.780 8.142 0.638 1
1 457 . 20 1 1 A 41 41 ILE HA H 71 3.510 3.184 0.326 1
1 467 . 20 1 1 A 41 41 ILE C C 71 175.600 178.150 -2.550 1
1 468 . 20 1 1 A 41 41 ILE CA C 71 62.500 64.270 -1.770 1
1 469 . 20 1 1 A 41 41 ILE CB C 71 35.700 37.503 -1.803 1
1 473 . 20 1 1 A 41 41 ILE N N 71 117.500 120.918 -3.418 1
1 474 . 20 1 1 A 42 42 THR H H 72 8.280 8.222 0.058 1
1 475 . 20 1 1 A 42 42 THR HA H 72 4.000 3.850 0.150 1
1 480 . 20 1 1 A 42 42 THR C C 72 173.800 176.838 -3.038 1
1 481 . 20 1 1 A 42 42 THR CA C 72 62.500 65.575 -3.075 1
1 482 . 20 1 1 A 42 42 THR CB C 72 66.500 69.061 -2.561 1
1 484 . 20 1 1 A 42 42 THR N N 72 110.700 114.677 -3.977 1
1 485 . 20 1 1 A 43 43 SER H H 73 7.810 8.053 -0.243 1
1 486 . 20 1 1 A 43 43 SER HA H 73 4.320 4.459 -0.139 1
1 488 . 20 1 1 A 43 43 SER C C 73 172.800 174.162 -1.362 1
1 489 . 20 1 1 A 43 43 SER CA C 73 57.600 58.749 -1.149 1
1 490 . 20 1 1 A 43 43 SER CB C 73 60.900 63.743 -2.843 1
1 491 . 20 1 1 A 43 43 SER N N 73 115.900 115.392 0.508 1
1 492 . 20 1 1 A 44 44 ARG H H 74 7.490 7.917 -0.427 1
1 493 . 20 1 1 A 44 44 ARG HA H 74 4.120 4.047 0.073 1
1 500 . 20 1 1 A 44 44 ARG C C 74 174.200 176.131 -1.931 1
1 501 . 20 1 1 A 44 44 ARG CA C 74 53.600 56.998 -3.398 1
1 502 . 20 1 1 A 44 44 ARG CB C 74 27.700 28.751 -1.051 1
1 505 . 20 1 1 A 44 44 ARG N N 74 120.100 120.981 -0.881 1
1 506 . 20 1 1 A 45 45 SER H H 75 7.890 7.646 0.244 1
1 507 . 20 1 1 A 45 45 SER HA H 75 4.210 4.381 -0.171 1
1 509 . 20 1 1 A 45 45 SER C C 75 172.300 175.056 -2.756 1
1 510 . 20 1 1 A 45 45 SER CA C 75 56.800 58.949 -2.149 1
1 511 . 20 1 1 A 45 45 SER CB C 75 60.900 63.921 -3.021 1
1 512 . 20 1 1 A 45 45 SER N N 75 114.400 115.079 -0.679 1
1 513 . 20 1 1 A 46 46 ARG H H 76 7.850 8.518 -0.668 1
1 514 . 20 1 1 A 46 46 ARG HA H 76 4.220 4.698 -0.478 1
1 519 . 20 1 1 A 46 46 ARG C C 76 173.500 177.680 -4.180 1
1 520 . 20 1 1 A 46 46 ARG CA C 76 53.900 57.026 -3.126 1
1 521 . 20 1 1 A 46 46 ARG CB C 76 27.800 31.527 -3.727 1
1 524 . 20 1 1 A 46 46 ARG N N 76 120.600 124.946 -4.346 1
1 525 . 20 1 1 A 47 47 LYS H H 77 7.900 8.202 -0.302 1
1 526 . 20 1 1 A 47 47 LYS HA H 77 4.320 4.199 0.121 1
1 533 . 20 1 1 A 47 47 LYS C C 77 173.600 176.831 -3.231 1
1 534 . 20 1 1 A 47 47 LYS CA C 77 53.400 58.926 -5.526 1
1 535 . 20 1 1 A 47 47 LYS CB C 77 30.500 32.254 -1.754 1
1 539 . 20 1 1 A 47 47 LYS N N 77 119.100 119.008 0.092 1
1 540 . 20 1 1 A 48 48 THR H H 78 7.840 7.527 0.313 1
1 541 . 20 1 1 A 48 48 THR HA H 78 4.390 4.514 -0.124 1
1 546 . 20 1 1 A 48 48 THR C C 78 174.000 173.704 0.296 1
1 547 . 20 1 1 A 48 48 THR CA C 78 59.500 60.312 -0.812 1
1 548 . 20 1 1 A 48 48 THR CB C 78 66.600 68.885 -2.285 1
1 550 . 20 1 1 A 48 48 THR N N 78 116.200 112.492 3.708 1
1 551 . 20 1 1 A 49 49 PRO HA H 79 4.410 4.611 -0.201 1
1 557 . 20 1 1 A 49 49 PRO CA C 79 60.800 63.108 -2.308 1
1 558 . 20 1 1 A 49 49 PRO CB C 79 28.900 31.889 -2.989 1
1 561 . 20 1 1 A 50 50 ILE H H 80 7.850 8.502 -0.652 1
1 562 . 20 1 1 A 50 50 ILE HA H 80 3.880 3.754 0.126 1
1 572 . 20 1 1 A 50 50 ILE C C 80 173.500 177.608 -4.108 1
1 573 . 20 1 1 A 50 50 ILE CA C 80 59.800 64.199 -4.399 1
1 574 . 20 1 1 A 50 50 ILE CB C 80 35.600 37.753 -2.153 1
1 578 . 20 1 1 A 50 50 ILE N N 80 119.400 123.903 -4.503 1
1 579 . 20 1 1 A 51 51 PHE H H 81 7.730 8.444 -0.714 1
1 580 . 20 1 1 A 51 51 PHE HA H 81 4.500 4.074 0.426 1
1 585 . 20 1 1 A 51 51 PHE CA C 81 56.200 61.566 -5.366 1
1 586 . 20 1 1 A 51 51 PHE CB C 81 36.500 39.164 -2.664 1
1 590 . 20 1 1 A 51 51 PHE N N 81 118.900 123.592 -4.692 1
1 591 . 20 1 1 A 52 52 ILE H H 82 7.420 8.089 -0.669 1
1 592 . 20 1 1 A 52 52 ILE HA H 82 3.880 3.527 0.353 1
1 602 . 20 1 1 A 52 52 ILE C C 82 173.800 177.888 -4.088 1
1 603 . 20 1 1 A 52 52 ILE CA C 82 59.700 64.693 -4.993 1
1 604 . 20 1 1 A 52 52 ILE CB C 82 35.400 38.017 -2.617 1
1 608 . 20 1 1 A 52 52 ILE N N 82 118.000 120.269 -2.269 1
1 609 . 20 1 1 A 53 53 ILE H H 83 7.540 7.833 -0.293 1
1 610 . 20 1 1 A 53 53 ILE HA H 83 3.890 3.265 0.625 1
1 620 . 20 1 1 A 53 53 ILE C C 83 174.300 178.044 -3.744 1
1 621 . 20 1 1 A 53 53 ILE CA C 83 59.800 64.966 -5.166 1
1 622 . 20 1 1 A 53 53 ILE CB C 83 35.600 37.237 -1.637 1
1 626 . 20 1 1 A 53 53 ILE N N 83 119.300 119.866 -0.566 1
1 627 . 20 1 1 A 54 54 ASN H H 84 8.030 8.534 -0.504 1
1 628 . 20 1 1 A 54 54 ASN HA H 84 4.620 4.248 0.372 1
1 631 . 20 1 1 A 54 54 ASN CA C 84 51.500 56.822 -5.322 1
1 632 . 20 1 1 A 54 54 ASN CB C 84 36.500 39.555 -3.055 1
1 633 . 20 1 1 A 54 54 ASN N N 84 118.300 119.282 -0.982 1
1 634 . 20 1 1 A 55 55 GLN H H 85 8.040 7.863 0.177 1
1 635 . 20 1 1 A 55 55 GLN HA H 85 4.210 3.814 0.396 1
1 639 . 20 1 1 A 55 55 GLN CA C 85 54.400 58.931 -4.531 1
1 640 . 20 1 1 A 55 55 GLN CB C 85 25.600 28.182 -2.582 1
1 642 . 20 1 1 A 56 56 VAL H H 86 7.720 8.327 -0.607 1
1 643 . 20 1 1 A 56 56 VAL HA H 86 3.800 3.603 0.197 1
1 651 . 20 1 1 A 56 56 VAL C C 86 174.200 177.908 -3.708 1
1 652 . 20 1 1 A 56 56 VAL CA C 86 62.700 66.993 -4.293 1
1 653 . 20 1 1 A 56 56 VAL CB C 86 29.100 31.426 -2.326 1
1 656 . 20 1 1 A 56 56 VAL N N 86 118.700 120.535 -1.835 1
1 657 . 20 1 1 A 57 57 SER H H 87 8.080 8.057 0.023 1
1 658 . 20 1 1 A 57 57 SER HA H 87 4.200 4.124 0.076 1
1 660 . 20 1 1 A 57 57 SER C C 87 173.800 177.387 -3.587 1
1 661 . 20 1 1 A 57 57 SER CA C 87 58.400 61.727 -3.327 1
1 662 . 20 1 1 A 57 57 SER CB C 87 60.000 63.223 -3.223 1
1 663 . 20 1 1 A 57 57 SER N N 87 115.300 114.893 0.407 1
1 664 . 20 1 1 A 58 58 LEU H H 88 7.780 8.443 -0.663 1
1 665 . 20 1 1 A 58 58 LEU HA H 88 4.060 3.914 0.146 1
1 675 . 20 1 1 A 58 58 LEU CA C 88 55.300 58.023 -2.723 1
1 676 . 20 1 1 A 58 58 LEU CB C 88 39.200 41.827 -2.627 1
1 680 . 20 1 1 A 58 58 LEU N N 88 121.900 121.974 -0.074 1
1 681 . 20 1 1 A 59 59 PHE H H 89 7.980 8.737 -0.757 1
1 682 . 20 1 1 A 59 59 PHE HA H 89 4.190 4.058 0.132 1
1 687 . 20 1 1 A 59 59 PHE C C 89 174.600 176.760 -2.160 1
1 688 . 20 1 1 A 59 59 PHE CA C 89 58.300 61.452 -3.152 1
1 689 . 20 1 1 A 59 59 PHE CB C 89 35.900 39.002 -3.102 1
1 693 . 20 1 1 A 59 59 PHE N N 89 117.100 119.244 -2.144 1
1 694 . 20 1 1 A 60 60 LEU H H 90 8.010 8.269 -0.259 1
1 695 . 20 1 1 A 60 60 LEU HA H 90 3.870 3.493 0.377 1
1 705 . 20 1 1 A 60 60 LEU C C 90 176.800 179.108 -2.308 1
1 706 . 20 1 1 A 60 60 LEU CA C 90 55.400 58.242 -2.842 1
1 707 . 20 1 1 A 60 60 LEU CB C 90 38.900 41.934 -3.034 1
1 711 . 20 1 1 A 60 60 LEU N N 90 117.700 119.481 -1.781 1
1 712 . 20 1 1 A 61 61 ILE H H 91 7.910 7.933 -0.023 1
1 713 . 20 1 1 A 61 61 ILE HA H 91 3.790 3.550 0.240 1
1 723 . 20 1 1 A 61 61 ILE CA C 91 62.500 65.423 -2.923 1
1 724 . 20 1 1 A 61 61 ILE CB C 91 35.400 37.874 -2.474 1
1 728 . 20 1 1 A 61 61 ILE N N 91 118.400 118.365 0.035 1
1 729 . 20 1 1 A 62 62 ILE H H 92 7.930 8.516 -0.586 1
1 730 . 20 1 1 A 62 62 ILE HA H 92 3.620 3.519 0.101 1
1 740 . 20 1 1 A 62 62 ILE C C 92 175.000 177.967 -2.967 1
1 741 . 20 1 1 A 62 62 ILE CA C 92 62.800 65.524 -2.724 1
1 742 . 20 1 1 A 62 62 ILE CB C 92 34.600 37.951 -3.351 1
1 746 . 20 1 1 A 62 62 ILE N N 92 121.800 119.904 1.896 1
1 747 . 20 1 1 A 63 63 LEU H H 93 8.250 8.315 -0.065 1
1 748 . 20 1 1 A 63 63 LEU HA H 93 3.880 3.912 -0.032 1
1 758 . 20 1 1 A 63 63 LEU C C 93 175.900 178.851 -2.951 1
1 759 . 20 1 1 A 63 63 LEU CA C 93 55.800 58.499 -2.699 1
1 760 . 20 1 1 A 63 63 LEU CB C 93 39.100 41.813 -2.713 1
1 764 . 20 1 1 A 63 63 LEU N N 93 119.800 121.504 -1.704 1
1 765 . 20 1 1 A 64 64 HIS H H 94 8.330 8.442 -0.112 1
1 766 . 20 1 1 A 64 64 HIS HA H 94 4.290 4.052 0.238 1
1 770 . 20 1 1 A 64 64 HIS C C 94 175.200 176.830 -1.630 1
1 771 . 20 1 1 A 64 64 HIS CA C 94 56.000 60.034 -4.034 1
1 772 . 20 1 1 A 64 64 HIS CB C 94 25.900 29.370 -3.470 1
1 775 . 20 1 1 A 64 64 HIS N N 94 114.700 118.929 -4.229 1
1 776 . 20 1 1 A 65 65 SER H H 95 8.150 8.517 -0.367 1
1 777 . 20 1 1 A 65 65 SER HA H 95 4.250 3.806 0.444 1
1 779 . 20 1 1 A 65 65 SER C C 95 172.500 176.669 -4.169 1
1 780 . 20 1 1 A 65 65 SER CA C 95 59.900 61.930 -2.030 1
1 781 . 20 1 1 A 65 65 SER CB C 95 60.500 62.670 -2.170 1
1 782 . 20 1 1 A 65 65 SER N N 95 116.200 115.260 0.940 1
1 783 . 20 1 1 A 66 66 ALA H H 96 8.220 8.164 0.056 1
1 784 . 20 1 1 A 66 66 ALA HA H 96 4.080 4.300 -0.220 1
1 788 . 20 1 1 A 66 66 ALA C C 96 176.400 179.533 -3.133 1
1 789 . 20 1 1 A 66 66 ALA CA C 96 52.600 55.139 -2.539 1
1 790 . 20 1 1 A 66 66 ALA CB C 96 15.600 18.536 -2.936 1
1 791 . 20 1 1 A 66 66 ALA N N 96 123.500 123.825 -0.325 1
1 792 . 20 1 1 A 67 67 LEU H H 97 7.870 8.463 -0.593 1
1 793 . 20 1 1 A 67 67 LEU HA H 97 3.980 4.175 -0.195 1
1 803 . 20 1 1 A 67 67 LEU C C 97 176.700 178.478 -1.778 1
1 804 . 20 1 1 A 67 67 LEU CA C 97 55.000 57.974 -2.974 1
1 805 . 20 1 1 A 67 67 LEU CB C 97 38.700 41.524 -2.824 1
1 809 . 20 1 1 A 67 67 LEU N N 97 115.800 119.901 -4.101 1
1 810 . 20 1 1 A 68 68 TYR H H 98 7.830 8.805 -0.975 1
1 811 . 20 1 1 A 68 68 TYR HA H 98 4.320 4.234 0.086 1
1 816 . 20 1 1 A 68 68 TYR C C 98 174.900 177.647 -2.747 1
1 817 . 20 1 1 A 68 68 TYR CA C 98 58.200 61.757 -3.557 1
1 818 . 20 1 1 A 68 68 TYR CB C 98 35.500 38.490 -2.990 1
1 821 . 20 1 1 A 68 68 TYR N N 98 120.300 120.265 0.035 1
1 822 . 20 1 1 A 69 69 PHE H H 99 8.110 8.191 -0.081 1
1 823 . 20 1 1 A 69 69 PHE HA H 99 4.200 4.167 0.033 1
1 828 . 20 1 1 A 69 69 PHE C C 99 173.600 177.477 -3.877 1
1 829 . 20 1 1 A 69 69 PHE CA C 99 58.400 61.546 -3.146 1
1 830 . 20 1 1 A 69 69 PHE CB C 99 36.100 39.493 -3.393 1
1 834 . 20 1 1 A 69 69 PHE N N 99 117.600 121.147 -3.547 1
1 835 . 20 1 1 A 70 70 LYS H H 100 8.030 7.955 0.075 1
1 836 . 20 1 1 A 70 70 LYS HA H 100 3.800 3.719 0.081 1
1 843 . 20 1 1 A 70 70 LYS C C 100 175.700 178.665 -2.965 1
1 844 . 20 1 1 A 70 70 LYS CA C 100 57.300 59.356 -2.056 1
1 845 . 20 1 1 A 70 70 LYS CB C 100 29.500 32.353 -2.853 1
1 849 . 20 1 1 A 70 70 LYS N N 100 118.300 117.962 0.338 1
1 850 . 20 1 1 A 71 71 TYR H H 101 7.720 8.044 -0.324 1
1 851 . 20 1 1 A 71 71 TYR HA H 101 4.210 4.062 0.148 1
1 856 . 20 1 1 A 71 71 TYR C C 101 175.300 177.332 -2.032 1
1 857 . 20 1 1 A 71 71 TYR CA C 101 57.800 61.396 -3.596 1
1 858 . 20 1 1 A 71 71 TYR CB C 101 34.700 38.647 -3.947 1
1 861 . 20 1 1 A 71 71 TYR N N 101 119.600 120.992 -1.392 1
1 862 . 20 1 1 A 72 72 LEU H H 102 7.950 8.211 -0.261 1
1 863 . 20 1 1 A 72 72 LEU HA H 102 3.800 3.659 0.141 1
1 870 . 20 1 1 A 72 72 LEU C C 102 176.300 179.223 -2.923 1
1 871 . 20 1 1 A 72 72 LEU CA C 102 55.100 58.071 -2.971 1
1 872 . 20 1 1 A 72 72 LEU CB C 102 39.500 41.774 -2.274 1
1 876 . 20 1 1 A 72 72 LEU N N 102 121.000 120.674 0.326 1
1 877 . 20 1 1 A 73 73 LEU H H 103 7.870 8.105 -0.235 1
1 878 . 20 1 1 A 73 73 LEU HA H 103 4.030 4.144 -0.114 1
1 888 . 20 1 1 A 73 73 LEU C C 103 176.200 178.412 -2.212 1
1 889 . 20 1 1 A 73 73 LEU CA C 103 54.500 57.910 -3.410 1
1 890 . 20 1 1 A 73 73 LEU CB C 103 39.200 41.035 -1.835 1
1 894 . 20 1 1 A 73 73 LEU N N 103 116.900 117.786 -0.886 1
1 895 . 20 1 1 A 74 74 SER H H 104 7.780 8.384 -0.604 1
1 896 . 20 1 1 A 74 74 SER HA H 104 4.230 4.099 0.131 1
1 898 . 20 1 1 A 74 74 SER C C 104 172.800 176.651 -3.851 1
1 899 . 20 1 1 A 74 74 SER CA C 104 57.900 61.280 -3.380 1
1 900 . 20 1 1 A 74 74 SER CB C 104 60.800 62.363 -1.563 1
1 901 . 20 1 1 A 74 74 SER N N 104 113.200 114.249 -1.049 1
1 902 . 20 1 1 A 75 75 ASN H H 105 7.720 7.437 0.283 1
1 903 . 20 1 1 A 75 75 ASN HA H 105 4.530 4.339 0.191 1
1 906 . 20 1 1 A 75 75 ASN C C 105 173.100 176.891 -3.791 1
1 907 . 20 1 1 A 75 75 ASN CA C 105 51.800 55.920 -4.120 1
1 908 . 20 1 1 A 75 75 ASN CB C 105 36.600 38.121 -1.521 1
1 909 . 20 1 1 A 75 75 ASN N N 105 118.400 120.374 -1.974 1
1 910 . 20 1 1 A 76 76 TYR H H 106 7.720 7.484 0.236 1
1 911 . 20 1 1 A 76 76 TYR HA H 106 4.380 4.427 -0.047 1
1 916 . 20 1 1 A 76 76 TYR C C 106 173.000 176.370 -3.370 1
1 917 . 20 1 1 A 76 76 TYR CA C 106 56.700 59.300 -2.600 1
1 918 . 20 1 1 A 76 76 TYR CB C 106 36.100 38.420 -2.320 1
1 921 . 20 1 1 A 76 76 TYR N N 106 118.900 118.333 0.567 1
1 922 . 20 1 1 A 77 77 SER H H 107 7.650 7.740 -0.090 1
1 923 . 20 1 1 A 77 77 SER HA H 107 4.330 4.654 -0.324 1
1 926 . 20 1 1 A 77 77 SER C C 107 171.800 172.510 -0.710 1
1 927 . 20 1 1 A 77 77 SER CA C 107 55.800 57.479 -1.679 1
1 928 . 20 1 1 A 77 77 SER CB C 107 61.400 65.821 -4.421 1
1 929 . 20 1 1 A 77 77 SER N N 107 114.300 110.448 3.852 1
1 930 . 20 1 1 A 78 78 SER H H 108 7.940 8.769 -0.829 1
1 931 . 20 1 1 A 78 78 SER HA H 108 4.440 4.740 -0.300 1
1 933 . 20 1 1 A 78 78 SER C C 108 171.900 173.818 -1.918 1
1 934 . 20 1 1 A 78 78 SER CA C 108 55.800 57.752 -1.952 1
1 935 . 20 1 1 A 78 78 SER CB C 108 61.200 63.536 -2.336 1
1 936 . 20 1 1 A 78 78 SER N N 108 116.600 121.445 -4.845 1
1 937 . 20 1 1 A 79 79 VAL H H 109 7.850 8.704 -0.854 1
1 938 . 20 1 1 A 79 79 VAL HA H 109 4.170 4.465 -0.295 1
1 943 . 20 1 1 A 79 79 VAL C C 109 172.900 175.271 -2.371 1
1 944 . 20 1 1 A 79 79 VAL CA C 109 59.900 61.733 -1.833 1
1 945 . 20 1 1 A 79 79 VAL CB C 109 29.900 33.365 -3.465 1
1 948 . 20 1 1 A 79 79 VAL N N 109 120.200 127.373 -7.173 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 69 2.945 1
2 1 1 1 "RMS(OBS, PRED)" CA 78 2.981 1
3 1 1 1 "RMS(OBS, PRED)" CB 74 2.813 1
4 1 1 1 "RMS(OBS, PRED)" H 76 0.450 1
5 1 1 1 "RMS(OBS, PRED)" HA 82 0.248 1
6 1 1 1 "RMS(OBS, PRED)" N 74 2.209 1
7 1 2 1 "RMS(OBS, PRED)" C 69 2.964 1
8 1 2 1 "RMS(OBS, PRED)" CA 78 2.987 1
9 1 2 1 "RMS(OBS, PRED)" CB 74 2.806 1
10 1 2 1 "RMS(OBS, PRED)" H 76 0.448 1
11 1 2 1 "RMS(OBS, PRED)" HA 82 0.238 1
12 1 2 1 "RMS(OBS, PRED)" N 74 2.243 1
13 1 3 1 "RMS(OBS, PRED)" C 69 2.985 1
14 1 3 1 "RMS(OBS, PRED)" CA 78 3.061 1
15 1 3 1 "RMS(OBS, PRED)" CB 74 2.775 1
16 1 3 1 "RMS(OBS, PRED)" H 76 0.491 1
17 1 3 1 "RMS(OBS, PRED)" HA 82 0.214 1
18 1 3 1 "RMS(OBS, PRED)" N 74 2.415 1
19 1 4 1 "RMS(OBS, PRED)" C 69 3.025 1
20 1 4 1 "RMS(OBS, PRED)" CA 78 3.034 1
21 1 4 1 "RMS(OBS, PRED)" CB 74 2.876 1
22 1 4 1 "RMS(OBS, PRED)" H 76 0.450 1
23 1 4 1 "RMS(OBS, PRED)" HA 82 0.266 1
24 1 4 1 "RMS(OBS, PRED)" N 74 2.021 1
25 1 5 1 "RMS(OBS, PRED)" C 69 3.076 1
26 1 5 1 "RMS(OBS, PRED)" CA 78 3.013 1
27 1 5 1 "RMS(OBS, PRED)" CB 74 2.759 1
28 1 5 1 "RMS(OBS, PRED)" H 76 0.481 1
29 1 5 1 "RMS(OBS, PRED)" HA 82 0.245 1
30 1 5 1 "RMS(OBS, PRED)" N 74 2.500 1
31 1 6 1 "RMS(OBS, PRED)" C 69 2.967 1
32 1 6 1 "RMS(OBS, PRED)" CA 78 3.030 1
33 1 6 1 "RMS(OBS, PRED)" CB 74 2.843 1
34 1 6 1 "RMS(OBS, PRED)" H 76 0.467 1
35 1 6 1 "RMS(OBS, PRED)" HA 82 0.253 1
36 1 6 1 "RMS(OBS, PRED)" N 74 2.226 1
37 1 7 1 "RMS(OBS, PRED)" C 69 3.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 78 3.010 1
39 1 7 1 "RMS(OBS, PRED)" CB 74 2.825 1
40 1 7 1 "RMS(OBS, PRED)" H 76 0.455 1
41 1 7 1 "RMS(OBS, PRED)" HA 82 0.264 1
42 1 7 1 "RMS(OBS, PRED)" N 74 2.190 1
43 1 8 1 "RMS(OBS, PRED)" C 69 2.982 1
44 1 8 1 "RMS(OBS, PRED)" CA 78 2.947 1
45 1 8 1 "RMS(OBS, PRED)" CB 74 2.836 1
46 1 8 1 "RMS(OBS, PRED)" H 76 0.467 1
47 1 8 1 "RMS(OBS, PRED)" HA 82 0.235 1
48 1 8 1 "RMS(OBS, PRED)" N 74 2.259 1
49 1 9 1 "RMS(OBS, PRED)" C 69 3.022 1
50 1 9 1 "RMS(OBS, PRED)" CA 78 3.077 1
51 1 9 1 "RMS(OBS, PRED)" CB 74 2.883 1
52 1 9 1 "RMS(OBS, PRED)" H 76 0.433 1
53 1 9 1 "RMS(OBS, PRED)" HA 82 0.218 1
54 1 9 1 "RMS(OBS, PRED)" N 74 2.188 1
55 1 10 1 "RMS(OBS, PRED)" C 69 3.015 1
56 1 10 1 "RMS(OBS, PRED)" CA 78 2.857 1
57 1 10 1 "RMS(OBS, PRED)" CB 74 2.835 1
58 1 10 1 "RMS(OBS, PRED)" H 76 0.466 1
59 1 10 1 "RMS(OBS, PRED)" HA 82 0.214 1
60 1 10 1 "RMS(OBS, PRED)" N 74 2.435 1
61 1 11 1 "RMS(OBS, PRED)" C 69 2.969 1
62 1 11 1 "RMS(OBS, PRED)" CA 78 3.008 1
63 1 11 1 "RMS(OBS, PRED)" CB 74 2.876 1
64 1 11 1 "RMS(OBS, PRED)" H 76 0.465 1
65 1 11 1 "RMS(OBS, PRED)" HA 82 0.217 1
66 1 11 1 "RMS(OBS, PRED)" N 74 2.235 1
67 1 12 1 "RMS(OBS, PRED)" C 69 2.893 1
68 1 12 1 "RMS(OBS, PRED)" CA 78 3.006 1
69 1 12 1 "RMS(OBS, PRED)" CB 74 2.844 1
70 1 12 1 "RMS(OBS, PRED)" H 76 0.448 1
71 1 12 1 "RMS(OBS, PRED)" HA 82 0.216 1
72 1 12 1 "RMS(OBS, PRED)" N 74 2.015 1
73 1 13 1 "RMS(OBS, PRED)" C 69 2.948 1
74 1 13 1 "RMS(OBS, PRED)" CA 78 3.051 1
75 1 13 1 "RMS(OBS, PRED)" CB 74 2.917 1
76 1 13 1 "RMS(OBS, PRED)" H 76 0.476 1
77 1 13 1 "RMS(OBS, PRED)" HA 82 0.280 1
78 1 13 1 "RMS(OBS, PRED)" N 74 2.403 1
79 1 14 1 "RMS(OBS, PRED)" C 69 2.948 1
80 1 14 1 "RMS(OBS, PRED)" CA 78 2.957 1
81 1 14 1 "RMS(OBS, PRED)" CB 74 2.824 1
82 1 14 1 "RMS(OBS, PRED)" H 76 0.438 1
83 1 14 1 "RMS(OBS, PRED)" HA 82 0.211 1
84 1 14 1 "RMS(OBS, PRED)" N 74 2.365 1
85 1 15 1 "RMS(OBS, PRED)" C 69 2.904 1
86 1 15 1 "RMS(OBS, PRED)" CA 78 3.049 1
87 1 15 1 "RMS(OBS, PRED)" CB 74 2.882 1
88 1 15 1 "RMS(OBS, PRED)" H 76 0.488 1
89 1 15 1 "RMS(OBS, PRED)" HA 82 0.240 1
90 1 15 1 "RMS(OBS, PRED)" N 74 2.299 1
91 1 16 1 "RMS(OBS, PRED)" C 69 2.912 1
92 1 16 1 "RMS(OBS, PRED)" CA 78 3.013 1
93 1 16 1 "RMS(OBS, PRED)" CB 74 2.798 1
94 1 16 1 "RMS(OBS, PRED)" H 76 0.460 1
95 1 16 1 "RMS(OBS, PRED)" HA 82 0.226 1
96 1 16 1 "RMS(OBS, PRED)" N 74 2.463 1
97 1 17 1 "RMS(OBS, PRED)" C 69 2.959 1
98 1 17 1 "RMS(OBS, PRED)" CA 78 3.015 1
99 1 17 1 "RMS(OBS, PRED)" CB 74 2.890 1
100 1 17 1 "RMS(OBS, PRED)" H 76 0.470 1
101 1 17 1 "RMS(OBS, PRED)" HA 82 0.220 1
102 1 17 1 "RMS(OBS, PRED)" N 74 2.457 1
103 1 18 1 "RMS(OBS, PRED)" C 69 3.003 1
104 1 18 1 "RMS(OBS, PRED)" CA 78 3.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 74 2.949 1
106 1 18 1 "RMS(OBS, PRED)" H 76 0.459 1
107 1 18 1 "RMS(OBS, PRED)" HA 82 0.283 1
108 1 18 1 "RMS(OBS, PRED)" N 74 2.210 1
109 1 19 1 "RMS(OBS, PRED)" C 69 2.965 1
110 1 19 1 "RMS(OBS, PRED)" CA 78 3.004 1
111 1 19 1 "RMS(OBS, PRED)" CB 74 2.789 1
112 1 19 1 "RMS(OBS, PRED)" H 76 0.486 1
113 1 19 1 "RMS(OBS, PRED)" HA 82 0.261 1
114 1 19 1 "RMS(OBS, PRED)" N 74 2.423 1
115 1 20 1 "RMS(OBS, PRED)" C 69 2.969 1
116 1 20 1 "RMS(OBS, PRED)" CA 78 3.045 1
117 1 20 1 "RMS(OBS, PRED)" CB 74 2.727 1
118 1 20 1 "RMS(OBS, PRED)" H 76 0.440 1
119 1 20 1 "RMS(OBS, PRED)" HA 82 0.218 1
120 1 20 1 "RMS(OBS, PRED)" N 74 2.422 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 3 . 1 1 A 2 2 ASN HA H 32 4.710 5.126 -0.416 2
1 6 . 1 1 A 2 2 ASN CA C 32 50.800 52.714 -1.914 2
1 7 . 1 1 A 2 2 ASN CB C 32 36.400 41.083 -4.683 2
1 8 . 1 1 A 3 3 GLY H H 33 8.470 8.400 0.070 2
1 9 . 1 1 A 3 3 GLY HA2 H 33 3.890 4.098 -0.208 2
1 10 . 1 1 A 3 3 GLY HA3 H 33 3.990 4.100 -0.110 2
1 11 . 1 1 A 3 3 GLY C C 33 171.500 172.702 -1.202 2
1 12 . 1 1 A 3 3 GLY CA C 33 42.900 44.959 -2.059 2
1 13 . 1 1 A 3 3 GLY N N 33 109.300 109.108 0.192 2
1 14 . 1 1 A 4 4 SER H H 34 8.020 8.482 -0.462 2
1 15 . 1 1 A 4 4 SER HA H 34 4.480 4.933 -0.453 2
1 17 . 1 1 A 4 4 SER C C 34 171.700 173.558 -1.858 2
1 18 . 1 1 A 4 4 SER CA C 34 55.600 57.180 -1.580 2
1 19 . 1 1 A 4 4 SER CB C 34 61.400 64.752 -3.352 2
1 20 . 1 1 A 4 4 SER N N 34 115.200 115.007 0.193 2
1 21 . 1 1 A 5 5 THR H H 35 8.030 8.882 -0.852 2
1 22 . 1 1 A 5 5 THR HA H 35 4.300 4.347 -0.047 2
1 27 . 1 1 A 5 5 THR C C 35 171.400 173.884 -2.484 2
1 28 . 1 1 A 5 5 THR CA C 35 59.500 61.759 -2.259 2
1 29 . 1 1 A 5 5 THR CB C 35 67.200 68.903 -1.703 2
1 31 . 1 1 A 5 5 THR N N 35 115.600 120.013 -4.413 2
1 32 . 1 1 A 6 6 ILE H H 36 7.850 7.571 0.279 2
1 33 . 1 1 A 6 6 ILE HA H 36 4.260 4.218 0.042 2
1 43 . 1 1 A 6 6 ILE C C 36 171.900 176.003 -4.103 2
1 44 . 1 1 A 6 6 ILE CA C 36 58.200 60.696 -2.496 2
1 45 . 1 1 A 6 6 ILE CB C 36 36.500 39.107 -2.607 2
1 49 . 1 1 A 6 6 ILE N N 36 122.000 122.700 -0.700 2
1 50 . 1 1 A 7 7 THR H H 37 7.680 8.236 -0.556 2
1 51 . 1 1 A 7 7 THR HA H 37 4.570 4.358 0.212 2
1 56 . 1 1 A 7 7 THR C C 37 172.800 176.050 -3.250 2
1 57 . 1 1 A 7 7 THR CA C 37 57.400 61.414 -4.014 2
1 58 . 1 1 A 7 7 THR CB C 37 68.700 70.496 -1.796 2
1 60 . 1 1 A 7 7 THR N N 37 114.700 118.008 -3.308 2
1 61 . 1 1 A 8 8 PHE H H 38 8.830 8.803 0.027 2
1 62 . 1 1 A 8 8 PHE HA H 38 4.250 4.325 -0.075 2
1 67 . 1 1 A 8 8 PHE C C 38 174.700 177.549 -2.849 2
1 68 . 1 1 A 8 8 PHE CA C 38 58.400 61.109 -2.709 2
1 69 . 1 1 A 8 8 PHE CB C 38 36.000 38.257 -2.257 2
1 73 . 1 1 A 8 8 PHE N N 38 120.900 122.217 -1.317 2
1 74 . 1 1 A 9 9 ASP H H 39 8.400 8.300 0.100 2
1 75 . 1 1 A 9 9 ASP HA H 39 4.280 4.295 -0.015 2
1 77 . 1 1 A 9 9 ASP C C 39 176.100 178.611 -2.511 2
1 78 . 1 1 A 9 9 ASP CA C 39 54.500 57.433 -2.933 2
1 79 . 1 1 A 9 9 ASP CB C 39 37.800 40.824 -3.024 2
1 80 . 1 1 A 9 9 ASP N N 39 117.400 121.037 -3.637 2
1 81 . 1 1 A 10 10 GLU H H 40 7.740 7.995 -0.255 2
1 82 . 1 1 A 10 10 GLU HA H 40 4.090 4.063 0.027 2
1 86 . 1 1 A 10 10 GLU C C 40 176.100 179.311 -3.211 2
1 87 . 1 1 A 10 10 GLU CA C 40 55.700 59.168 -3.468 2
1 88 . 1 1 A 10 10 GLU CB C 40 26.800 29.394 -2.594 2
1 90 . 1 1 A 10 10 GLU N N 40 118.800 118.469 0.331 2
1 91 . 1 1 A 11 11 LEU H H 41 7.770 8.223 -0.453 2
1 92 . 1 1 A 11 11 LEU HA H 41 4.040 3.955 0.085 2
1 102 . 1 1 A 11 11 LEU C C 41 175.500 179.150 -3.650 2
1 103 . 1 1 A 11 11 LEU CA C 41 54.600 57.986 -3.386 2
1 104 . 1 1 A 11 11 LEU CB C 41 39.200 41.420 -2.220 2
1 108 . 1 1 A 11 11 LEU N N 41 119.500 120.716 -1.216 2
1 109 . 1 1 A 12 12 GLN H H 42 8.070 8.537 -0.467 2
1 110 . 1 1 A 12 12 GLN HA H 42 3.770 4.060 -0.290 2
1 114 . 1 1 A 12 12 GLN C C 42 175.400 179.459 -4.059 2
1 115 . 1 1 A 12 12 GLN CA C 42 56.500 58.910 -2.410 2
1 116 . 1 1 A 12 12 GLN CB C 42 25.800 28.434 -2.634 2
1 118 . 1 1 A 12 12 GLN N N 42 116.800 117.022 -0.222 2
1 119 . 1 1 A 13 13 GLY H H 43 7.810 8.418 -0.608 2
1 120 . 1 1 A 13 13 GLY HA2 H 43 3.850 3.671 0.179 2
1 121 . 1 1 A 13 13 GLY HA3 H 43 3.910 3.673 0.237 2
1 122 . 1 1 A 13 13 GLY C C 43 173.000 176.128 -3.128 2
1 123 . 1 1 A 13 13 GLY CA C 43 43.800 47.292 -3.492 2
1 124 . 1 1 A 13 13 GLY N N 43 105.400 109.131 -3.731 2
1 125 . 1 1 A 14 14 LEU H H 44 7.650 8.336 -0.686 2
1 126 . 1 1 A 14 14 LEU HA H 44 4.210 4.015 0.195 2
1 136 . 1 1 A 14 14 LEU C C 44 176.000 178.827 -2.827 2
1 137 . 1 1 A 14 14 LEU CA C 44 54.200 58.189 -3.989 2
1 138 . 1 1 A 14 14 LEU CB C 44 40.000 41.717 -1.717 2
1 142 . 1 1 A 14 14 LEU N N 44 120.900 122.550 -1.650 2
1 143 . 1 1 A 15 15 VAL H H 45 7.760 8.088 -0.328 2
1 144 . 1 1 A 15 15 VAL HA H 45 3.740 3.820 -0.080 2
1 152 . 1 1 A 15 15 VAL C C 45 173.100 177.505 -4.405 2
1 153 . 1 1 A 15 15 VAL CA C 45 61.800 65.427 -3.627 2
1 154 . 1 1 A 15 15 VAL CB C 45 29.100 31.422 -2.322 2
1 157 . 1 1 A 15 15 VAL N N 45 117.200 118.143 -0.943 2
1 158 . 1 1 A 16 16 ASN H H 46 7.820 8.074 -0.254 2
1 159 . 1 1 A 16 16 ASN HA H 46 4.600 4.590 0.010 2
1 161 . 1 1 A 16 16 ASN CA C 46 51.400 55.586 -4.186 2
1 162 . 1 1 A 16 16 ASN CB C 46 36.000 39.046 -3.046 2
1 163 . 1 1 A 16 16 ASN N N 46 118.400 119.880 -1.480 2
1 164 . 1 1 A 17 17 SER H H 47 8.160 7.653 0.507 2
1 165 . 1 1 A 17 17 SER HA H 47 4.380 4.719 -0.339 2
1 168 . 1 1 A 17 17 SER CA C 47 57.900 57.650 0.250 2
1 169 . 1 1 A 17 17 SER CB C 47 61.000 63.854 -2.854 2
1 170 . 1 1 A 18 18 THR H H 48 8.130 7.942 0.188 2
1 171 . 1 1 A 18 18 THR HA H 48 3.990 4.472 -0.482 2
1 176 . 1 1 A 18 18 THR C C 48 173.800 175.342 -1.542 2
1 177 . 1 1 A 18 18 THR CA C 48 63.500 64.244 -0.744 2
1 178 . 1 1 A 18 18 THR CB C 48 66.000 70.095 -4.095 2
1 180 . 1 1 A 18 18 THR N N 48 118.300 116.045 2.255 2
1 181 . 1 1 A 19 19 VAL H H 49 8.100 8.452 -0.352 2
1 182 . 1 1 A 19 19 VAL HA H 49 3.640 3.728 -0.088 2
1 190 . 1 1 A 19 19 VAL C C 49 174.700 177.974 -3.274 2
1 191 . 1 1 A 19 19 VAL CA C 49 64.000 65.753 -1.753 2
1 192 . 1 1 A 19 19 VAL CB C 49 29.000 31.469 -2.469 2
1 195 . 1 1 A 19 19 VAL N N 49 120.800 121.129 -0.329 2
1 196 . 1 1 A 20 20 THR H H 50 7.830 8.227 -0.397 2
1 197 . 1 1 A 20 20 THR HA H 50 3.740 3.894 -0.154 2
1 202 . 1 1 A 20 20 THR C C 50 173.800 176.865 -3.065 2
1 203 . 1 1 A 20 20 THR CA C 50 64.400 65.405 -1.005 2
1 204 . 1 1 A 20 20 THR CB C 50 65.500 68.780 -3.280 2
1 206 . 1 1 A 20 20 THR N N 50 114.000 115.642 -1.642 2
1 207 . 1 1 A 21 21 GLN H H 51 7.920 7.988 -0.068 2
1 208 . 1 1 A 21 21 GLN HA H 51 3.970 4.086 -0.116 2
1 211 . 1 1 A 21 21 GLN C C 51 175.900 178.186 -2.286 2
1 212 . 1 1 A 21 21 GLN CA C 51 56.300 58.573 -2.273 2
1 213 . 1 1 A 21 21 GLN CB C 51 25.700 28.677 -2.977 2
1 215 . 1 1 A 21 21 GLN N N 51 118.400 120.427 -2.027 2
1 216 . 1 1 A 22 22 ALA H H 52 7.960 7.890 0.070 2
1 217 . 1 1 A 22 22 ALA HA H 52 4.160 4.148 0.012 2
1 221 . 1 1 A 22 22 ALA C C 52 176.800 180.113 -3.313 2
1 222 . 1 1 A 22 22 ALA CA C 52 52.800 55.250 -2.450 2
1 223 . 1 1 A 22 22 ALA CB C 52 15.700 18.247 -2.547 2
1 224 . 1 1 A 22 22 ALA N N 52 122.200 122.265 -0.065 2
1 225 . 1 1 A 23 23 ILE H H 53 8.100 7.865 0.235 2
1 226 . 1 1 A 23 23 ILE HA H 53 3.660 3.704 -0.044 2
1 236 . 1 1 A 23 23 ILE C C 53 175.300 178.331 -3.031 2
1 237 . 1 1 A 23 23 ILE CA C 53 62.700 65.304 -2.604 2
1 238 . 1 1 A 23 23 ILE CB C 53 35.100 38.118 -3.018 2
1 242 . 1 1 A 23 23 ILE N N 53 117.500 118.884 -1.384 2
1 243 . 1 1 A 24 24 LEU H H 54 8.160 7.914 0.246 2
1 244 . 1 1 A 24 24 LEU HA H 54 3.970 3.941 0.029 2
1 254 . 1 1 A 24 24 LEU C C 54 176.600 178.932 -2.332 2
1 255 . 1 1 A 24 24 LEU CA C 54 55.500 58.263 -2.763 2
1 256 . 1 1 A 24 24 LEU CB C 54 38.700 41.760 -3.060 2
1 260 . 1 1 A 24 24 LEU N N 54 118.900 118.906 -0.006 2
1 261 . 1 1 A 25 25 PHE H H 55 8.200 8.789 -0.589 2
1 262 . 1 1 A 25 25 PHE HA H 55 4.240 4.138 0.102 2
1 267 . 1 1 A 25 25 PHE C C 55 176.300 177.894 -1.594 2
1 268 . 1 1 A 25 25 PHE CA C 55 58.500 61.429 -2.929 2
1 269 . 1 1 A 25 25 PHE CB C 55 36.300 39.042 -2.742 2
1 273 . 1 1 A 25 25 PHE N N 55 119.100 118.930 0.170 2
1 274 . 1 1 A 26 26 GLY H H 56 8.570 8.865 -0.295 2
1 275 . 1 1 A 26 26 GLY HA2 H 56 3.580 3.755 -0.175 2
1 276 . 1 1 A 26 26 GLY HA3 H 56 3.670 3.842 -0.172 2
1 277 . 1 1 A 26 26 GLY C C 56 172.200 175.942 -3.742 2
1 278 . 1 1 A 26 26 GLY CA C 56 44.900 47.136 -2.236 2
1 279 . 1 1 A 26 26 GLY N N 56 108.900 106.692 2.208 2
1 280 . 1 1 A 27 27 VAL H H 57 8.550 8.238 0.312 2
1 281 . 1 1 A 27 27 VAL HA H 57 3.640 3.674 -0.034 2
1 289 . 1 1 A 27 27 VAL C C 57 175.000 177.754 -2.754 2
1 290 . 1 1 A 27 27 VAL CA C 57 63.800 65.988 -2.188 2
1 291 . 1 1 A 27 27 VAL CB C 57 29.000 31.595 -2.595 2
1 294 . 1 1 A 27 27 VAL N N 57 120.000 122.167 -2.167 2
1 295 . 1 1 A 28 28 ARG H H 58 8.030 8.147 -0.117 2
1 296 . 1 1 A 28 28 ARG HA H 58 4.020 4.004 0.016 2
1 301 . 1 1 A 28 28 ARG C C 58 176.700 178.522 -1.822 2
1 302 . 1 1 A 28 28 ARG CA C 58 56.700 58.758 -2.058 2
1 303 . 1 1 A 28 28 ARG CB C 58 27.600 30.073 -2.473 2
1 306 . 1 1 A 28 28 ARG N N 58 118.300 120.448 -2.149 2
1 307 . 1 1 A 29 29 SER H H 59 8.020 7.933 0.087 2
1 308 . 1 1 A 29 29 SER HA H 59 4.280 3.953 0.327 2
1 310 . 1 1 A 29 29 SER C C 59 173.300 176.928 -3.627 2
1 311 . 1 1 A 29 29 SER CA C 59 58.200 61.570 -3.370 2
1 312 . 1 1 A 29 29 SER CB C 59 60.700 62.395 -1.695 2
1 313 . 1 1 A 29 29 SER N N 59 114.700 115.791 -1.091 2
1 314 . 1 1 A 30 30 GLY H H 60 8.310 8.404 -0.094 2
1 315 . 1 1 A 30 30 GLY HA2 H 60 3.630 3.625 0.005 2
1 316 . 1 1 A 30 30 GLY HA3 H 60 3.750 3.782 -0.032 2
1 317 . 1 1 A 30 30 GLY C C 60 171.900 175.964 -4.064 2
1 318 . 1 1 A 30 30 GLY CA C 60 44.500 47.258 -2.759 2
1 319 . 1 1 A 30 30 GLY N N 60 109.700 109.705 -0.005 2
1 320 . 1 1 A 31 31 ALA H H 61 8.330 7.987 0.343 2
1 321 . 1 1 A 31 31 ALA HA H 61 3.970 4.071 -0.101 2
1 325 . 1 1 A 31 31 ALA C C 61 177.200 179.682 -2.482 2
1 326 . 1 1 A 31 31 ALA CA C 61 52.900 54.738 -1.838 2
1 327 . 1 1 A 31 31 ALA CB C 61 15.500 18.319 -2.819 2
1 328 . 1 1 A 31 31 ALA N N 61 122.700 124.778 -2.078 2
1 329 . 1 1 A 32 32 ALA H H 62 7.860 8.310 -0.450 2
1 330 . 1 1 A 32 32 ALA HA H 62 4.120 4.012 0.108 2
1 334 . 1 1 A 32 32 ALA C C 62 177.400 179.687 -2.287 2
1 335 . 1 1 A 32 32 ALA CA C 62 52.200 54.946 -2.746 2
1 336 . 1 1 A 32 32 ALA CB C 62 15.600 18.177 -2.576 2
1 337 . 1 1 A 32 32 ALA N N 62 120.400 119.972 0.428 2
1 338 . 1 1 A 33 33 ALA H H 63 7.920 8.215 -0.295 2
1 339 . 1 1 A 33 33 ALA HA H 63 4.070 4.037 0.033 2
1 343 . 1 1 A 33 33 ALA C C 63 176.200 179.655 -3.455 2
1 344 . 1 1 A 33 33 ALA CA C 63 52.100 55.012 -2.912 2
1 345 . 1 1 A 33 33 ALA CB C 63 15.800 18.305 -2.505 2
1 346 . 1 1 A 33 33 ALA N N 63 120.100 120.736 -0.636 2
1 347 . 1 1 A 34 34 LEU H H 64 8.090 8.145 -0.055 2
1 348 . 1 1 A 34 34 LEU HA H 64 3.980 4.100 -0.120 2
1 358 . 1 1 A 34 34 LEU C C 64 175.900 178.761 -2.861 2
1 359 . 1 1 A 34 34 LEU CA C 64 55.500 57.826 -2.326 2
1 360 . 1 1 A 34 34 LEU CB C 64 39.100 41.771 -2.671 2
1 364 . 1 1 A 34 34 LEU N N 64 116.400 120.041 -3.641 2
1 365 . 1 1 A 35 35 THR H H 65 7.860 8.161 -0.301 2
1 366 . 1 1 A 35 35 THR HA H 65 3.770 3.963 -0.193 2
1 371 . 1 1 A 35 35 THR C C 65 173.100 176.625 -3.524 2
1 372 . 1 1 A 35 35 THR CA C 65 64.600 65.285 -0.685 2
1 373 . 1 1 A 35 35 THR CB C 65 66.000 68.830 -2.830 2
1 375 . 1 1 A 35 35 THR N N 65 113.500 114.244 -0.744 2
1 376 . 1 1 A 36 36 LEU H H 66 7.430 7.856 -0.426 2
1 377 . 1 1 A 36 36 LEU HA H 66 4.000 4.094 -0.094 2
1 387 . 1 1 A 36 36 LEU C C 66 176.800 178.745 -1.945 2
1 388 . 1 1 A 36 36 LEU CA C 66 55.500 58.175 -2.675 2
1 389 . 1 1 A 36 36 LEU CB C 66 39.200 41.385 -2.185 2
1 393 . 1 1 A 36 36 LEU N N 66 120.200 120.162 0.038 2
1 394 . 1 1 A 37 37 ILE H H 67 7.750 8.172 -0.422 2
1 395 . 1 1 A 37 37 ILE HA H 67 3.800 3.714 0.086 2
1 405 . 1 1 A 37 37 ILE C C 67 175.000 178.109 -3.109 2
1 406 . 1 1 A 37 37 ILE CA C 67 62.600 65.345 -2.745 2
1 407 . 1 1 A 37 37 ILE CB C 67 35.300 37.847 -2.547 2
1 411 . 1 1 A 37 37 ILE N N 67 119.600 119.800 -0.200 2
1 412 . 1 1 A 38 38 VAL H H 68 8.250 8.030 0.220 2
1 413 . 1 1 A 38 38 VAL HA H 68 3.590 3.744 -0.154 2
1 421 . 1 1 A 38 38 VAL C C 68 176.600 178.091 -1.491 2
1 422 . 1 1 A 38 38 VAL CA C 68 65.000 65.953 -0.953 2
1 423 . 1 1 A 38 38 VAL CB C 68 28.900 31.594 -2.694 2
1 426 . 1 1 A 38 38 VAL N N 68 119.600 118.364 1.236 2
1 427 . 1 1 A 39 39 VAL H H 69 8.370 8.294 0.076 2
1 428 . 1 1 A 39 39 VAL HA H 69 3.620 3.732 -0.112 2
1 436 . 1 1 A 39 39 VAL C C 69 175.800 177.954 -2.154 2
1 437 . 1 1 A 39 39 VAL CA C 69 64.200 65.700 -1.500 2
1 438 . 1 1 A 39 39 VAL CB C 69 28.900 31.469 -2.569 2
1 441 . 1 1 A 39 39 VAL N N 69 121.700 120.917 0.783 2
1 442 . 1 1 A 40 40 TRP H H 70 8.320 8.444 -0.124 2
1 443 . 1 1 A 40 40 TRP HA H 70 4.150 4.314 -0.164 2
1 449 . 1 1 A 40 40 TRP C C 70 176.600 178.500 -1.900 2
1 450 . 1 1 A 40 40 TRP CA C 70 59.700 60.859 -1.159 2
1 451 . 1 1 A 40 40 TRP CB C 70 26.400 29.548 -3.148 2
1 454 . 1 1 A 40 40 TRP N N 70 122.400 121.862 0.538 2
1 456 . 1 1 A 41 41 ILE H H 71 8.780 8.145 0.635 2
1 457 . 1 1 A 41 41 ILE HA H 71 3.510 3.429 0.081 2
1 467 . 1 1 A 41 41 ILE C C 71 175.600 178.317 -2.717 2
1 468 . 1 1 A 41 41 ILE CA C 71 62.500 64.353 -1.853 2
1 469 . 1 1 A 41 41 ILE CB C 71 35.700 37.830 -2.130 2
1 473 . 1 1 A 41 41 ILE N N 71 117.500 120.654 -3.154 2
1 474 . 1 1 A 42 42 THR H H 72 8.280 8.081 0.199 2
1 475 . 1 1 A 42 42 THR HA H 72 4.000 4.015 -0.015 2
1 480 . 1 1 A 42 42 THR C C 72 173.800 176.535 -2.735 2
1 481 . 1 1 A 42 42 THR CA C 72 62.500 65.480 -2.980 2
1 482 . 1 1 A 42 42 THR CB C 72 66.500 69.261 -2.761 2
1 484 . 1 1 A 42 42 THR N N 72 110.700 115.402 -4.702 2
1 485 . 1 1 A 43 43 SER H H 73 7.810 8.003 -0.193 2
1 486 . 1 1 A 43 43 SER HA H 73 4.320 4.384 -0.064 2
1 488 . 1 1 A 43 43 SER C C 73 172.800 173.898 -1.098 2
1 489 . 1 1 A 43 43 SER CA C 73 57.600 59.652 -2.052 2
1 490 . 1 1 A 43 43 SER CB C 73 60.900 63.550 -2.650 2
1 491 . 1 1 A 43 43 SER N N 73 115.900 115.120 0.780 2
1 492 . 1 1 A 44 44 ARG H H 74 7.490 7.653 -0.163 2
1 493 . 1 1 A 44 44 ARG HA H 74 4.120 3.924 0.196 2
1 500 . 1 1 A 44 44 ARG C C 74 174.200 175.595 -1.395 2
1 501 . 1 1 A 44 44 ARG CA C 74 53.600 56.721 -3.122 2
1 502 . 1 1 A 44 44 ARG CB C 74 27.700 27.886 -0.186 2
1 505 . 1 1 A 44 44 ARG N N 74 120.100 119.420 0.680 2
1 506 . 1 1 A 45 45 SER H H 75 7.890 7.658 0.232 2
1 507 . 1 1 A 45 45 SER HA H 75 4.210 4.271 -0.061 2
1 509 . 1 1 A 45 45 SER C C 75 172.300 174.645 -2.345 2
1 510 . 1 1 A 45 45 SER CA C 75 56.800 59.612 -2.812 2
1 511 . 1 1 A 45 45 SER CB C 75 60.900 63.658 -2.758 2
1 512 . 1 1 A 45 45 SER N N 75 114.400 114.239 0.161 2
1 513 . 1 1 A 46 46 ARG H H 76 7.850 8.423 -0.573 2
1 514 . 1 1 A 46 46 ARG HA H 76 4.220 4.460 -0.240 2
1 519 . 1 1 A 46 46 ARG C C 76 173.500 176.242 -2.742 2
1 520 . 1 1 A 46 46 ARG CA C 76 53.900 56.697 -2.797 2
1 521 . 1 1 A 46 46 ARG CB C 76 27.800 31.642 -3.842 2
1 524 . 1 1 A 46 46 ARG N N 76 120.600 123.103 -2.503 2
1 525 . 1 1 A 47 47 LYS H H 77 7.900 8.224 -0.324 2
1 526 . 1 1 A 47 47 LYS HA H 77 4.320 4.343 -0.023 2
1 533 . 1 1 A 47 47 LYS C C 77 173.600 175.823 -2.223 2
1 534 . 1 1 A 47 47 LYS CA C 77 53.400 56.235 -2.835 2
1 535 . 1 1 A 47 47 LYS CB C 77 30.500 32.838 -2.338 2
1 539 . 1 1 A 47 47 LYS N N 77 119.100 119.763 -0.663 2
1 540 . 1 1 A 48 48 THR H H 78 7.840 8.065 -0.225 2
1 541 . 1 1 A 48 48 THR HA H 78 4.390 4.655 -0.265 2
1 546 . 1 1 A 48 48 THR C C 78 174.000 173.199 0.801 2
1 547 . 1 1 A 48 48 THR CA C 78 59.500 59.385 0.115 2
1 548 . 1 1 A 48 48 THR CB C 78 66.600 69.344 -2.744 2
1 550 . 1 1 A 48 48 THR N N 78 116.200 114.211 1.989 2
1 551 . 1 1 A 49 49 PRO HA H 79 4.410 4.609 -0.199 2
1 557 . 1 1 A 49 49 PRO CA C 79 60.800 62.821 -2.021 2
1 558 . 1 1 A 49 49 PRO CB C 79 28.900 32.409 -3.509 2
1 561 . 1 1 A 50 50 ILE H H 80 7.850 8.557 -0.707 2
1 562 . 1 1 A 50 50 ILE HA H 80 3.880 3.757 0.123 2
1 572 . 1 1 A 50 50 ILE C C 80 173.500 177.555 -4.055 2
1 573 . 1 1 A 50 50 ILE CA C 80 59.800 64.289 -4.489 2
1 574 . 1 1 A 50 50 ILE CB C 80 35.600 37.683 -2.083 2
1 578 . 1 1 A 50 50 ILE N N 80 119.400 123.466 -4.066 2
1 579 . 1 1 A 51 51 PHE H H 81 7.730 8.399 -0.669 2
1 580 . 1 1 A 51 51 PHE HA H 81 4.500 4.164 0.336 2
1 585 . 1 1 A 51 51 PHE CA C 81 56.200 61.322 -5.122 2
1 586 . 1 1 A 51 51 PHE CB C 81 36.500 39.085 -2.585 2
1 590 . 1 1 A 51 51 PHE N N 81 118.900 122.855 -3.955 2
1 591 . 1 1 A 52 52 ILE H H 82 7.420 8.127 -0.707 2
1 592 . 1 1 A 52 52 ILE HA H 82 3.880 3.610 0.270 2
1 602 . 1 1 A 52 52 ILE C C 82 173.800 178.126 -4.326 2
1 603 . 1 1 A 52 52 ILE CA C 82 59.700 64.901 -5.201 2
1 604 . 1 1 A 52 52 ILE CB C 82 35.400 37.922 -2.522 2
1 608 . 1 1 A 52 52 ILE N N 82 118.000 120.127 -2.127 2
1 609 . 1 1 A 53 53 ILE H H 83 7.540 8.051 -0.511 2
1 610 . 1 1 A 53 53 ILE HA H 83 3.890 3.473 0.417 2
1 620 . 1 1 A 53 53 ILE C C 83 174.300 178.209 -3.909 2
1 621 . 1 1 A 53 53 ILE CA C 83 59.800 65.191 -5.391 2
1 622 . 1 1 A 53 53 ILE CB C 83 35.600 37.474 -1.874 2
1 626 . 1 1 A 53 53 ILE N N 83 119.300 120.102 -0.802 2
1 627 . 1 1 A 54 54 ASN H H 84 8.030 8.605 -0.575 2
1 628 . 1 1 A 54 54 ASN HA H 84 4.620 4.347 0.273 2
1 631 . 1 1 A 54 54 ASN CA C 84 51.500 56.605 -5.105 2
1 632 . 1 1 A 54 54 ASN CB C 84 36.500 38.897 -2.397 2
1 633 . 1 1 A 54 54 ASN N N 84 118.300 119.217 -0.917 2
1 634 . 1 1 A 55 55 GLN H H 85 8.040 8.081 -0.041 2
1 635 . 1 1 A 55 55 GLN HA H 85 4.210 3.949 0.261 2
1 639 . 1 1 A 55 55 GLN CA C 85 54.400 58.918 -4.518 2
1 640 . 1 1 A 55 55 GLN CB C 85 25.600 28.456 -2.856 2
1 642 . 1 1 A 56 56 VAL H H 86 7.720 8.243 -0.523 2
1 643 . 1 1 A 56 56 VAL HA H 86 3.800 3.741 0.059 2
1 651 . 1 1 A 56 56 VAL C C 86 174.200 178.013 -3.813 2
1 652 . 1 1 A 56 56 VAL CA C 86 62.700 66.352 -3.652 2
1 653 . 1 1 A 56 56 VAL CB C 86 29.100 31.573 -2.473 2
1 656 . 1 1 A 56 56 VAL N N 86 118.700 119.591 -0.891 2
1 657 . 1 1 A 57 57 SER H H 87 8.080 8.240 -0.160 2
1 658 . 1 1 A 57 57 SER HA H 87 4.200 4.099 0.101 2
1 660 . 1 1 A 57 57 SER C C 87 173.800 177.027 -3.227 2
1 661 . 1 1 A 57 57 SER CA C 87 58.400 61.840 -3.440 2
1 662 . 1 1 A 57 57 SER CB C 87 60.000 63.064 -3.064 2
1 663 . 1 1 A 57 57 SER N N 87 115.300 115.855 -0.555 2
1 664 . 1 1 A 58 58 LEU H H 88 7.780 8.331 -0.551 2
1 665 . 1 1 A 58 58 LEU HA H 88 4.060 3.910 0.150 2
1 675 . 1 1 A 58 58 LEU CA C 88 55.300 57.932 -2.632 2
1 676 . 1 1 A 58 58 LEU CB C 88 39.200 41.857 -2.657 2
1 680 . 1 1 A 58 58 LEU N N 88 121.900 121.772 0.128 2
1 681 . 1 1 A 59 59 PHE H H 89 7.980 8.578 -0.598 2
1 682 . 1 1 A 59 59 PHE HA H 89 4.190 4.173 0.017 2
1 687 . 1 1 A 59 59 PHE C C 89 174.600 177.436 -2.836 2
1 688 . 1 1 A 59 59 PHE CA C 89 58.300 61.092 -2.792 2
1 689 . 1 1 A 59 59 PHE CB C 89 35.900 38.965 -3.064 2
1 693 . 1 1 A 59 59 PHE N N 89 117.100 118.646 -1.546 2
1 694 . 1 1 A 60 60 LEU H H 90 8.010 8.665 -0.655 2
1 695 . 1 1 A 60 60 LEU HA H 90 3.870 3.791 0.079 2
1 705 . 1 1 A 60 60 LEU C C 90 176.800 179.222 -2.422 2
1 706 . 1 1 A 60 60 LEU CA C 90 55.400 58.372 -2.972 2
1 707 . 1 1 A 60 60 LEU CB C 90 38.900 41.983 -3.083 2
1 711 . 1 1 A 60 60 LEU N N 90 117.700 119.641 -1.941 2
1 712 . 1 1 A 61 61 ILE H H 91 7.910 7.954 -0.044 2
1 713 . 1 1 A 61 61 ILE HA H 91 3.790 3.550 0.240 2
1 723 . 1 1 A 61 61 ILE CA C 91 62.500 65.442 -2.942 2
1 724 . 1 1 A 61 61 ILE CB C 91 35.400 37.761 -2.361 2
1 728 . 1 1 A 61 61 ILE N N 91 118.400 118.503 -0.103 2
1 729 . 1 1 A 62 62 ILE H H 92 7.930 8.405 -0.475 2
1 730 . 1 1 A 62 62 ILE HA H 92 3.620 3.517 0.103 2
1 740 . 1 1 A 62 62 ILE C C 92 175.000 178.124 -3.124 2
1 741 . 1 1 A 62 62 ILE CA C 92 62.800 65.502 -2.702 2
1 742 . 1 1 A 62 62 ILE CB C 92 34.600 37.775 -3.175 2
1 746 . 1 1 A 62 62 ILE N N 92 121.800 120.301 1.499 2
1 747 . 1 1 A 63 63 LEU H H 93 8.250 8.428 -0.178 2
1 748 . 1 1 A 63 63 LEU HA H 93 3.880 3.890 -0.010 2
1 758 . 1 1 A 63 63 LEU C C 93 175.900 179.002 -3.103 2
1 759 . 1 1 A 63 63 LEU CA C 93 55.800 58.446 -2.646 2
1 760 . 1 1 A 63 63 LEU CB C 93 39.100 41.899 -2.799 2
1 764 . 1 1 A 63 63 LEU N N 93 119.800 120.760 -0.960 2
1 765 . 1 1 A 64 64 HIS H H 94 8.330 8.579 -0.249 2
1 766 . 1 1 A 64 64 HIS HA H 94 4.290 4.130 0.160 2
1 770 . 1 1 A 64 64 HIS C C 94 175.200 176.958 -1.758 2
1 771 . 1 1 A 64 64 HIS CA C 94 56.000 59.916 -3.916 2
1 772 . 1 1 A 64 64 HIS CB C 94 25.900 29.525 -3.625 2
1 775 . 1 1 A 64 64 HIS N N 94 114.700 118.731 -4.031 2
1 776 . 1 1 A 65 65 SER H H 95 8.150 8.534 -0.384 2
1 777 . 1 1 A 65 65 SER HA H 95 4.250 3.935 0.315 2
1 779 . 1 1 A 65 65 SER C C 95 172.500 176.886 -4.386 2
1 780 . 1 1 A 65 65 SER CA C 95 59.900 61.834 -1.934 2
1 781 . 1 1 A 65 65 SER CB C 95 60.500 62.741 -2.241 2
1 782 . 1 1 A 65 65 SER N N 95 116.200 114.702 1.498 2
1 783 . 1 1 A 66 66 ALA H H 96 8.220 8.329 -0.109 2
1 784 . 1 1 A 66 66 ALA HA H 96 4.080 4.314 -0.234 2
1 788 . 1 1 A 66 66 ALA C C 96 176.400 179.872 -3.472 2
1 789 . 1 1 A 66 66 ALA CA C 96 52.600 55.209 -2.609 2
1 790 . 1 1 A 66 66 ALA CB C 96 15.600 18.104 -2.504 2
1 791 . 1 1 A 66 66 ALA N N 96 123.500 123.664 -0.164 2
1 792 . 1 1 A 67 67 LEU H H 97 7.870 8.522 -0.652 2
1 793 . 1 1 A 67 67 LEU HA H 97 3.980 4.001 -0.021 2
1 803 . 1 1 A 67 67 LEU C C 97 176.700 178.740 -2.040 2
1 804 . 1 1 A 67 67 LEU CA C 97 55.000 57.963 -2.963 2
1 805 . 1 1 A 67 67 LEU CB C 97 38.700 41.968 -3.268 2
1 809 . 1 1 A 67 67 LEU N N 97 115.800 119.149 -3.349 2
1 810 . 1 1 A 68 68 TYR H H 98 7.830 8.658 -0.828 2
1 811 . 1 1 A 68 68 TYR HA H 98 4.320 4.191 0.129 2
1 816 . 1 1 A 68 68 TYR C C 98 174.900 177.572 -2.672 2
1 817 . 1 1 A 68 68 TYR CA C 98 58.200 61.837 -3.637 2
1 818 . 1 1 A 68 68 TYR CB C 98 35.500 38.500 -3.000 2
1 821 . 1 1 A 68 68 TYR N N 98 120.300 119.646 0.654 2
1 822 . 1 1 A 69 69 PHE H H 99 8.110 8.538 -0.428 2
1 823 . 1 1 A 69 69 PHE HA H 99 4.200 4.262 -0.062 2
1 828 . 1 1 A 69 69 PHE C C 99 173.600 177.644 -4.044 2
1 829 . 1 1 A 69 69 PHE CA C 99 58.400 61.697 -3.297 2
1 830 . 1 1 A 69 69 PHE CB C 99 36.100 39.222 -3.122 2
1 834 . 1 1 A 69 69 PHE N N 99 117.600 120.509 -2.909 2
1 835 . 1 1 A 70 70 LYS H H 100 8.030 8.416 -0.386 2
1 836 . 1 1 A 70 70 LYS HA H 100 3.800 3.897 -0.097 2
1 843 . 1 1 A 70 70 LYS C C 100 175.700 178.266 -2.566 2
1 844 . 1 1 A 70 70 LYS CA C 100 57.300 59.302 -2.002 2
1 845 . 1 1 A 70 70 LYS CB C 100 29.500 32.136 -2.636 2
1 849 . 1 1 A 70 70 LYS N N 100 118.300 118.140 0.160 2
1 850 . 1 1 A 71 71 TYR H H 101 7.720 8.351 -0.631 2
1 851 . 1 1 A 71 71 TYR HA H 101 4.210 4.079 0.131 2
1 856 . 1 1 A 71 71 TYR C C 101 175.300 177.422 -2.122 2
1 857 . 1 1 A 71 71 TYR CA C 101 57.800 61.322 -3.522 2
1 858 . 1 1 A 71 71 TYR CB C 101 34.700 38.663 -3.962 2
1 861 . 1 1 A 71 71 TYR N N 101 119.600 121.040 -1.440 2
1 862 . 1 1 A 72 72 LEU H H 102 7.950 8.241 -0.291 2
1 863 . 1 1 A 72 72 LEU HA H 102 3.800 3.759 0.041 2
1 870 . 1 1 A 72 72 LEU C C 102 176.300 179.120 -2.820 2
1 871 . 1 1 A 72 72 LEU CA C 102 55.100 57.862 -2.762 2
1 872 . 1 1 A 72 72 LEU CB C 102 39.500 41.656 -2.156 2
1 876 . 1 1 A 72 72 LEU N N 102 121.000 120.388 0.612 2
1 877 . 1 1 A 73 73 LEU H H 103 7.870 8.011 -0.141 2
1 878 . 1 1 A 73 73 LEU HA H 103 4.030 4.107 -0.077 2
1 888 . 1 1 A 73 73 LEU C C 103 176.200 178.689 -2.489 2
1 889 . 1 1 A 73 73 LEU CA C 103 54.500 58.014 -3.514 2
1 890 . 1 1 A 73 73 LEU CB C 103 39.200 41.186 -1.986 2
1 894 . 1 1 A 73 73 LEU N N 103 116.900 118.626 -1.726 2
1 895 . 1 1 A 74 74 SER H H 104 7.780 8.296 -0.516 2
1 896 . 1 1 A 74 74 SER HA H 104 4.230 4.078 0.152 2
1 898 . 1 1 A 74 74 SER C C 104 172.800 176.617 -3.816 2
1 899 . 1 1 A 74 74 SER CA C 104 57.900 61.527 -3.627 2
1 900 . 1 1 A 74 74 SER CB C 104 60.800 62.804 -2.004 2
1 901 . 1 1 A 74 74 SER N N 104 113.200 115.394 -2.194 2
1 902 . 1 1 A 75 75 ASN H H 105 7.720 7.668 0.052 2
1 903 . 1 1 A 75 75 ASN HA H 105 4.530 4.481 0.049 2
1 906 . 1 1 A 75 75 ASN C C 105 173.100 177.202 -4.102 2
1 907 . 1 1 A 75 75 ASN CA C 105 51.800 55.525 -3.725 2
1 908 . 1 1 A 75 75 ASN CB C 105 36.600 38.305 -1.705 2
1 909 . 1 1 A 75 75 ASN N N 105 118.400 119.504 -1.104 2
1 910 . 1 1 A 76 76 TYR H H 106 7.720 7.638 0.082 2
1 911 . 1 1 A 76 76 TYR HA H 106 4.380 4.336 0.044 2
1 916 . 1 1 A 76 76 TYR C C 106 173.000 176.347 -3.347 2
1 917 . 1 1 A 76 76 TYR CA C 106 56.700 59.870 -3.170 2
1 918 . 1 1 A 76 76 TYR CB C 106 36.100 38.387 -2.287 2
1 921 . 1 1 A 76 76 TYR N N 106 118.900 118.696 0.204 2
1 922 . 1 1 A 77 77 SER H H 107 7.650 7.826 -0.176 2
1 923 . 1 1 A 77 77 SER HA H 107 4.330 4.655 -0.325 2
1 926 . 1 1 A 77 77 SER C C 107 171.800 173.159 -1.359 2
1 927 . 1 1 A 77 77 SER CA C 107 55.800 57.317 -1.517 2
1 928 . 1 1 A 77 77 SER CB C 107 61.400 64.154 -2.754 2
1 929 . 1 1 A 77 77 SER N N 107 114.300 113.468 0.832 2
1 930 . 1 1 A 78 78 SER H H 108 7.940 8.599 -0.659 2
1 931 . 1 1 A 78 78 SER HA H 108 4.440 4.836 -0.396 2
1 933 . 1 1 A 78 78 SER C C 108 171.900 173.526 -1.626 2
1 934 . 1 1 A 78 78 SER CA C 108 55.800 57.759 -1.959 2
1 935 . 1 1 A 78 78 SER CB C 108 61.200 64.152 -2.952 2
1 936 . 1 1 A 78 78 SER N N 108 116.600 119.971 -3.371 2
1 937 . 1 1 A 79 79 VAL H H 109 7.850 8.130 -0.280 2
1 938 . 1 1 A 79 79 VAL HA H 109 4.170 4.570 -0.400 2
1 943 . 1 1 A 79 79 VAL C C 109 172.900 174.330 -1.430 2
1 944 . 1 1 A 79 79 VAL CA C 109 59.900 60.764 -0.864 2
1 945 . 1 1 A 79 79 VAL CB C 109 29.900 34.056 -4.156 2
1 948 . 1 1 A 79 79 VAL N N 109 120.200 120.943 -0.743 2
stop_
save_