data_2m7u_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2m7u _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . 0.456 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 1.4 ptp180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.733 0.301 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 35.0 tp60 -69.46 -30.76 68.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.703 -177.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.0 -55.88 9.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.609 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 17.9 pt -48.1 -37.65 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.725 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 29.4 m-85 -60.9 -45.75 93.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.997 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 82.8 tt0 -52.83 -36.61 58.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.045 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 97.5 m -60.31 -49.29 78.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.033 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 447' ' ' LEU . 2.3 mt -58.93 -51.57 69.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.93 -35.53 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.14 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -64.03 -45.86 87.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -71.6 -44.6 64.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.789 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -50.59 -48.92 41.64 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . 0.554 ' NH1' ' OG ' ' A' ' 477' ' ' SER . 22.2 ptt180 -77.67 -30.83 52.2 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.093 -178.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -78.13 -57.91 3.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.768 0.318 . . . . 0.0 110.775 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.36 -42.0 98.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.679 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.605 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.8 mt -89.82 -12.81 38.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.805 -178.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 58.32 54.78 5.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.4 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 75.2 m -94.1 158.37 15.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.627 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.428 ' OD2' ' OG ' ' A' ' 556' ' ' SER . 86.8 m-20 -80.84 -52.47 7.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.501 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.482 ' O ' ' O ' ' A' ' 553' ' ' HIS . 26.1 ttt180 -137.08 138.76 40.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.538 -178.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 15.2 m -145.49 130.98 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.436 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 16.4 tt -117.71 138.23 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.718 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 2.6 t -134.91 128.24 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.4 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.54 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 20.6 p90 -138.95 142.85 38.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.713 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -84.48 146.79 27.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.498 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -82.08 147.4 29.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.641 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -111.85 -170.74 1.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.502 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 53.2 p30 -81.44 -15.64 54.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.425 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 467' ' ' ASP . 84.9 m-20 -102.77 28.39 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . 0.503 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 8.3 m-85 54.94 19.85 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.335 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . 0.401 ' HA ' ' NH1' ' A' ' 496' ' ' ARG . 59.2 t -108.49 128.23 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.627 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -79.56 176.11 54.8 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' THR . . . . . 0.403 ' N ' ' HB2' ' A' ' 463' ' ' TYR . 53.8 m -148.2 109.05 4.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.598 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 19.0 t -68.35 86.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.645 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.55 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 33.8 m -82.62 -22.63 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.361 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.25 134.35 17.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.381 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 485' ' ' ALA . 55.4 tt0 -146.04 146.3 30.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.652 178.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 477' ' ' SER . . . . . 0.554 ' OG ' ' NH1' ' A' ' 452' ' ' ARG . 8.5 t -134.66 119.44 18.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.589 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 2.2 m -135.71 143.44 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.507 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -59.33 171.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.698 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -74.35 127.47 33.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.46 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.41 -13.04 25.77 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -96.74 166.24 14.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 110.827 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -85.36 127.42 3.33 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.029 2.486 . . . . 0.0 111.902 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -94.69 148.12 22.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.657 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . 0.448 ' N ' ' OE1' ' A' ' 476' ' ' GLU . . . -114.63 -97.57 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.558 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 487' ' ' ASP . 0.0 OUTLIER 61.1 123.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.648 -178.333 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 10.5 t0 80.11 16.68 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.589 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -105.39 147.24 28.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 33.9 m -102.66 128.44 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . 0.417 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 8.9 mm -92.97 110.43 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.706 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -107.95 93.43 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.29 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . 0.715 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 0.2 OUTLIER -135.65 77.31 52.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 179.124 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 493' ' ' PRO . . . . . 0.592 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 53.6 Cg_endo -71.84 39.31 0.38 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.685 2.257 . . . . 0.0 112.197 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . 0.756 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -98.9 -74.93 0.57 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 495' ' ' PHE . . . . . 0.756 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 35.0 p90 -77.49 -52.73 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.389 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . 0.715 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 23.6 ptt180 -51.2 -13.16 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.598 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' GLU . . . . . 0.482 ' OE1' ' CD2' ' A' ' 498' ' ' HIS . 5.6 tm-20 -90.54 -58.24 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.538 -177.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' HIS . . . . . 0.482 ' CD2' ' OE1' ' A' ' 497' ' ' GLU . 4.9 m80 -96.56 -46.73 6.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.455 -177.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -63.93 -7.96 9.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . 0.737 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 5.9 p -46.58 -67.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.485 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.737 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 22.3 pt-20 -47.53 -38.7 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.584 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.6 98.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . 0.637 ' HH ' ' CG2' ' A' ' 537' ' ' VAL . 4.5 m-85 -61.81 -41.11 97.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.667 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.559 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.4 mmt85 -50.1 -34.97 23.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.739 177.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -77.5 -10.15 59.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.701 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 91.08 35.65 7.01 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -78.52 154.56 30.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.773 0.32 . . . . 0.0 110.649 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.4 pt -137.4 156.94 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.461 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . 0.609 ' NE2' ' ND2' ' A' ' 535' ' ' ASN . 0.8 OUTLIER -130.36 119.41 22.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.638 177.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . 0.783 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -115.81 113.8 23.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.378 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' THR . . . . . 0.559 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.3 OUTLIER -129.06 111.82 13.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.637 177.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 98.8 m -64.21 -57.32 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 515' ' ' PHE . 40.0 t0 -107.98 98.98 8.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.562 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.602 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 44.9 pt -53.61 -10.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.415 -177.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . 0.482 ' H ' ' C ' ' A' ' 513' ' ' ASP . 17.6 m-85 -74.98 -10.8 59.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.469 -177.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -102.09 -15.83 16.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.25 116.81 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.575 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . 0.713 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 108.06 44.17 1.22 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.01 30.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.704 0.287 . . . . 0.0 110.618 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.713 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.1 OUTLIER -77.37 -175.21 3.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.52 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.431 ' N ' ' OG1' ' A' ' 520' ' ' THR . 88.5 tt0 -103.86 -72.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.355 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 17.6 p -54.36 -37.18 64.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.179 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.456 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 53.1 t60 -56.61 -56.62 19.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.459 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 24.0 mt -55.92 -44.99 78.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.481 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -71.07 -17.37 62.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.756 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' A' ' 526' ' ' GLN . 4.4 tt0 -83.55 -31.45 26.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.646 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 10.8 mp -93.25 -32.94 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.664 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.55 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 11.8 mtt85 -43.73 -58.95 3.93 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 11.9 Cg_endo -56.22 -26.31 60.38 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.804 2.336 . . . . 0.0 112.025 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 34.5 mt -90.24 -9.65 47.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.516 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 531' ' ' LYS . 1.1 ttmt 57.21 26.77 12.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.94 120.2 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.643 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . 0.427 ' NH1' ' CE1' ' A' ' 515' ' ' PHE . 74.9 mtt-85 -125.38 74.44 1.39 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.942 0.401 . . . . 0.0 110.622 178.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . 0.602 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.44 -171.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.297 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . 0.609 ' ND2' ' NE2' ' A' ' 509' ' ' GLN . 17.1 t-20 -174.32 100.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.077 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 58.2 tp -133.68 113.27 12.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.17 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.637 ' CG2' ' HH ' ' A' ' 503' ' ' TYR . 30.9 m -116.52 120.07 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.258 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . 0.461 ' O ' ' CD1' ' A' ' 549' ' ' LEU . 2.2 t -115.87 111.48 43.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.955 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.76 131.86 30.72 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.792 2.328 . . . . 0.0 112.334 -175.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.53 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 78.0 mmm -116.72 111.93 20.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.154 176.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.01 120.55 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 0.0 110.979 -175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.0 mt -109.83 139.76 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.873 177.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 57.0 t0 44.22 33.47 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.076 0.465 . . . . 0.0 109.878 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 20.9 t0 71.6 25.73 3.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.443 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 542' ' ' ILE . 23.0 mt-30 -128.85 135.91 49.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.579 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . 0.559 ' CB ' HH21 ' A' ' 504' ' ' ARG . 14.0 tp -71.29 93.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.628 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -84.47 -36.84 22.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.538 -176.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . 0.53 ' O ' ' HB2' ' A' ' 540' ' ' MET . . . -159.45 -178.27 33.29 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -176.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.484 HD13 ' N ' ' A' ' 550' ' ' LEU . 18.3 tp -152.86 134.55 14.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.672 0.272 . . . . 0.0 110.391 -178.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . 0.484 ' N ' HD13 ' A' ' 549' ' ' LEU . 24.8 tp -100.95 116.52 33.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.621 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.473 ' CG2' ' NE2' ' A' ' 553' ' ' HIS . 5.1 mt -120.48 130.68 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.531 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -112.46 143.75 43.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.482 ' O ' ' O ' ' A' ' 459' ' ' ARG . 33.4 m80 -140.37 136.68 33.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.701 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.624 ' NE2' ' NH1' ' A' ' 559' ' ' ARG . 23.1 mp0 -93.65 102.15 14.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.79 85.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.34 -177.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' SER . . . . . 0.498 ' HG ' ' H ' ' A' ' 557' ' ' GLU . 89.6 p -63.79 -73.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.275 -177.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.498 ' H ' ' HG ' ' A' ' 556' ' ' SER . 0.3 OUTLIER -149.65 161.92 30.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.476 -178.776 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -46.34 157.04 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.914 2.409 . . . . 0.0 112.002 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.649 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 22.7 ttt-85 -154.66 153.26 31.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.636 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -113.06 111.48 22.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.479 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . 0.783 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.0 OUTLIER -81.55 116.04 21.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.75 178.184 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -67.32 161.21 25.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.353 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.28 -35.17 69.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.384 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . 0.411 HG22 HD12 ' A' ' 564' ' ' ILE . 96.9 mt -65.25 -37.8 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.471 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.11 -33.85 76.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.495 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 90.6 mt -67.88 -44.77 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.587 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -52.55 -48.36 66.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.514 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -60.24 -41.57 93.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . 0.605 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 6.2 m-85 -57.43 -42.55 82.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.361 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 574' ' ' SER . 20.0 t -59.75 -50.71 72.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.358 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -65.87 -42.64 90.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.304 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . 0.594 ' O ' ' OG1' ' A' ' 575' ' ' THR . 7.9 tp -61.89 -51.3 68.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.542 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -68.95 -41.3 78.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.537 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 570' ' ' SER . 19.8 t -55.87 -43.13 76.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.621 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' THR . . . . . 0.594 ' OG1' ' O ' ' A' ' 572' ' ' LEU . 7.9 p -54.61 -39.62 68.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.671 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -58.89 -47.15 92.04 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.67 -41.42 55.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.318 . . . . 0.0 110.745 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.9 mt -57.76 -40.35 79.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 -179.448 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . 0.532 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 3.1 ptp180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.861 0.362 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 3.7 tm0? -69.1 -31.63 70.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.693 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 445' ' ' GLU . . . -70.04 -57.21 5.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -177.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . 0.517 ' O ' ' OG1' ' A' ' 446' ' ' THR . 14.1 pt -43.42 -37.03 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.712 -178.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 42.3 m-85 -67.62 -39.19 84.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 178.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 449' ' ' ALA . 43.0 tp10 -54.53 -41.63 69.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.161 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 443' ' ' ILE . 17.2 p -58.51 -53.8 54.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.04 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.462 ' N ' HD21 ' A' ' 447' ' ' LEU . 1.0 OUTLIER -55.41 -51.06 68.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.162 179.27 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 58.0 t -71.16 -35.66 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.11 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 445' ' ' GLU . . . -64.11 -48.0 77.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.763 0.316 . . . . 0.0 110.826 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -72.54 -37.97 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -55.31 -50.96 57.45 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . 0.494 ' NH1' ' OG ' ' A' ' 477' ' ' SER . 9.2 ptm180 -77.72 -30.41 51.72 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.059 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.65 -56.77 4.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.701 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.9 mt -66.14 -42.3 89.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.709 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.575 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.1 mt -88.88 -14.08 37.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.734 -177.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 60.57 55.71 3.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.382 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 12.8 t -94.42 157.52 15.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.661 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.425 ' OD2' ' OG ' ' A' ' 556' ' ' SER . 92.2 m-20 -83.07 -53.93 5.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.48 -178.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.482 ' O ' ' O ' ' A' ' 553' ' ' HIS . 7.4 ttt180 -140.24 140.02 35.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.557 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 28.5 m -146.44 132.87 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.493 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 35.5 mt -113.3 137.43 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 2.3 t -134.82 128.44 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.449 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.508 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 25.6 p90 -142.41 142.44 32.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.691 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -82.61 145.98 29.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.455 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.1 m-85 -82.04 146.6 29.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.642 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -111.48 -171.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.546 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -80.7 -15.74 55.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.457 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -102.05 27.33 6.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.52 -178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . 0.483 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.1 m-85 55.09 19.06 2.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.386 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 58.1 t -108.5 127.27 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.551 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.412 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -77.68 174.08 54.86 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -177.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 84.8 m -146.74 106.07 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.782 0.325 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.96 96.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.649 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 11.4 p -96.27 -18.89 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.387 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -149.62 130.26 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.408 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 485' ' ' ALA . 48.9 tt0 -147.81 145.26 28.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.648 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 477' ' ' SER . . . . . 0.494 ' OG ' ' NH1' ' A' ' 452' ' ' ARG . 45.5 t -134.5 121.34 20.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.615 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.6 m -134.08 140.01 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.582 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.31 171.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.709 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -74.03 126.63 30.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.404 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.68 -9.73 25.81 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -101.96 167.06 11.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.812 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -86.85 130.13 3.06 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.965 2.443 . . . . 0.0 111.966 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -95.73 149.5 21.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.693 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . 0.409 ' N ' ' OE1' ' A' ' 476' ' ' GLU . . . -113.44 -95.59 0.45 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.426 ' HG3' HH11 ' A' ' 486' ' ' ARG . 32.8 mmm-85 62.17 123.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.75 -178.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 487' ' ' ASP . 0.4 OUTLIER 75.0 18.83 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.199 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -105.02 148.01 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.565 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 18.8 m -108.41 132.21 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 50.9 mt -102.13 122.08 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.663 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . 0.417 ' O ' ' OD1' ' A' ' 492' ' ' ASP . 95.0 mt-10 -112.64 96.97 6.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.303 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . 0.724 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 5.3 m-20 -135.84 78.1 49.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.687 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 493' ' ' PRO . . . . . 0.472 ' O ' ' OE1' ' A' ' 497' ' ' GLU . 52.4 Cg_endo -70.41 36.26 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.753 2.302 . . . . 0.0 112.151 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . 0.736 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -95.91 -79.9 0.43 Allowed 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.302 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 495' ' ' PHE . . . . . 0.736 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 34.6 p90 -75.24 -52.39 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 118.141 0.428 . . . . 0.0 110.307 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . 0.724 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 23.7 ptt180 -51.82 -13.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.665 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' GLU . . . . . 0.519 ' OE1' ' NE2' ' A' ' 498' ' ' HIS . 68.3 tt0 -89.41 -58.47 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.478 -177.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' HIS . . . . . 0.519 ' NE2' ' OE1' ' A' ' 497' ' ' GLU . 2.2 m80 -96.95 -46.96 6.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.384 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -64.39 -4.84 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . 0.739 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 6.4 p -49.12 -67.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.484 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.739 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 24.4 mt-10 -47.46 -39.99 17.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.52 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.56 92.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.495 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.6 m-85 -62.35 -40.25 95.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.626 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.449 ' HE ' ' HB2' ' A' ' 546' ' ' LEU . 24.0 mmt85 -51.93 -31.95 30.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.77 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -79.7 -9.69 59.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.682 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 90.68 35.93 7.08 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -79.55 154.83 28.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.641 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.8 pt -136.78 156.33 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.457 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . 0.585 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 1.1 tm0? -133.64 119.72 19.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.696 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . 0.724 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -114.78 114.35 25.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.357 -178.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' THR . . . . . 0.585 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.2 OUTLIER -129.63 108.67 10.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.649 177.468 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 54.5 m -62.78 -61.97 2.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.503 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.6 t0 -102.93 97.73 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.581 -178.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.592 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 46.6 pt -53.58 -10.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.378 -177.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . 0.48 ' H ' ' C ' ' A' ' 513' ' ' ASP . 16.6 m-85 -75.0 -10.56 59.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.434 -178.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -101.5 -12.04 18.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.593 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.91 116.27 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . 0.735 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 102.99 44.25 1.79 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.35 33.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 110.649 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.735 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.2 OUTLIER -77.65 -174.12 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.531 ' H ' HG22 ' A' ' 520' ' ' THR . 5.1 pt-20 -105.5 -52.17 2.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.359 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 7.9 p -70.65 -41.37 72.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.2 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.591 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 51.2 t60 -55.93 -56.79 16.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.447 -178.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 18.8 mt -54.23 -45.59 72.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.504 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 78.3 m-20 -73.02 -10.23 59.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -90.63 -32.27 16.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.574 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.409 ' N ' ' CD1' ' A' ' 527' ' ' LEU . 9.9 mp -93.98 -17.56 22.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.542 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 16.7 mtt85 -59.36 -59.46 13.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.661 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 11.7 Cg_endo -55.81 -29.31 71.46 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.827 2.351 . . . . 0.0 112.092 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 35.2 mt -85.74 -14.11 46.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.549 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.3 tptm 66.12 22.58 11.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.506 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 14.2 t -69.84 116.32 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.631 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 65.5 mtt-85 -124.01 73.57 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.511 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . 0.592 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 170.82 -170.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.223 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -174.44 98.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 111.075 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 49.6 tp -133.6 112.34 11.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.209 177.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 31.8 m -115.3 120.51 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.21 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . 0.42 ' O ' ' CD1' ' A' ' 549' ' ' LEU . 32.9 t -117.01 111.5 40.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.023 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.71 132.68 33.65 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.844 2.363 . . . . 0.0 112.351 -174.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 39.2 mmm -115.37 113.64 24.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.211 175.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 13.1 t -121.09 123.58 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . 0.563 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.7 mt -109.25 138.37 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.913 177.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 53.5 t0 43.1 31.96 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 109.846 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 75.93 25.62 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.431 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' A' ' 542' ' ' ILE . 24.6 mt-30 -129.72 134.51 47.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . 0.449 ' HB2' ' HE ' ' A' ' 504' ' ' ARG . 11.8 tp -72.11 95.04 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.612 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -90.13 -33.09 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -177.277 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . 0.612 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -156.22 -178.77 30.7 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 550' ' ' LEU . 14.5 tp -155.07 136.93 14.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.666 0.27 . . . . 0.0 110.422 -178.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 549' ' ' LEU . 28.4 tp -105.27 119.74 39.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.658 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.446 HG21 ' HE2' ' A' ' 553' ' ' HIS . 3.5 mt -124.63 130.41 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -106.93 145.26 32.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.482 ' O ' ' O ' ' A' ' 459' ' ' ARG . 30.0 m80 -142.51 139.27 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.646 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.484 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 50.3 mm-40 -89.15 118.03 28.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.768 176.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -83.87 -9.34 58.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.256 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' SER . . . . . 0.425 ' OG ' ' OD2' ' A' ' 458' ' ' ASP . 10.4 p -100.58 -72.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.294 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -145.34 159.1 49.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -46.67 159.65 0.29 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.913 2.409 . . . . 0.0 112.035 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.588 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 41.0 ttt85 -154.17 150.71 28.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.644 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -108.97 107.51 17.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.438 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . 0.724 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.4 OUTLIER -83.72 120.8 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.74 179.368 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -70.96 158.27 36.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.3 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -57.52 -32.51 67.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.481 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . 0.449 HG23 HE21 ' A' ' 568' ' ' GLN . 19.9 mm -67.23 -38.09 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.477 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.15 -31.75 72.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.478 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 23.4 mt -73.7 -42.12 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.603 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -52.5 -48.17 66.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.449 HE21 HG23 ' A' ' 564' ' ' ILE . 40.7 mt-30 -60.27 -41.05 92.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . 0.575 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.1 m-85 -57.27 -41.13 79.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.411 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' SER . . . . . 0.492 ' O ' ' OG ' ' A' ' 574' ' ' SER . 11.3 t -59.16 -52.05 67.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.398 -178.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.69 -43.08 97.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.299 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 17.7 tp -62.0 -55.01 33.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.529 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.0 93.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.538 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' SER . . . . . 0.492 ' OG ' ' O ' ' A' ' 570' ' ' SER . 68.3 m -57.22 -32.99 67.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.0 m -53.13 -48.44 67.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.748 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.07 -44.67 88.31 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.58 -39.26 49.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.752 0.31 . . . . 0.0 110.692 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.33 -42.08 86.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.667 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.118 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . 0.515 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.778 0.323 . . . . 0.0 110.616 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . 0.552 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 5.4 tm0? -68.79 -30.99 69.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.625 -177.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.68 -58.09 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.592 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . 0.472 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 9.0 pt -44.27 -39.28 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.753 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 36.0 m-85 -62.65 -44.45 96.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 46.3 tp10 -52.67 -38.37 60.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.109 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 89.1 m -60.51 -46.8 88.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 447' ' ' LEU . 2.8 mt -60.33 -52.26 66.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.211 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.54 -37.1 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.151 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -64.59 -46.18 83.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.817 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -72.07 -43.24 65.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.814 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -52.95 -49.4 55.24 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 43.9 ptt85 -78.16 -30.52 49.24 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.029 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -77.08 -57.54 3.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.327 . . . . 0.0 110.7 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.49 -43.54 85.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.701 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.3 mt -85.6 -13.72 47.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.71 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.62 55.06 4.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.385 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 11.6 t -94.65 153.7 17.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.705 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.406 ' OD2' ' OG ' ' A' ' 556' ' ' SER . 86.4 m-20 -78.16 -54.42 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.449 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.489 ' HE ' ' CG1' ' A' ' 478' ' ' VAL . 12.6 ttm180 -134.81 139.88 45.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.576 -178.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 11.5 m -146.47 130.06 9.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.488 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.406 HD12 ' HD1' ' A' ' 553' ' ' HIS . 28.9 mt -115.84 138.27 46.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.836 -178.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 2.4 t -135.56 125.41 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.499 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 22.0 p90 -138.43 140.27 39.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.659 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -81.28 147.11 30.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.444 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 547' ' ' PHE . 1.9 m-85 -82.71 145.83 29.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.595 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . 0.557 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 41.5 t0 -110.43 -172.56 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.467 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . 0.557 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 86.8 m-20 -80.39 -16.13 55.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.455 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -101.93 30.68 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.448 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . 0.467 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 7.6 m-85 53.25 17.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.38 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . 0.405 ' CG1' ' CG1' ' A' ' 489' ' ' VAL . 43.8 t -108.79 129.04 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.619 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -81.5 176.14 54.31 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 88.1 m -149.96 108.7 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 24.9 t -67.95 92.98 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.72 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.527 ' O ' ' NE ' ' A' ' 486' ' ' ARG . 13.6 p -89.28 -19.87 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.394 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.91 134.86 15.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.39 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -152.45 150.71 29.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.677 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 49.5 m -140.77 129.85 23.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.591 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . 0.489 ' CG1' ' HE ' ' A' ' 459' ' ' ARG . 2.1 t -136.35 144.58 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.573 -178.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -53.95 170.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -77.67 131.28 37.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.412 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 111.38 -16.23 27.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 50.1 m95 -97.07 169.2 9.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . 0.477 ' O ' ' NH2' ' A' ' 459' ' ' ARG . 8.5 Cg_endo -87.12 126.5 2.39 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.026 2.484 . . . . 0.0 111.907 178.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -89.92 147.99 23.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.711 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -111.23 -96.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.614 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.527 ' NE ' ' O ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER 61.13 129.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.644 -178.337 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 12.1 t0 76.98 19.37 1.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.564 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -102.91 146.1 28.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.484 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . 0.405 ' CG1' ' CG1' ' A' ' 470' ' ' VAL . 21.5 t -98.39 128.33 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.654 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . 0.416 HG23 HD11 ' A' ' 490' ' ' ILE . 11.5 mm -97.52 112.02 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.662 179.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . 0.45 ' O ' ' OD1' ' A' ' 492' ' ' ASP . 78.5 mt-10 -114.04 94.34 4.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.339 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . 0.7 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 4.5 m-20 -137.14 79.26 38.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.714 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 493' ' ' PRO . . . . . 0.482 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 55.4 Cg_endo -71.31 38.59 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.739 2.293 . . . . 0.0 112.178 -177.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . 0.719 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -97.85 -77.65 0.5 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 118.98 -0.533 . . . . 0.0 109.731 179.062 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 495' ' ' PHE . . . . . 0.719 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 33.8 p90 -75.07 -53.16 9.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 110.394 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . 0.7 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 24.3 ptt180 -51.5 -12.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.682 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' GLU . . . . . 0.464 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 73.4 tt0 -89.7 -58.11 2.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.495 -177.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -97.38 -46.54 6.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.52 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -63.5 -8.37 9.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.493 -177.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . 0.73 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 5.9 p -47.02 -67.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.487 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.73 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 23.0 pt-20 -47.26 -38.85 13.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.11 97.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.7 m-85 -61.33 -41.43 97.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.601 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.601 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.8 mmt85 -48.8 -35.95 15.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.714 177.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -76.59 -10.65 59.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.681 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 91.25 35.78 6.89 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -77.36 155.05 32.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 0.0 110.598 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.6 pt -136.75 155.28 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.446 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . 0.554 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 0.8 OUTLIER -132.36 119.12 20.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 177.521 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . 0.748 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -115.98 115.68 26.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.412 -178.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' THR . . . . . 0.554 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.3 OUTLIER -129.04 111.66 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.714 177.389 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 79.1 m -64.37 -57.81 8.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.479 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' A' ' 515' ' ' PHE . 40.5 t0 -108.59 99.59 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.536 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 27.1 pt -53.63 -10.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.293 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . 0.489 ' H ' ' C ' ' A' ' 513' ' ' ASP . 13.5 m-85 -74.01 -10.98 60.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.5 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -102.38 -15.67 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.566 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.9 116.42 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.599 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . 0.717 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 106.93 44.84 1.25 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.59 31.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.652 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.717 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.1 OUTLIER -76.82 -176.97 4.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.479 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 522' ' ' CYS . 15.9 pt-20 -106.08 -54.0 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.381 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 14.8 p -69.68 -40.98 76.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.224 -177.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.537 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 33.5 t60 -57.29 -55.44 34.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.386 -178.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 32.7 mt -54.54 -46.28 73.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.522 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 77.1 m-20 -71.6 -17.03 62.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.696 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' ' 526' ' ' GLN . 4.2 tt0 -83.27 -29.07 28.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.64 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 8.8 mp -96.14 -26.54 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.644 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.539 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 14.3 mtt85 -47.55 -59.45 5.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 16.1 Cg_endo -58.33 -29.53 88.32 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.854 2.369 . . . . 0.0 112.045 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 50.8 mt -82.57 -15.41 52.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.554 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.474 ' CE ' HH12 ' A' ' 533' ' ' ARG . 9.1 tptt 68.23 20.44 8.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.511 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.94 116.65 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.515 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . 0.474 HH12 ' CE ' ' A' ' 531' ' ' LYS . 68.1 mtt85 -125.37 74.34 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 177.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . 0.536 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 172.29 -171.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.244 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -175.14 99.94 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.022 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 48.5 tp -133.33 114.12 13.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.137 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 30.2 m -117.08 119.45 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 111.229 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . 0.442 ' O ' ' CD1' ' A' ' 549' ' ' LEU . 98.7 t -115.1 111.98 44.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.01 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.2 132.86 33.11 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.824 2.349 . . . . 0.0 112.342 -174.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.454 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 40.9 mmm -119.0 111.79 18.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.205 175.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.2 t -120.04 123.82 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.952 -176.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.1 mt -112.89 139.74 36.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.918 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 58.9 t0 45.08 35.68 1.72 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.014 0.435 . . . . 0.0 109.834 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 1.1 m-20 68.71 25.77 6.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.381 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 542' ' ' ILE . 23.5 mt-30 -129.79 137.75 50.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.617 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . 0.601 ' CB ' HH21 ' A' ' 504' ' ' ARG . 12.8 tp -72.02 92.96 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -83.55 -38.78 21.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 -176.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . 0.55 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -159.44 179.66 34.87 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -177.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 550' ' ' LEU . 14.4 tp -151.28 136.6 17.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.712 0.291 . . . . 0.0 110.371 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 549' ' ' LEU . 24.2 tp -103.23 118.22 36.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.641 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.465 ' HA ' ' O ' ' A' ' 536' ' ' LEU . 4.5 mt -122.65 131.97 72.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.621 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.68 146.78 35.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.484 ' O ' ' O ' ' A' ' 459' ' ' ARG . 30.6 m80 -143.24 142.18 31.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.499 ' H ' ' HB1' ' A' ' 534' ' ' ALA . 16.2 mp0 -89.64 121.99 32.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.748 176.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -87.39 -12.56 45.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.334 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' SER . . . . . 0.406 ' OG ' ' OD2' ' A' ' 458' ' ' ASP . 78.7 p -99.07 -72.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.351 -178.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.79 160.66 46.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.512 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -48.26 159.01 0.81 Allowed 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.883 2.388 . . . . 0.0 112.027 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.616 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 43.7 ttt85 -154.56 150.62 27.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.655 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -110.71 108.59 18.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.458 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . 0.748 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.3 OUTLIER -82.95 118.19 23.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.737 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -69.09 159.38 33.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.342 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -56.8 -32.95 66.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.883 0.373 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 14.6 mm -67.19 -38.09 80.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.425 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.28 -31.46 72.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.551 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 24.8 mt -73.05 -42.04 59.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.538 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -52.78 -48.55 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -59.94 -40.38 88.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.521 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.1 m-85 -58.37 -40.83 83.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 66.8 m -60.07 -51.17 70.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.352 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . 0.446 ' O ' ' OG ' ' A' ' 574' ' ' SER . 78.8 mm-40 -63.21 -43.23 98.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.349 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.45 -53.31 58.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.528 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . 0.402 ' O ' ' CE ' ' A' ' 540' ' ' MET . . . -62.69 -41.35 99.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 571' ' ' GLU . 90.5 p -56.12 -34.25 65.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 27.7 m -55.62 -43.91 76.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.74 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.5 -45.61 89.33 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 3.8 m -52.22 -40.02 61.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.696 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.37 -48.58 80.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.641 -177.266 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . 0.467 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.845 0.355 . . . . 0.0 110.679 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 50.7 tp60 -68.19 -30.96 70.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.649 -177.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -70.27 -57.86 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 17.6 pt -44.52 -38.39 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.803 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . 0.417 ' HB3' ' CB ' ' A' ' 475' ' ' ALA . 27.1 m-85 -59.17 -44.92 92.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.035 178.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 97.4 mt-10 -55.89 -36.34 67.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 88.3 m -56.36 -33.51 65.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.061 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.445 ' N ' HD21 ' A' ' 447' ' ' LEU . 1.0 OUTLIER -83.21 -50.93 7.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.245 178.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.04 -39.63 83.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.115 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -62.36 -47.83 82.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.868 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -69.29 -40.98 77.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.82 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -55.12 -52.45 46.98 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 38.0 ptt85 -76.69 -28.61 55.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.711 0.291 . . . . 0.0 111.088 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -79.03 -55.61 5.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.702 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 66.2 mt -66.22 -43.9 85.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.714 -177.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.599 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 13.2 mt -86.37 -14.78 42.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.703 -178.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 59.57 53.8 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 72.4 m -94.17 157.2 16.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.744 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.423 ' OD2' ' OG ' ' A' ' 556' ' ' SER . 93.4 m-20 -78.05 -51.68 9.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.504 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 553' ' ' HIS . 45.8 ttt180 -142.54 142.49 32.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.564 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 35.0 m -146.11 135.31 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 17.0 mt -112.57 144.46 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.747 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 3.5 t -143.65 128.44 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.417 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 21.6 p90 -139.37 164.53 29.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.688 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -104.68 141.86 35.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.492 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 547' ' ' PHE . 1.4 m-85 -80.45 143.84 33.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.672 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -111.28 -170.89 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.495 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -80.79 -16.0 54.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.447 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -101.35 26.75 6.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.521 -178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . 0.491 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.5 m-85 55.76 20.84 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.39 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 94.6 t -108.89 130.37 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.622 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -80.85 174.75 54.88 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' THR . . . . . 0.406 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 93.5 m -147.12 105.22 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.572 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 34.7 t -65.65 82.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.653 -177.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.423 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 14.6 p -81.87 -21.59 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.348 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . 0.417 ' CB ' ' HB3' ' A' ' 444' ' ' PHE . . . -150.16 135.41 17.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.364 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -158.37 154.14 26.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.679 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 42.8 t -139.53 128.58 23.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.3 m -134.37 140.08 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.534 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -58.44 171.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . 0.593 ' CD ' ' H ' ' A' ' 480' ' ' GLU . 1.3 pm0 -74.05 125.64 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.459 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 113.49 -10.49 23.93 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -102.46 167.36 10.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 0.0 110.844 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -86.06 128.96 3.3 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 123.008 2.472 . . . . 0.0 111.907 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -91.01 148.33 22.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.685 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -112.12 -97.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.543 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 487' ' ' ASP . 34.5 mmm-85 60.03 122.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.707 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 10.9 t0 77.53 15.87 1.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.52 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -103.69 147.07 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 32.9 m -108.51 133.33 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.575 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 58.6 mt -101.58 119.65 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.669 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -110.57 94.21 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.319 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . 0.699 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 3.8 m-20 -132.71 78.35 66.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.746 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 493' ' ' PRO . . . . . 0.521 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 55.7 Cg_endo -71.32 35.19 0.28 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.806 2.338 . . . . 0.0 112.193 -177.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . 0.728 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -95.54 -78.5 0.45 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.511 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 495' ' ' PHE . . . . . 0.728 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 36.5 p90 -75.72 -53.1 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.318 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . 0.699 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 25.1 ptt180 -51.44 -14.1 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.607 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' GLU . . . . . 0.459 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 66.6 tt0 -89.83 -58.93 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.494 -177.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' HIS . . . . . 0.436 ' NE2' ' OE1' ' A' ' 497' ' ' GLU . 2.1 m80 -95.14 -46.59 6.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.439 -177.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -65.21 -3.76 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.46 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . 0.745 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 6.2 p -48.76 -67.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.507 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.745 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 23.1 pt-20 -47.06 -39.08 12.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.557 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.43 97.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -62.15 -40.72 96.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.632 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 12.0 mmt-85 -50.94 -34.12 27.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.671 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -77.55 -9.88 59.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.727 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 88.32 34.32 9.67 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 539' ' ' PRO . 22.1 mmt85 -71.58 155.49 40.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.614 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 7.3 tt -138.34 150.4 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.443 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . 0.59 HE22 ' CG ' ' A' ' 535' ' ' ASN . 0.7 OUTLIER -128.57 123.77 34.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.682 177.414 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . 0.755 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -115.75 111.81 21.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.416 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' THR . . . . . 0.561 ' OG1' ' OE1' ' A' ' 509' ' ' GLN . 1.5 m -131.61 111.55 11.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.685 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 513' ' ' ASP . 3.1 p -66.1 -55.05 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.482 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.7 t0 -104.43 97.62 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.621 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.623 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 46.7 pt -55.24 -10.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.391 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . 0.46 ' H ' ' C ' ' A' ' 513' ' ' ASP . 18.3 m-85 -76.43 -12.57 60.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.516 -178.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -101.31 -11.12 19.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.549 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -129.71 114.71 16.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . 0.735 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 99.5 45.29 2.17 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 23.9 mt -58.75 34.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.759 0.314 . . . . 0.0 110.647 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.735 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.2 OUTLIER -76.24 -173.62 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.421 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.561 ' H ' HG22 ' A' ' 520' ' ' THR . 18.4 pt-20 -107.95 -49.46 3.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.327 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . 0.629 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 8.1 p -71.04 -44.25 66.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.198 -177.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.629 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 74.7 t60 -56.86 -55.41 34.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.466 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.426 ' CD1' ' O ' ' A' ' 520' ' ' THR . 17.2 mt -53.63 -46.73 70.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.526 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 82.8 m-20 -72.23 -11.84 60.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.713 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . 0.414 HE21 ' HB3' ' A' ' 526' ' ' GLN . 4.1 tt0 -89.39 -31.24 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.627 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.98 -30.1 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.618 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.543 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 18.5 mtp180 -47.13 -59.23 5.67 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 12.8 Cg_endo -56.45 -28.64 74.31 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.876 2.384 . . . . 0.0 112.061 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 36.8 mt -85.62 -14.8 44.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 4.2 tptm 67.98 20.64 9.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 29.6 t -68.36 114.23 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.584 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -122.57 73.89 1.15 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . 0.623 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.32 -171.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.225 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . 0.59 ' CG ' HE22 ' A' ' 509' ' ' GLN . 10.4 t-20 -174.4 99.46 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 111.083 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 53.1 tp -134.78 114.72 12.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.177 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 27.2 m -118.85 120.73 64.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.165 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 60.1 t -119.27 99.81 50.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.99 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . 0.492 ' CG ' ' O ' ' A' ' 507' ' ' ARG . 31.8 Cg_exo -54.33 133.45 56.1 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.805 2.337 . . . . 0.0 112.367 -175.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.472 ' CE ' ' O ' ' A' ' 573' ' ' ALA . 44.4 mmm -114.96 113.95 24.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.227 175.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.7 t -120.01 127.81 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 545' ' ' GLN . 90.2 mt -114.24 136.77 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.954 178.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 58.1 t0 43.03 31.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.07 0.462 . . . . 0.0 109.844 -176.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 0.4 OUTLIER 75.99 25.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.415 179.439 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' GLN . . . . . 0.568 ' N ' ' O ' ' A' ' 542' ' ' ILE . 24.9 mt-30 -127.59 128.97 46.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.634 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 16.0 tp -66.66 92.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.54 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -84.85 -37.71 20.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.517 -176.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . 0.54 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -158.84 -179.46 33.71 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -176.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 31.1 tp -146.95 138.21 24.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.707 0.289 . . . . 0.0 110.355 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 20.7 tp -104.69 108.72 20.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.646 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.424 ' HB ' ' NE2' ' A' ' 553' ' ' HIS . 0.5 OUTLIER -116.89 131.22 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.635 -178.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . 0.487 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -121.65 147.05 46.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.556 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.487 ' CG ' ' C ' ' A' ' 552' ' ' ALA . 0.9 OUTLIER -152.19 151.88 31.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.671 179.157 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.666 ' NE2' HH11 ' A' ' 559' ' ' ARG . 22.8 mp0 -90.85 117.68 29.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.685 177.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -77.53 -8.45 57.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.303 -178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' SER . . . . . 0.423 ' OG ' ' OD2' ' A' ' 458' ' ' ASP . 55.2 p -99.18 -71.91 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.336 -178.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -142.09 159.23 59.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.483 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -48.0 163.37 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.922 2.415 . . . . 0.0 112.081 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.666 HH11 ' NE2' ' A' ' 554' ' ' GLN . 21.8 ttt-85 -159.78 152.96 22.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.69 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -111.48 109.2 19.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.445 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . 0.755 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.0 OUTLIER -78.79 116.04 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.684 177.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -68.39 162.44 25.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.364 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -58.16 -34.99 70.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.438 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.32 -39.6 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.427 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.588 ' OE1' ' N ' ' A' ' 565' ' ' GLU . 2.7 mp0 -62.76 -32.74 73.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.573 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 82.7 mt -66.44 -47.49 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -52.37 -48.39 65.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.599 ' OE1' ' N ' ' A' ' 568' ' ' GLN . 0.5 OUTLIER -61.11 -40.65 94.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 179.187 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 5.9 m-85 -58.57 -43.42 89.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.329 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 58.8 m -59.21 -50.98 71.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.358 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -64.75 -41.87 95.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.325 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.44 -55.46 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.549 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . 0.472 ' O ' ' CE ' ' A' ' 540' ' ' MET . . . -61.6 -44.07 97.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.541 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 80.7 p -55.59 -32.18 62.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.599 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 15.7 m -56.17 -43.47 78.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.72 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.93 -46.26 91.11 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 1.5 t -49.6 -44.81 47.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.67 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.6 mt -59.24 -41.87 89.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 98.7 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.647 -178.828 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . 0.481 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 4.3 ptp180 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.801 0.334 . . . . 0.0 110.659 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 61.1 tp60 -69.48 -31.5 69.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.635 -177.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 445' ' ' GLU . . . -70.4 -57.16 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -177.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 12.5 pt -43.33 -39.06 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.742 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 35.6 m-85 -62.19 -41.01 97.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 442' ' ' ALA . 49.6 tp10 -57.58 -36.37 71.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 94.9 m -60.73 -35.73 77.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.065 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.431 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.2 mt -80.28 -48.83 12.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . 0.504 ' CG1' ' OG ' ' A' ' 477' ' ' SER . 47.5 t -67.78 -39.4 81.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.125 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -61.21 -47.22 87.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.763 0.316 . . . . 0.0 110.863 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -69.41 -39.7 77.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.853 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -55.79 -52.42 48.66 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.439 -0.664 . . . . 0.0 111.439 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . 0.458 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 9.2 ptm180 -76.68 -29.98 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.065 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -77.49 -55.12 5.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.88 0.371 . . . . 0.0 110.751 -178.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 58.5 mt -67.54 -42.76 82.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.672 -177.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.612 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.7 mt -87.75 -15.26 37.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.682 -178.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 59.65 55.12 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 72.7 m -94.03 154.88 17.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.606 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -77.95 -50.71 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.45 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 553' ' ' HIS . 19.4 ttt180 -140.65 138.86 34.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.553 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 33.2 m -144.19 128.7 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.461 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 16.3 tt -113.91 139.01 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.766 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.02 129.6 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.404 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.505 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 24.8 p90 -141.14 142.82 34.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.707 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -83.05 145.93 29.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.388 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.4 m-85 -82.82 146.29 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.697 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -111.32 -172.55 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.464 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -80.13 -13.57 59.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.443 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -102.02 27.62 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.497 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . 0.599 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 7.0 m-85 54.85 18.04 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.333 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 44.3 t -108.79 133.07 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.71 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.403 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -83.02 173.42 52.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -177.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 89.4 m -148.1 111.83 5.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.778 0.323 . . . . 0.0 110.68 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 47.7 t -71.91 93.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.649 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.522 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 13.7 m -97.0 -20.1 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.339 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -148.5 131.57 16.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.384 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 486' ' ' ARG . 60.3 tt0 -157.74 153.15 26.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.675 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 477' ' ' SER . . . . . 0.504 ' OG ' ' CG1' ' A' ' 448' ' ' VAL . 82.5 p -137.52 126.26 23.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.579 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.84 143.01 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -60.88 172.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.71 177.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -73.59 127.49 32.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.425 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.65 -9.61 25.89 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . 0.449 ' CH2' ' O ' ' A' ' 555' ' ' ALA . 40.1 m95 -103.38 168.41 8.76 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.981 0.419 . . . . 0.0 110.798 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -84.96 129.34 3.93 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.972 2.448 . . . . 0.0 111.917 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -96.76 148.32 23.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.706 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 486' ' ' ARG . . . -115.85 -94.32 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 -179.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.447 ' CD ' ' H ' ' A' ' 476' ' ' GLU . 34.1 mmm-85 65.18 16.77 10.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.68 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -176.36 20.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -103.29 142.68 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.562 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 14.1 t -102.33 133.73 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.621 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 17.0 mt -102.04 118.65 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.743 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -118.71 88.14 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.255 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . 0.721 ' C ' ' HE ' ' A' ' 496' ' ' ARG . 7.3 m-20 -129.13 83.54 65.56 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 493' ' ' PRO . . . . . 0.413 ' HD3' ' NH2' ' A' ' 496' ' ' ARG . 61.5 Cg_endo -74.58 39.61 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.695 2.263 . . . . 0.0 112.223 -175.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . 0.756 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -97.9 -71.4 0.69 Allowed 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.198 179.307 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 495' ' ' PHE . . . . . 0.756 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 30.8 p90 -79.58 -52.54 7.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 118.864 0.756 . . . . 0.0 110.281 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . 0.721 ' HE ' ' C ' ' A' ' 492' ' ' ASP . 7.5 ptt180 -52.48 -13.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.657 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' GLU . . . . . 0.422 ' OE1' ' CD2' ' A' ' 498' ' ' HIS . 5.1 tm-20 -91.18 -58.69 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.573 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 494' ' ' CYS . 1.7 m80 -91.46 -38.33 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.45 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' TRP . . . . . 0.528 ' N ' ' O ' ' A' ' 495' ' ' PHE . 8.9 m95 -82.65 21.84 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.494 -178.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . 0.741 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 3.6 p -69.16 -70.45 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.52 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.741 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 21.8 pt-20 -48.85 -38.63 22.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.508 178.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -56.91 -44.26 82.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.1 m-85 -63.14 -40.84 98.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.592 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.599 ' NE ' ' O ' ' A' ' 544' ' ' ASP . 4.0 tpt180 -47.71 -33.6 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.715 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -80.37 -7.75 59.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.663 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 88.09 33.56 10.69 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . 0.534 ' O ' ' CG ' ' A' ' 539' ' ' PRO . 32.7 mmt180 -72.63 155.31 40.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 0.0 110.603 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 5.4 tt -137.11 152.04 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.425 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . 0.645 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 0.6 OUTLIER -131.36 121.39 24.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.689 177.257 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . 0.77 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -113.99 113.9 25.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.367 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' THR . . . . . 0.645 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.2 OUTLIER -130.22 109.2 10.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.614 177.822 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' THR . . . . . 0.519 ' OG1' ' NE2' ' A' ' 560' ' ' GLN . 60.0 m -62.96 -61.52 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.548 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.3 t0 -104.13 98.73 8.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.567 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 25.1 pt -54.45 -10.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.338 -177.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' ' 513' ' ' ASP . 18.0 m-85 -76.18 -13.65 60.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.419 -178.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -98.71 -11.68 21.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.573 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -132.39 116.49 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . 0.781 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 104.29 45.13 1.49 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 177.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 10.4 mt -57.23 30.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.722 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.781 ' H ' ' C ' ' A' ' 518' ' ' GLY . 72.9 p -77.56 -173.81 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.534 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.542 ' O ' ' ND2' ' A' ' 525' ' ' ASN . 21.0 pt-20 -110.03 -41.54 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.375 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 526' ' ' GLN . 6.2 t -70.41 -48.23 57.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.254 -178.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -56.07 -53.0 62.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.453 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 9.4 mt -57.76 -47.78 81.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 80.5 m-20 -72.39 -22.54 61.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.772 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 522' ' ' CYS . 5.0 tt0 -83.12 -30.44 27.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.624 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 8.9 mp -92.43 -33.8 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.569 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 6.2 mtp180 -43.2 -58.26 4.35 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.639 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 10.8 Cg_endo -55.15 -26.86 53.03 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.765 2.31 . . . . 0.0 112.052 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 24.6 mt -87.38 -8.6 56.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.545 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 531' ' ' LYS . 0.0 OUTLIER 54.07 27.16 7.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 7.9 t -75.71 124.24 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.474 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -127.05 75.41 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . 0.567 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.7 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.177 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . 0.541 ' ND2' ' OE1' ' A' ' 509' ' ' GLN . 24.6 t-20 -174.54 98.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.113 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 50.2 tp -134.02 113.2 11.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.196 177.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 18.4 m -124.35 120.97 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.26 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' A' ' 538' ' ' VAL . 8.7 p -119.68 107.46 40.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.976 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . 0.534 ' CG ' ' O ' ' A' ' 507' ' ' ARG . 31.5 Cg_exo -54.46 133.95 59.02 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.753 2.302 . . . . 0.0 112.4 -175.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 55.0 mmm -117.41 113.76 22.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.233 175.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.438 ' O ' ' CG2' ' A' ' 541' ' ' VAL . 4.0 m -122.53 125.11 72.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.957 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . 0.585 ' O ' ' N ' ' A' ' 545' ' ' GLN . 96.4 mt -104.07 139.97 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.863 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' ASP . . . . . 0.4 ' O ' ' CB ' ' A' ' 544' ' ' ASP . 84.7 m-20 43.17 30.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -176.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . 0.599 ' O ' ' NE ' ' A' ' 504' ' ' ARG . 18.4 t0 75.75 25.75 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.414 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' GLN . . . . . 0.585 ' N ' ' O ' ' A' ' 542' ' ' ILE . 24.0 mt-30 -126.75 125.12 41.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.677 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 17.2 tp -62.76 92.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.517 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.1 OUTLIER -88.62 -38.11 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.578 -176.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . 0.504 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -155.24 -179.99 30.81 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.416 HD11 ' H ' ' A' ' 550' ' ' LEU . 34.9 tp -148.51 137.48 21.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.739 0.304 . . . . 0.0 110.369 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . 0.416 ' H ' HD11 ' A' ' 549' ' ' LEU . 23.4 tp -105.43 116.32 31.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.666 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.448 ' CG2' ' NE2' ' A' ' 553' ' ' HIS . 6.2 mt -121.74 133.97 66.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.501 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.43 140.88 44.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.543 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.454 ' O ' ' O ' ' A' ' 459' ' ' ARG . 38.9 m80 -137.62 139.22 40.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.614 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.514 ' H ' ' HB1' ' A' ' 534' ' ' ALA . 40.6 mm-40 -90.46 115.92 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.693 175.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.449 ' O ' ' CH2' ' A' ' 482' ' ' TRP . . . -83.88 -10.69 57.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.349 -178.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 42.2 t -100.32 -72.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.313 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.16 158.56 54.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.512 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -47.87 160.16 0.5 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.865 2.377 . . . . 0.0 112.012 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.615 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 43.2 ttt85 -153.94 150.07 27.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.64 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . 0.519 ' NE2' ' OG1' ' A' ' 512' ' ' THR . 8.9 tp-100 -110.49 110.2 20.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.432 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . 0.77 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.1 OUTLIER -82.82 119.63 24.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 178.793 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -70.49 160.2 32.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.328 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -57.99 -35.4 71.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 110.539 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . 0.474 ' O ' ' OE1' ' A' ' 568' ' ' GLN . 32.9 mm -61.21 -41.42 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.452 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.14 -31.98 70.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.527 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . 0.42 HD12 HG23 ' A' ' 566' ' ' ILE . 29.7 mm -66.78 -46.2 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.558 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -51.35 -49.19 61.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.513 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.474 ' OE1' ' O ' ' A' ' 564' ' ' ILE . 10.9 mp0 -61.98 -39.75 93.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.489 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . 0.612 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.4 m-85 -57.86 -43.88 86.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.329 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' SER . . . . . 0.488 ' O ' ' OG ' ' A' ' 574' ' ' SER . 11.7 t -58.18 -52.87 63.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.413 -178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . 0.421 ' O ' ' OG1' ' A' ' 575' ' ' THR . 95.2 mt-10 -64.75 -40.62 95.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.36 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.1 -54.88 31.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.478 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.54 89.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' A' ' 570' ' ' SER . 74.7 m -57.36 -33.08 67.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.604 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 571' ' ' GLU . 55.1 m -57.14 -46.82 82.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.687 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -54.5 -45.12 77.59 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 1.9 t -51.52 -41.39 60.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.705 0.288 . . . . 0.0 110.615 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -57.99 -43.86 86.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.667 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.674 -179.141 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . 0.466 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 4.1 ptp85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.813 0.34 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . 0.543 ' CD ' HH21 ' A' ' 486' ' ' ARG . 42.4 tp60 -68.79 -29.98 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.679 -176.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.65 -57.84 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.613 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 13.8 pt -45.13 -38.56 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.786 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -59.42 -45.01 92.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.012 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 97.2 mt-10 -58.03 -34.65 70.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.145 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 71.9 m -60.59 -31.45 70.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.99 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 447' ' ' LEU . 1.9 mt -82.22 -49.0 10.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 74.3 t -69.99 -35.7 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.116 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -64.76 -48.08 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.788 0.328 . . . . 0.0 110.811 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -72.86 -36.74 67.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -58.05 -51.73 56.61 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -79.23 -29.49 42.75 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.991 -0.283 . . . . 0.0 111.053 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -76.69 -54.53 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.715 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 53.3 mt -69.27 -44.37 72.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.645 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.1 mt -84.62 -14.42 48.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.729 -178.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.62 55.71 3.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.371 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 76.6 m -94.61 152.85 18.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.694 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.435 ' OD2' ' OE1' ' A' ' 554' ' ' GLN . 80.1 m-20 -75.52 -53.55 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.49 -178.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.488 ' O ' ' O ' ' A' ' 553' ' ' HIS . 35.0 ttt180 -143.01 142.34 31.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.517 -177.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 34.4 m -147.05 135.21 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.467 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 15.1 mt -114.27 137.04 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.766 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.46 124.87 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.529 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 24.5 p90 -140.99 141.18 34.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.653 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -82.31 148.49 28.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.405 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.6 m-85 -81.64 147.21 29.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.603 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -111.57 -172.7 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.494 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 52.7 p30 -81.31 -10.9 59.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.467 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . 0.418 ' N ' ' OD1' ' A' ' 467' ' ' ASP . 92.7 m-20 -105.64 26.07 10.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.499 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . 0.447 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.2 m-85 55.47 20.71 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.382 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 23.0 t -110.06 131.93 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.63 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.425 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -78.39 170.1 54.68 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 64.1 m -145.72 105.84 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.53 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . 0.417 ' HB ' ' H ' ' A' ' 488' ' ' GLN . 19.1 t -68.81 96.91 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.687 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.475 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 11.6 p -94.17 -21.81 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.283 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.91 133.62 15.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.357 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -153.6 153.15 31.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.656 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 42.0 t -139.54 128.25 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.4 m -132.55 139.34 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 -177.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -55.69 170.02 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.704 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -73.85 125.58 28.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.441 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.72 -10.63 25.57 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -103.0 147.78 34.63 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.811 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -66.45 127.9 18.21 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.056 2.504 . . . . 0.0 111.892 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -88.23 147.14 24.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.779 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 486' ' ' ARG . . . -114.68 -96.23 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.543 HH21 ' CD ' ' A' ' 441' ' ' GLN . 20.6 ttt180 58.17 133.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.677 -178.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 68.79 21.13 7.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . 0.417 ' H ' ' HB ' ' A' ' 473' ' ' VAL . 26.3 mt-30 -104.35 151.84 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.492 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 8.8 p -108.69 129.29 63.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.684 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 54.0 mt -104.76 127.76 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.711 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' A' ' 492' ' ' ASP . 70.6 tt0 -118.53 96.96 5.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.284 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . 0.69 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 16.1 m-20 -135.55 82.51 39.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.738 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 493' ' ' PRO . . . . . 0.504 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 73.3 Cg_endo -78.09 40.97 0.94 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.721 2.281 . . . . 0.0 112.23 -175.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . 0.768 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -100.74 -75.48 0.58 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 118.956 -0.545 . . . . 0.0 109.843 178.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 495' ' ' PHE . . . . . 0.768 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 23.5 p90 -75.19 -51.59 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.067 0.394 . . . . 0.0 110.312 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . 0.69 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 29.2 ptt180 -54.24 -15.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.601 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 68.8 tt0 -89.82 -58.7 2.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.522 -178.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' HIS . . . . . 0.529 ' C ' ' H ' ' A' ' 500' ' ' VAL . 1.2 m80 -91.23 -46.8 7.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.455 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' ' 495' ' ' PHE . 12.0 m95 -73.73 21.74 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.548 -178.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . 0.734 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 3.6 p -67.35 -70.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.463 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.734 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 22.2 pt-20 -50.16 -39.13 42.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -55.08 -45.82 75.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.473 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.1 m-85 -62.44 -40.09 95.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.612 178.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.586 ' NE ' ' O ' ' A' ' 544' ' ' ASP . 5.7 tpt180 -48.89 -37.54 20.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.753 177.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -76.09 -8.06 56.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.692 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 90.2 34.6 8.03 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -76.22 155.33 34.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.824 0.345 . . . . 0.0 110.596 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.5 pt -139.15 159.14 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.516 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . 0.609 ' O ' ' NE2' ' A' ' 509' ' ' GLN . 0.0 OUTLIER -140.96 124.68 16.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.657 177.329 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . 0.742 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.02 118.31 32.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.388 -177.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' THR . . . . . 0.509 ' OG1' ' OE1' ' A' ' 509' ' ' GLN . 0.3 OUTLIER -128.56 107.24 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.711 177.233 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' THR . . . . . 0.443 ' OG1' ' OE1' ' A' ' 560' ' ' GLN . 99.6 m -61.31 -60.35 3.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.516 -178.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.586 ' OD1' ' N ' ' A' ' 513' ' ' ASP . 8.5 p-10 -105.07 99.91 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.598 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.601 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 40.4 pt -52.83 -8.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.32 -179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . 0.531 ' H ' ' C ' ' A' ' 513' ' ' ASP . 35.1 m-85 -82.24 7.3 14.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.503 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.74 -10.41 14.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.641 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -128.22 113.26 15.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . 0.715 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 81.54 46.16 6.99 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . 0.406 ' CD2' ' O ' ' A' ' 515' ' ' PHE . 11.7 mt -49.68 -1.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.708 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.715 ' H ' ' C ' ' A' ' 518' ' ' GLY . 35.2 m -153.58 128.47 9.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.534 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.621 ' HB3' ' O ' ' A' ' 520' ' ' THR . 6.1 pt-20 159.01 171.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.376 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 526' ' ' GLN . 25.5 p -65.76 -27.6 68.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.218 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -52.21 -50.37 62.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.48 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.42 -50.69 70.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.471 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -73.4 -20.72 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.752 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 522' ' ' CYS . 5.4 tt0 -87.15 -27.12 23.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.629 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 9.4 mp -101.11 -11.16 19.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.596 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 2.3 ttt85 -55.57 -44.81 99.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.644 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 12.7 Cg_exo -69.39 -25.68 30.08 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.846 2.364 . . . . 0.0 112.069 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 37.7 mt -85.76 -13.27 48.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.505 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.461 ' HZ1' ' NH2' ' A' ' 533' ' ' ARG . 6.1 tptp 63.53 25.09 14.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.498 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 7.0 t -69.57 112.29 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.526 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . 0.461 ' NH2' ' HZ1' ' A' ' 531' ' ' LYS . 75.1 mtt180 -122.34 74.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . 0.601 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.14 -170.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.266 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . 0.586 ' ND2' HE22 ' A' ' 509' ' ' GLN . 24.2 t30 -174.94 99.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 111.063 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 39.3 tp -134.25 113.63 12.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.149 177.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 19.4 m -115.58 121.84 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.228 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . 0.402 ' O ' ' CD1' ' A' ' 549' ' ' LEU . 69.4 t -119.92 112.69 34.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.902 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.88 133.86 37.82 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.812 2.341 . . . . 0.0 112.332 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 46.4 mmm -114.41 117.33 30.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.152 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 12.5 t -119.62 128.2 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.98 0.419 . . . . 0.0 110.894 -176.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . 0.617 ' O ' ' N ' ' A' ' 545' ' ' GLN . 28.6 mm -109.55 135.11 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.883 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 544' ' ' ASP . 58.8 t0 41.03 30.89 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.097 0.475 . . . . 0.0 109.857 -177.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . 0.586 ' O ' ' NE ' ' A' ' 504' ' ' ARG . 11.9 t0 80.25 25.59 0.34 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.474 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' GLN . . . . . 0.617 ' N ' ' O ' ' A' ' 542' ' ' ILE . 24.4 mt-30 -130.37 126.62 37.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.613 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.04 94.83 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.521 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.681 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -94.67 -30.7 14.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.572 -176.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . 0.681 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -155.73 -178.9 30.39 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -177.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.449 HD11 ' N ' ' A' ' 550' ' ' LEU . 11.2 tp -153.85 139.8 18.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.727 0.299 . . . . 0.0 110.393 -178.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . 0.449 ' N ' HD11 ' A' ' 549' ' ' LEU . 25.8 tp -107.75 119.39 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.663 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.638 ' CG2' ' HE2' ' A' ' 553' ' ' HIS . 1.9 mt -124.29 132.53 71.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . 0.473 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -117.79 148.03 42.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.638 ' HE2' ' CG2' ' A' ' 551' ' ' ILE . 0.4 OUTLIER -151.36 149.29 29.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.676 178.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.435 ' OE1' ' OD2' ' A' ' 458' ' ' ASP . 87.2 mm-40 -87.47 121.26 29.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.763 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -80.74 -9.5 59.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.281 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' SER . . . . . 0.412 ' OG ' ' OD2' ' A' ' 458' ' ' ASP . 58.8 p -99.72 -72.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.307 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -142.17 159.08 59.96 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.485 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -49.1 163.53 0.33 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.864 2.376 . . . . 0.0 112.031 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.57 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 37.1 ttt85 -159.07 151.85 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.662 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . 0.443 ' OE1' ' OG1' ' A' ' 512' ' ' THR . 67.8 tp60 -109.06 107.58 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.489 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . 0.742 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.2 OUTLIER -82.07 119.88 24.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.706 179.432 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -71.12 159.21 35.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.356 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -56.33 -33.39 65.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.446 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . 0.426 HG21 HD12 ' A' ' 564' ' ' ILE . 93.1 mt -66.67 -38.18 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.437 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.41 -32.49 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.618 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 23.0 mt -73.13 -42.44 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.556 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -51.13 -48.75 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.502 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.571 ' OE1' ' N ' ' A' ' 568' ' ' GLN . 0.5 OUTLIER -59.75 -41.55 91.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.539 179.313 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.7 m-85 -57.43 -41.17 79.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.429 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 65.5 m -60.03 -51.46 69.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.358 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.54 -43.16 97.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.354 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.39 -53.83 49.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.473 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.8 97.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' SER . . . . . 0.558 ' O ' ' OG ' ' A' ' 577' ' ' SER . 90.0 p -58.83 -33.35 70.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 23.8 m -49.82 -53.12 27.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.724 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -52.04 -39.85 50.04 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' SER . . . . . 0.558 ' OG ' ' O ' ' A' ' 574' ' ' SER . 11.3 p -49.46 -47.85 48.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.673 0.273 . . . . 0.0 110.686 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 12.3 mt -50.3 -41.42 50.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.731 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.602 -179.367 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . 0.5 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 2.9 ptp180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.798 0.333 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . 0.542 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 1.6 tm0? -67.83 -34.2 76.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.737 -177.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.16 -58.21 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.594 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 14.4 pt -43.21 -39.49 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.746 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 29.5 m-85 -59.35 -44.24 92.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.991 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . 0.506 ' OE2' ' NE2' ' A' ' 441' ' ' GLN . 96.5 mt-10 -54.96 -35.06 63.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 89.6 m -59.05 -34.82 72.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.992 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 447' ' ' LEU . 1.3 mt -79.14 -49.56 12.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.232 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.48 -37.22 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.113 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -63.16 -45.43 91.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.853 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 454' ' ' LEU . 4.1 mptt -72.37 -46.65 54.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.2 -49.37 31.0 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 35.5 ptt85 -76.97 -32.91 57.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.67 0.271 . . . . 0.0 111.069 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -78.32 -58.69 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.797 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 450' ' ' LYS . 46.5 mt -59.4 -41.74 90.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.692 -177.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.613 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.4 mt -90.51 -11.06 41.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.739 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 58.79 54.08 5.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.36 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.696 ' HG ' HE21 ' A' ' 554' ' ' GLN . 5.9 t -93.7 153.2 18.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.703 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -76.47 -50.91 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.492 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.534 ' O ' ' O ' ' A' ' 553' ' ' HIS . 26.7 ttt180 -141.6 140.56 33.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.561 -178.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 18.9 m -146.99 136.1 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.409 178.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 17.5 mt -114.74 142.22 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.801 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 5.7 t -139.24 127.26 26.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.454 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 26.1 p90 -140.21 159.05 43.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.671 -178.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -99.15 142.41 30.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.499 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 547' ' ' PHE . 1.7 m-85 -83.22 146.12 28.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -111.71 -171.26 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.512 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 54.3 p30 -82.82 -12.65 57.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.483 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 467' ' ' ASP . 91.8 m-20 -105.95 31.98 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.458 -178.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . 0.534 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 51.1 m-85 53.14 17.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.417 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 42.7 t -107.38 127.26 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.616 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -86.63 177.91 48.59 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' THR . . . . . 0.458 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 53.9 m -149.47 110.2 4.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.78 0.324 . . . . 0.0 110.632 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . 0.446 ' HB ' ' H ' ' A' ' 488' ' ' GLN . 43.1 t -69.43 84.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.67 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 28.3 m -80.23 -20.29 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.354 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.33 136.27 15.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.351 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -151.86 152.46 32.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.689 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 60.3 p -138.9 126.73 22.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.586 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.2 m -134.71 139.14 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.574 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -56.34 171.33 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.669 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -74.41 125.31 28.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.471 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.49 -10.8 26.06 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -102.2 148.07 34.87 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 110.774 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -63.51 128.65 22.94 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.922 2.414 . . . . 0.0 111.918 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -92.69 146.63 23.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.714 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -115.21 -96.89 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.655 HH11 ' CG ' ' A' ' 486' ' ' ARG . 0.0 OUTLIER 68.1 128.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.651 -178.791 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 473' ' ' VAL . 29.4 t0 67.15 26.21 8.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.53 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . 0.446 ' H ' ' HB ' ' A' ' 473' ' ' VAL . 73.5 mt-30 -101.99 146.32 28.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 178.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 46.1 t -101.59 129.43 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 48.0 mt -102.03 119.13 49.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.688 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . 0.428 ' O ' ' OD1' ' A' ' 492' ' ' ASP . 66.7 tt0 -115.56 93.85 4.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.303 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . 0.77 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 69.7 m-20 -134.33 80.11 53.19 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.708 179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 493' ' ' PRO . . . . . 0.522 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 58.6 Cg_endo -74.1 38.96 0.5 Allowed 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.821 2.347 . . . . 0.0 112.176 -176.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . 0.706 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -98.52 -78.21 0.5 Allowed 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.049 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 495' ' ' PHE . . . . . 0.706 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 31.2 p90 -75.82 -54.83 6.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.881 0.372 . . . . 0.0 110.328 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . 0.77 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 21.5 ptt180 -49.77 -13.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.639 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 495' ' ' PHE . 58.7 tt0 -91.09 -58.14 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.545 -177.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -95.75 -45.02 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.471 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -65.78 -3.54 5.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.477 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . 0.727 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 6.0 p -50.03 -66.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.519 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.727 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 21.4 pt-20 -48.15 -37.61 16.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.526 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.69 98.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.571 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.0 m-85 -61.58 -39.9 92.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.66 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.753 HH21 ' H ' ' A' ' 546' ' ' LEU . 1.7 mpt_? -50.93 -36.79 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.774 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -74.98 -10.17 59.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.689 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 90.12 35.44 7.6 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 178.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -77.53 154.2 32.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.784 0.326 . . . . 0.0 110.58 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . 0.441 ' CG1' ' N ' ' A' ' 509' ' ' GLN . 4.3 tt -139.39 155.93 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.452 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . 0.58 ' O ' ' NE2' ' A' ' 509' ' ' GLN . 0.7 OUTLIER -131.62 122.69 26.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.69 178.021 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . 0.774 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.46 114.19 23.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.383 -177.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -129.64 111.55 12.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.645 177.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' THR . . . . . 0.488 ' OG1' ' NE2' ' A' ' 560' ' ' GLN . 61.7 m -62.78 -58.23 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.51 -179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' A' ' 515' ' ' PHE . 38.7 t0 -106.61 99.9 9.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.585 -178.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.653 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 43.6 pt -54.33 -11.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.347 -178.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . 0.464 ' H ' ' C ' ' A' ' 513' ' ' ASP . 16.9 m-85 -74.23 -12.91 60.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.436 -177.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -100.23 -13.67 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.83 115.99 17.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.515 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . 0.719 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 102.64 43.96 1.89 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.99 34.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.728 0.299 . . . . 0.0 110.676 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.719 ' H ' ' C ' ' A' ' 518' ' ' GLY . 40.7 m -75.95 179.6 5.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.54 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.67 ' H ' ' CG2' ' A' ' 520' ' ' THR . 7.2 pt-20 -104.04 -48.69 3.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.37 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 13.7 p -72.29 -44.15 63.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.222 -177.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.609 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 2.4 t60 -58.77 -55.38 35.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.393 -177.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 520' ' ' THR . 38.8 mt -52.17 -46.0 65.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.495 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 80.7 m-20 -72.53 -9.69 58.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.79 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -90.86 -28.81 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.619 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 527' ' ' LEU . 9.2 mp -96.85 -20.12 18.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.589 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 2.8 ttt180 -54.34 -45.42 99.28 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.69 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 12.4 Cg_exo -69.12 -29.21 27.31 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.8 2.333 . . . . 0.0 112.076 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.441 ' O ' ' NH1' ' A' ' 459' ' ' ARG . 35.4 mt -85.28 -13.02 51.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.51 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? 65.2 23.62 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.465 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 13.7 t -70.58 114.56 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.522 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -123.78 73.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.588 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . 0.653 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 172.08 -169.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.19 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . 0.54 ' ND2' ' OE1' ' A' ' 509' ' ' GLN . 19.6 t-20 -172.86 101.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 111.032 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 61.5 tp -136.73 112.37 9.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.125 177.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 35.1 m -117.17 120.16 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.976 0.417 . . . . 0.0 111.163 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' A' ' 549' ' ' LEU . 2.1 t -115.91 109.6 44.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.998 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -62.83 133.28 41.02 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.799 2.332 . . . . 0.0 112.33 -174.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 70.8 mmm -125.46 102.35 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.207 176.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.45 ' O ' ' CG2' ' A' ' 541' ' ' VAL . 3.6 m -117.48 123.02 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.979 -176.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 545' ' ' GLN . 75.3 mt -105.7 141.88 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.913 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 45.27 41.07 5.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 61.81 26.52 16.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.477 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 542' ' ' ILE . 7.7 tt0 -127.47 132.81 49.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.589 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . 0.753 ' H ' HH21 ' A' ' 504' ' ' ARG . 18.3 tp -68.43 92.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.525 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 465' ' ' PHE . 0.0 OUTLIER -81.89 -41.15 21.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.583 -177.557 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . 0.446 ' N ' ' CD2' ' A' ' 547' ' ' PHE . . . -162.59 -179.48 37.21 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -177.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.438 ' CD1' ' O ' ' A' ' 538' ' ' VAL . 14.5 tp -147.62 139.07 23.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.773 0.32 . . . . 0.0 110.353 -178.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . 0.403 ' N ' HD13 ' A' ' 549' ' ' LEU . 21.7 tp -103.23 110.25 22.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.444 ' HA ' ' O ' ' A' ' 536' ' ' LEU . 0.2 OUTLIER -115.78 132.03 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 -178.776 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . 0.485 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -122.26 147.94 45.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.534 ' O ' ' O ' ' A' ' 459' ' ' ARG . 1.2 m80 -151.99 149.15 28.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.696 HE21 ' HG ' ' A' ' 457' ' ' CYS . 24.4 mp0 -94.55 108.98 20.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.729 177.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.92 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.319 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 557' ' ' GLU . 93.4 p -67.82 -72.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.268 -178.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.454 ' N ' ' OG ' ' A' ' 556' ' ' SER . 41.8 mt-10 -146.49 159.42 44.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.479 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -46.31 162.44 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.946 2.431 . . . . 0.0 112.038 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.62 ' NH1' ' NE2' ' A' ' 554' ' ' GLN . 23.4 ttt-85 -159.13 153.08 23.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.692 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . 0.488 ' NE2' ' OG1' ' A' ' 512' ' ' THR . 9.4 tp-100 -111.83 109.78 19.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.516 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . 0.774 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.1 OUTLIER -80.53 117.49 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.7 178.061 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -68.77 161.23 28.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.37 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -58.38 -34.98 71.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.472 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 37.1 mm -63.9 -38.78 83.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.465 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.15 -33.08 74.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.498 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.37 -45.74 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.587 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -52.53 -48.2 66.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.579 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.597 ' OE1' ' N ' ' A' ' 568' ' ' GLN . 0.5 OUTLIER -61.71 -40.12 93.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.291 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . 0.613 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.4 m-85 -57.48 -42.48 82.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.371 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 11.2 t -59.92 -51.34 70.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.374 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -63.19 -42.35 99.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.365 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 16.4 tp -62.27 -52.5 63.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.489 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -64.25 -42.16 96.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.623 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.7 p -56.05 -32.62 64.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.571 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.0 m -59.08 -43.37 91.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.762 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.27 -46.06 87.08 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 1.5 t -50.2 -43.45 52.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.729 0.3 . . . . 0.0 110.712 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -56.25 -42.2 77.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.67 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.55 -179.175 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . 0.475 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 4.6 ptp180 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.793 0.33 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . 0.519 ' OE1' ' NH2' ' A' ' 486' ' ' ARG . 61.4 tp60 -68.74 -29.34 67.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.708 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.17 -58.01 4.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.61 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 13.8 pt -45.19 -38.43 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . 0.403 ' N ' HG13 ' A' ' 443' ' ' ILE . 31.1 m-85 -61.18 -46.44 90.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.011 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 77.6 mm-40 -52.27 -37.9 56.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.02 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 97.1 m -60.33 -46.25 90.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.999 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.427 ' N ' HD21 ' A' ' 447' ' ' LEU . 1.7 mt -62.04 -53.82 50.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.37 -38.25 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.148 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -62.43 -45.91 90.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.821 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -70.91 -43.1 68.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.827 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -51.53 -50.49 41.85 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 9.4 ptm180 -77.97 -30.63 50.36 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.071 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -77.89 -55.76 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.738 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 39.7 mt -65.76 -41.41 92.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.682 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 11.9 mt -89.86 -13.22 36.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.803 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 58.99 55.33 4.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.339 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 76.0 m -95.12 154.78 17.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.741 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -77.7 -51.59 10.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.493 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 553' ' ' HIS . 21.8 ttt180 -139.06 140.24 38.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 19.7 m -145.82 133.04 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.515 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 25.3 mt -114.9 137.53 48.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.829 -178.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 2.6 t -135.71 126.23 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.466 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 27.0 p90 -140.65 145.35 36.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.609 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -85.39 146.55 26.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.411 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 547' ' ' PHE . 1.9 m-85 -82.18 147.36 29.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -111.85 -172.18 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.549 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 58.8 p30 -81.65 -12.48 58.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 467' ' ' ASP . 83.4 m-20 -104.75 28.07 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.497 -179.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . 0.424 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 7.4 m-85 54.61 19.71 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.394 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 39.1 t -109.48 129.13 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.572 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.423 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -79.53 173.35 55.17 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -177.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 68.8 m -147.39 107.1 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.64 92.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.737 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.512 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 15.0 p -89.26 -21.81 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.362 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.75 137.57 16.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.431 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -154.93 152.96 30.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.704 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 57.7 m -139.97 127.99 22.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.633 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.14 142.32 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.591 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -58.16 172.83 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.684 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -75.49 126.13 30.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.442 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 113.83 -12.8 22.53 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -99.8 167.9 10.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.811 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -85.52 127.85 3.34 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 123.046 2.497 . . . . 0.0 111.887 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -90.54 147.44 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.694 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -113.87 -105.03 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.656 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.519 ' NH2' ' OE1' ' A' ' 441' ' ' GLN . 0.0 OUTLIER 67.27 124.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.671 -178.366 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 18.0 t0 73.78 18.35 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.575 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -102.55 149.46 24.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.553 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 7.8 p -105.13 128.77 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 70.1 mt -104.01 119.38 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.708 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . 0.429 ' HA ' HH12 ' A' ' 496' ' ' ARG . 87.4 mt-10 -111.5 95.1 5.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.324 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . 0.654 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 0.3 OUTLIER -130.8 75.42 78.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 179.192 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 493' ' ' PRO . . . . . 0.576 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 46.2 Cg_endo -70.16 32.51 0.2 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.758 2.305 . . . . 0.0 112.174 -178.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . 0.769 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -92.78 -77.83 0.43 Allowed 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.89 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 495' ' ' PHE . . . . . 0.769 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 24.9 p90 -76.66 -50.84 12.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 0.0 110.343 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . 0.654 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 26.6 ptt180 -52.93 -14.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.655 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' GLU . . . . . 0.454 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 74.4 tt0 -89.89 -58.89 2.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.563 -178.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' HIS . . . . . 0.489 ' C ' ' H ' ' A' ' 500' ' ' VAL . 3.4 m80 -92.66 -42.81 9.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.453 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' TRP . . . . . 0.459 ' N ' ' O ' ' A' ' 495' ' ' PHE . 12.7 m95 -75.51 22.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 -178.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . 0.737 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 4.1 p -71.47 -69.38 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.737 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 20.4 mt-10 -47.7 -38.26 14.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -59.02 -44.16 91.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 506' ' ' GLY . 3.8 m-85 -62.43 -40.66 97.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.585 HH21 ' CB ' ' A' ' 546' ' ' LEU . 15.3 mmt85 -49.25 -35.47 17.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -77.52 -8.77 58.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 89.11 35.62 8.05 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -78.39 155.46 29.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.628 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.8 pt -137.64 157.32 33.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.439 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . 0.604 ' NE2' ' ND2' ' A' ' 535' ' ' ASN . 1.4 tm0? -134.25 119.57 18.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.638 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . 0.721 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -112.59 113.53 25.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.361 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' THR . . . . . 0.548 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.0 OUTLIER -128.04 106.03 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.645 178.017 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 64.4 m -61.91 -62.04 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.494 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.516 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.9 t0 -102.89 96.71 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.541 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 43.9 pt -51.85 -10.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.309 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . 0.516 ' H ' ' C ' ' A' ' 513' ' ' ASP . 23.3 m-85 -78.58 3.12 17.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.483 -178.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -115.58 -13.56 11.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.633 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.03 114.53 15.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.586 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . 0.709 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 100.17 44.84 2.13 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 178.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.34 35.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 0.0 110.608 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.709 ' H ' ' C ' ' A' ' 518' ' ' GLY . 2.4 m -76.84 -172.63 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.494 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.559 ' H ' ' CG2' ' A' ' 520' ' ' THR . 21.2 pt-20 -112.6 -43.35 3.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.352 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 521' ' ' GLU . 49.8 t -70.51 -40.3 73.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.213 -178.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -61.02 -54.32 46.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.422 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.68 -46.37 63.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.434 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -72.81 -8.34 55.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.743 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -92.45 -30.33 15.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.592 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 10.9 mp -98.36 -29.2 13.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.582 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.523 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 7.7 mtp180 -41.39 -59.06 2.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.649 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 18.2 Cg_endo -60.91 -24.56 79.62 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.792 2.328 . . . . 0.0 112.074 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 26.5 mt -86.23 -11.56 52.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.522 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 531' ' ' LYS . 0.0 OUTLIER 54.12 27.59 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.55 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 5.9 t -76.09 124.66 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . 0.437 ' HE ' ' HD3' ' A' ' 558' ' ' PRO . 27.9 mtp85 -124.57 73.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 178.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . 0.541 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.25 -174.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.251 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . 0.604 ' ND2' ' NE2' ' A' ' 509' ' ' GLN . 42.7 t-20 -177.31 100.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.03 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 28.8 tp -132.26 118.49 19.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.118 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 34.9 m -116.8 122.89 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.193 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . 0.435 ' O ' ' CD1' ' A' ' 549' ' ' LEU . 73.5 t -120.43 111.39 34.98 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.947 178.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.31 133.1 33.73 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.778 2.319 . . . . 0.0 112.321 -173.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.448 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 66.4 mmm -117.45 109.18 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.262 175.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.1 t -118.88 124.92 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.961 0.41 . . . . 0.0 110.956 -175.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 545' ' ' GLN . 88.0 mt -113.27 139.68 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.845 177.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 44.98 35.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.056 0.455 . . . . 0.0 109.811 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 0.9 OUTLIER 68.96 25.37 6.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.445 179.33 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 542' ' ' ILE . 8.5 tt0 -127.58 136.33 51.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . 0.585 ' CB ' HH21 ' A' ' 504' ' ' ARG . 14.9 tp -72.8 93.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.543 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -86.54 -37.97 17.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.58 -176.791 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . 0.577 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -157.03 -178.94 31.58 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 538' ' ' VAL . 15.4 tp -153.3 138.23 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.704 0.288 . . . . 0.0 110.354 -178.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . 0.425 ' N ' HD13 ' A' ' 549' ' ' LEU . 22.9 tp -105.13 116.88 32.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.678 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.419 ' CG2' ' NE2' ' A' ' 553' ' ' HIS . 5.0 mt -121.39 132.38 70.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.555 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.94 146.66 36.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.634 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.537 ' O ' ' O ' ' A' ' 459' ' ' ARG . 34.1 m80 -142.99 135.65 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.513 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 19.4 mp0 -96.96 103.04 14.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.799 176.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.33 86.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.307 -177.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 33.4 t -60.38 -72.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.325 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.13 161.7 29.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.536 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . 0.437 ' HD3' ' HE ' ' A' ' 533' ' ' ARG . 5.4 Cg_endo -46.13 157.92 0.36 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.888 2.392 . . . . 0.0 112.024 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.568 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 43.1 ttt85 -155.02 150.47 27.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.52 109.42 19.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.449 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . 0.721 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.2 OUTLIER -82.1 118.56 23.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.763 178.209 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -70.78 160.97 31.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.323 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.13 -33.35 67.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.466 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . 0.445 HG23 HE21 ' A' ' 568' ' ' GLN . 22.0 mm -63.48 -39.74 86.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.436 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.576 ' OE1' ' N ' ' A' ' 565' ' ' GLU . 3.1 mp0 -62.11 -32.34 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.609 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 20.4 mm -67.62 -44.87 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . 0.44 ' O ' ' OG ' ' A' ' 570' ' ' SER . 93.8 m-20 -53.76 -49.37 68.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.565 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.445 HE21 HG23 ' A' ' 564' ' ' ILE . 40.8 mt-30 -59.54 -41.4 89.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . 0.626 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 6.2 m-85 -58.28 -42.28 86.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.438 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 567' ' ' ASP . 60.0 p -60.19 -53.35 58.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.417 -178.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . 0.436 ' O ' ' OG1' ' A' ' 575' ' ' THR . 79.1 mm-40 -62.34 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.355 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 39.4 tp -63.3 -53.93 45.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.52 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.02 88.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.533 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.3 p -58.12 -31.92 67.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 571' ' ' GLU . 49.0 m -56.72 -49.01 76.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.729 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -54.27 -44.41 75.42 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -41.01 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.649 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.38 -42.6 87.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.612 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.639 -178.668 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . 0.476 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 2.2 ptp180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.747 0.308 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . 0.559 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 34.5 tp60 -68.9 -29.41 67.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.64 -177.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.39 -57.57 5.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . 0.523 ' O ' ' OG1' ' A' ' 446' ' ' THR . 15.7 pt -45.43 -36.49 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.712 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 36.1 m-85 -64.75 -45.19 87.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 45.1 tp10 -51.74 -37.63 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.025 -178.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 443' ' ' ILE . 69.5 p -61.61 -47.18 86.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.05 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 4.5 mt -57.78 -52.26 66.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 1.4 t -70.88 -35.89 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.17 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -66.63 -48.2 70.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.879 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -71.86 -43.16 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -51.84 -48.98 49.75 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -78.76 -30.07 45.46 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.059 -178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -78.31 -59.59 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.65 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.78 -41.45 97.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.754 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.585 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.3 mt -89.88 -10.75 44.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.719 -178.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 58.5 54.97 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.426 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 4.8 t -94.24 156.4 16.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.66 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -80.86 -50.36 9.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.446 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 553' ' ' HIS . 25.0 ttt180 -142.04 136.52 30.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.596 -178.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.58 131.47 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.455 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.99 141.58 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.774 -176.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 2.3 t -133.58 130.12 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.419 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 18.6 p90 -137.37 159.23 42.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.717 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -101.6 142.23 33.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.437 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -80.59 144.27 32.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.626 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -111.61 -171.07 1.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.483 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -81.26 -15.42 55.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.421 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -102.48 27.12 7.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.557 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . 0.488 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.6 m-85 55.24 20.27 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.358 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . 0.41 ' HA ' ' NH1' ' A' ' 496' ' ' ARG . 65.8 t -107.11 126.77 63.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.608 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.409 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -77.72 173.97 54.91 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -177.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' THR . . . . . 0.412 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 70.5 m -147.26 106.3 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.593 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.19 83.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.688 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.559 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 33.4 m -78.15 -20.81 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -154.82 142.71 20.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.378 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -158.56 154.18 26.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.68 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 40.4 m -138.87 128.74 25.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.533 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.52 142.74 37.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.588 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -59.01 171.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.77 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -73.99 126.26 30.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.482 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 113.03 -11.48 24.69 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . 0.522 ' CH2' ' O ' ' A' ' 555' ' ' ALA . 43.8 m95 -100.87 168.05 9.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 178.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -86.44 127.9 2.91 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.027 2.485 . . . . 0.0 111.911 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -89.49 147.4 24.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.728 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -111.11 -108.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.631 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.54 ' NH2' ' OE1' ' A' ' 441' ' ' GLN . 0.0 OUTLIER 68.63 122.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.723 -178.439 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 10.1 t0 79.07 14.56 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -102.85 145.82 29.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 33.0 m -104.48 130.58 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.641 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 79.4 mt -99.88 117.08 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.715 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -110.57 92.21 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.274 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . 0.649 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 7.1 m-20 -128.82 75.86 79.57 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.731 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 493' ' ' PRO . . . . . 0.524 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 37.5 Cg_endo -67.13 30.32 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.708 2.272 . . . . 0.0 112.206 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . 0.759 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -92.82 -80.6 0.37 Allowed 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.074 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 495' ' ' PHE . . . . . 0.759 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 19.7 p90 -75.3 -52.58 10.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.361 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . 0.656 ' N ' ' CG ' ' A' ' 495' ' ' PHE . 21.2 ptt180 -51.07 -13.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.628 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' GLU . . . . . 0.468 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 65.0 tt0 -90.89 -58.0 2.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.575 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' HIS . . . . . 0.473 ' C ' ' H ' ' A' ' 500' ' ' VAL . 2.1 m80 -94.19 -41.31 9.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.492 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' TRP . . . . . 0.462 ' N ' ' O ' ' A' ' 495' ' ' PHE . 9.8 m95 -74.42 14.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.485 -177.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . 0.728 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 3.6 p -65.13 -69.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.517 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.728 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 86.6 tt0 -48.1 -37.94 16.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -58.32 -44.94 88.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.557 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . 0.432 ' O ' ' N ' ' A' ' 506' ' ' GLY . 3.7 m-85 -61.69 -40.43 94.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.569 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.612 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.4 mmt85 -50.24 -35.32 26.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 178.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -76.86 -9.39 58.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.661 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 89.11 35.41 8.16 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -77.44 156.58 31.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.617 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.7 pt -137.48 155.29 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.45 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . 0.646 HE22 ' HG1' ' A' ' 511' ' ' THR . 0.9 OUTLIER -129.97 120.22 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.678 177.514 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . 0.769 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.83 114.25 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.337 -178.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' THR . . . . . 0.646 ' HG1' HE22 ' A' ' 509' ' ' GLN . 0.2 OUTLIER -128.76 109.38 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.708 177.338 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 99.6 m -62.19 -56.86 14.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.51 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.538 ' C ' ' H ' ' A' ' 515' ' ' PHE . 42.9 t0 -110.68 99.85 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.607 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.552 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 35.2 pt -52.12 -9.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.356 -177.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . 0.538 ' H ' ' C ' ' A' ' 513' ' ' ASP . 24.2 m-85 -82.05 5.97 17.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.401 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -116.98 -16.88 10.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.654 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.25 115.42 16.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . 0.748 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 105.02 44.86 1.44 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.43 33.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.66 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.748 ' H ' ' C ' ' A' ' 518' ' ' GLY . 28.0 p -75.92 -173.56 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.456 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -112.51 -62.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.357 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . . . . . . . . . 41.9 t -55.48 -34.69 64.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.257 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -63.49 -54.4 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.448 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 11.9 mt -51.2 -46.78 62.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.555 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -71.94 -9.73 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.749 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -91.82 -29.65 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.625 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 11.0 mp -95.27 -30.14 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.641 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.55 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 0.0 OUTLIER -43.31 -57.46 5.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.649 -179.729 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 20.7 Cg_endo -61.39 -26.23 81.11 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.804 2.336 . . . . 0.0 112.067 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 21.3 mt -87.62 -11.44 48.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.536 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 531' ' ' LYS . 3.4 ttmm 54.36 28.47 9.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 10.0 t -75.36 124.83 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.58 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 77.5 mtt-85 -127.57 74.95 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.54 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . 0.552 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 170.85 -171.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.225 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . 0.546 ' ND2' ' NE2' ' A' ' 509' ' ' GLN . 15.9 t-20 -174.57 99.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.09 178.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . 0.442 ' CD1' ' CD1' ' A' ' 561' ' ' TRP . 14.7 tp -132.59 111.61 11.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.16 177.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 27.3 m -121.32 120.09 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.181 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . 0.42 ' O ' ' CG1' ' A' ' 538' ' ' VAL . 14.5 p -117.68 114.73 37.65 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.034 177.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.22 135.15 49.02 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.813 2.342 . . . . 0.0 112.298 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.431 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 72.7 mmm -116.58 108.0 15.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.249 175.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 8.7 t -118.2 127.75 75.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.942 0.401 . . . . 0.0 110.942 -175.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 545' ' ' GLN . 96.7 mt -114.85 139.01 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.936 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 59.6 t0 44.44 32.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.081 0.467 . . . . 0.0 109.799 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 22.0 t0 73.04 26.3 2.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.484 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 542' ' ' ILE . 25.1 mt-30 -129.38 137.78 51.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.593 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . 0.612 ' CB ' HH21 ' A' ' 504' ' ' ARG . 13.3 tp -74.27 94.06 2.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.501 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.587 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -86.05 -39.42 16.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.483 -177.016 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . 0.587 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -154.51 -179.47 29.8 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -176.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.431 HD13 ' H ' ' A' ' 550' ' ' LEU . 43.9 tp -152.29 135.71 15.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.351 -177.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . 0.431 ' H ' HD13 ' A' ' 549' ' ' LEU . 25.6 tp -106.85 118.48 36.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.664 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.466 HG21 ' HE2' ' A' ' 553' ' ' HIS . 6.6 mt -123.44 134.94 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.582 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.1 142.68 41.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.466 ' HE2' HG21 ' A' ' 551' ' ' ILE . 31.2 m80 -137.86 138.31 38.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.677 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.525 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 48.0 mm-40 -90.28 112.82 24.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.734 176.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.522 ' O ' ' CH2' ' A' ' 482' ' ' TRP . . . -81.13 -11.13 59.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.267 -178.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 68.4 p -99.04 -73.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.305 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.71 158.46 49.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -47.68 158.64 0.68 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.879 2.386 . . . . 0.0 112.062 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.58 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 48.8 ttt85 -152.25 148.35 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . 0.719 ' N ' HE21 ' A' ' 560' ' ' GLN . 0.0 OUTLIER -107.75 108.91 20.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.478 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . 0.769 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.3 OUTLIER -84.95 122.66 29.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.717 179.203 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -73.01 159.76 33.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.378 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -57.1 -33.28 67.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.437 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.45 -37.98 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.473 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.95 -32.53 73.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.575 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 17.5 mm -67.14 -46.97 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.596 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -50.6 -47.81 57.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.528 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -60.66 -41.68 95.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.526 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . 0.585 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 5.2 m-85 -57.83 -42.94 85.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.462 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 67.0 m -60.39 -52.08 66.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.304 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . 0.434 ' O ' ' OG ' ' A' ' 574' ' ' SER . 96.1 mt-10 -63.5 -42.9 98.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.354 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.43 -54.21 46.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.491 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.39 96.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' SER . . . . . 0.595 ' O ' ' OG ' ' A' ' 577' ' ' SER . 93.9 p -55.32 -37.48 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.647 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' THR . . . . . 0.538 HG23 ' N ' ' A' ' 576' ' ' GLY . 0.7 OUTLIER -53.43 -40.21 64.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.674 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . 0.538 ' N ' HG23 ' A' ' 575' ' ' THR . . . -62.49 -47.48 89.08 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' SER . . . . . 0.595 ' OG ' ' O ' ' A' ' 574' ' ' SER . 0.1 OUTLIER -51.89 -41.09 61.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.732 0.301 . . . . 0.0 110.691 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 574' ' ' SER . 10.7 mt -54.75 -43.41 72.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.621 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 61.2 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.596 -179.035 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . 0.487 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 3.9 ptp180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.755 0.312 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . 0.545 ' CD ' HH21 ' A' ' 486' ' ' ARG . 67.9 tp60 -68.38 -29.85 68.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.65 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -67.09 -56.31 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.627 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 13.7 pt -48.66 -39.42 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.746 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' PHE . . . . . 0.422 ' N ' HG13 ' A' ' 443' ' ' ILE . 30.7 m-85 -60.26 -48.91 79.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 97.9 mt-10 -51.61 -37.37 49.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 61.3 m -60.49 -44.69 95.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.013 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . 0.432 ' N ' HD21 ' A' ' 447' ' ' LEU . 3.4 mt -61.99 -53.73 51.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.151 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 1.6 t -69.31 -39.19 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.14 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -66.91 -47.15 72.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.779 -178.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -71.37 -43.36 67.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.872 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . 0.431 ' O ' ' HG ' ' A' ' 455' ' ' LEU . . . -53.14 -46.91 61.8 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' ARG . . . . . 0.41 ' NH1' ' CB ' ' A' ' 452' ' ' ARG . 4.6 ptm85 -78.94 -26.39 43.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.734 0.302 . . . . 0.0 111.074 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -74.5 -57.06 4.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.696 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.35 -44.48 71.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.718 -177.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.593 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.6 mt -81.68 -16.69 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.745 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.28 54.4 3.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.382 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 19.3 t -92.21 161.12 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.662 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -86.35 -50.95 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.447 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 553' ' ' HIS . 42.8 ttt180 -142.34 139.46 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 -178.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.23 135.83 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.496 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 16.0 mt -114.88 137.8 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.918 0.389 . . . . 0.0 110.785 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 2.9 t -133.15 122.82 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.427 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 26.6 p90 -140.63 141.39 35.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.711 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -82.34 148.59 28.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.395 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.3 m-85 -82.06 149.35 28.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.666 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 42.4 t0 -110.68 -173.99 2.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.534 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . 0.543 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 85.5 m-20 -80.17 -14.89 58.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.482 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -104.35 29.33 6.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.449 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 469' ' ' TYR . . . . . 0.562 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 40.7 m-85 55.79 18.26 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.445 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 54.3 t -108.96 129.92 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.603 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -82.87 174.32 52.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 -177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 90.0 m -148.05 109.26 4.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 0.0 110.575 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 48.6 t -68.01 95.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.697 -177.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 8.8 p -91.86 -21.92 6.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.421 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.68 138.4 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.434 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -155.63 151.29 27.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.668 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 18.7 m -136.21 124.65 23.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.11 143.46 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 -178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -60.4 171.24 1.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.757 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -73.2 127.85 33.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.467 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.8 -9.63 25.57 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -105.03 167.96 9.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.923 0.392 . . . . 0.0 110.822 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -84.8 129.85 4.15 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.033 2.489 . . . . 0.0 111.912 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -97.69 147.53 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.78 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -114.47 -96.17 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.607 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.545 HH21 ' CD ' ' A' ' 441' ' ' GLN . 0.0 OUTLIER 67.08 31.91 6.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.697 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 487' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 487' ' ' ASP . 1.0 OUTLIER 168.0 22.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.521 179.107 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -104.31 144.52 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.551 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 6.0 p -105.41 134.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.62 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 80.3 mt -107.95 130.67 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.669 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . 0.424 ' HA ' HH12 ' A' ' 496' ' ' ARG . 94.1 mt-10 -124.55 94.87 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.333 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . 0.721 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 9.5 m-20 -131.52 81.77 63.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.681 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 493' ' ' PRO . . . . . 0.589 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 59.4 Cg_endo -73.96 36.65 0.41 Allowed 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.746 2.297 . . . . 0.0 112.162 -177.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . 0.663 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -96.86 -76.76 0.5 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.258 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 495' ' ' PHE . . . . . 0.663 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 35.2 p90 -76.44 -53.78 7.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.918 0.389 . . . . 0.0 110.31 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . 0.721 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 26.4 ptt180 -50.44 -13.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.633 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' GLU . . . . . 0.545 ' OE1' ' CD2' ' A' ' 498' ' ' HIS . 5.6 tm-20 -91.57 -57.87 2.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.514 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' HIS . . . . . 0.545 ' CD2' ' OE1' ' A' ' 497' ' ' GLU . 2.1 m80 -95.23 -43.73 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.442 -177.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' TRP . . . . . 0.402 ' N ' ' O ' ' A' ' 495' ' ' PHE . 10.9 m95 -70.56 5.18 1.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.539 -177.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . 0.733 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 5.2 p -56.73 -67.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.733 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 86.2 tt0 -47.48 -41.16 20.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.579 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.18 88.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.484 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . 0.463 ' O ' ' N ' ' A' ' 506' ' ' GLY . 3.7 m-85 -61.97 -41.16 97.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.614 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.5 mmt85 -49.96 -33.96 19.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -78.32 -9.96 59.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.725 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 90.15 35.53 7.54 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 178.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -79.24 157.85 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.574 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.7 pt -139.64 158.78 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.477 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' GLN . . . . . 0.593 ' O ' ' NE2' ' A' ' 509' ' ' GLN . 0.6 OUTLIER -132.24 123.36 26.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.665 177.359 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' ALA . . . . . 0.746 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.98 112.85 21.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.354 -177.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' THR . . . . . 0.56 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.2 OUTLIER -129.46 108.43 10.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.688 177.528 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 85.5 m -61.75 -61.93 2.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.473 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 515' ' ' PHE . 39.6 t0 -103.71 98.99 8.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.635 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.62 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 44.5 pt -54.4 -10.19 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.365 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' PHE . . . . . 0.482 ' H ' ' C ' ' A' ' 513' ' ' ASP . 16.2 m-85 -74.37 -13.57 60.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.448 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -100.38 -10.89 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.516 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -132.44 116.1 16.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.665 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' GLY . . . . . 0.755 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 102.65 44.48 1.8 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.31 32.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 110.667 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.755 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.2 OUTLIER -77.51 -175.58 3.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.612 ' H ' HG22 ' A' ' 520' ' ' THR . 18.6 pt-20 -108.69 -48.41 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.277 -178.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' CYS . . . . . 0.634 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 9.9 p -70.88 -44.75 65.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.243 -177.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.634 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 50.1 t60 -57.65 -54.35 47.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.419 -178.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' ' 520' ' ' THR . 23.7 mt -54.65 -46.54 73.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 81.1 m-20 -73.04 -10.4 59.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.743 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' GLN . . . . . 0.426 HE21 ' HB3' ' A' ' 526' ' ' GLN . 3.9 tt0 -90.09 -29.83 18.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.589 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 10.0 mp -98.35 -8.3 27.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . 0.585 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 3.6 ttp85 -65.2 -45.5 71.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.6 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 11.2 Cg_exo -70.53 -28.51 21.47 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.806 2.337 . . . . 0.0 112.091 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 36.3 mt -84.36 -13.92 50.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.506 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.6 tptm 67.1 21.81 10.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.521 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 19.1 t -70.06 114.89 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.594 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -125.14 74.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . 0.62 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 173.11 -170.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.192 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . 0.473 ' CG ' HE22 ' A' ' 509' ' ' GLN . 16.2 t-20 -173.59 98.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.991 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 20.0 tp -136.99 113.58 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.069 177.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.85 124.74 73.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.212 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . 0.409 ' O ' ' CD1' ' A' ' 549' ' ' LEU . 97.3 t -119.73 113.12 34.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.025 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.75 133.91 35.76 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.798 2.332 . . . . 0.0 112.371 -174.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 71.7 mmm -116.82 112.43 21.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.207 175.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.4 t -120.6 124.55 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.959 -176.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.6 mt -113.57 139.96 36.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.89 177.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 44.16 34.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.019 0.437 . . . . 0.0 109.853 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 0.5 OUTLIER 70.8 26.36 3.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.44 179.138 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 542' ' ' ILE . 23.3 mt-30 -129.51 138.39 51.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' LEU . . . . . 0.614 ' CB ' HH21 ' A' ' 504' ' ' ARG . 11.1 tp -74.47 94.03 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.529 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -86.64 -37.42 18.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.566 -177.558 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . 0.557 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -156.49 -177.62 29.82 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -176.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.429 HD11 ' N ' ' A' ' 550' ' ' LEU . 12.0 tp -154.42 137.79 15.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.308 . . . . 0.0 110.304 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . 0.429 ' N ' HD11 ' A' ' 549' ' ' LEU . 27.0 tp -105.73 117.77 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.694 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.658 ' CG2' ' HE2' ' A' ' 553' ' ' HIS . 2.1 mt -123.05 134.07 67.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . 0.449 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -119.71 147.21 44.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.58 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.658 ' HE2' ' CG2' ' A' ' 551' ' ' ILE . 1.0 OUTLIER -149.81 149.59 30.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.682 178.55 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.677 ' NE2' HH11 ' A' ' 559' ' ' ARG . 20.8 mp0 -89.96 115.94 27.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.754 177.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -76.1 -13.3 60.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.336 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 16.9 t -95.21 -71.88 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.307 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -143.32 154.73 61.04 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.458 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -43.69 164.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.949 2.433 . . . . 0.0 112.002 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.677 HH11 ' NE2' ' A' ' 554' ' ' GLN . 19.0 ttt-85 -160.67 152.94 20.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.725 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' GLN . . . . . 0.406 ' N ' ' CG ' ' A' ' 559' ' ' ARG . 51.5 tp60 -109.25 109.68 20.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.412 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' TRP . . . . . 0.746 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.1 OUTLIER -82.1 118.76 23.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.734 178.595 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -70.35 159.04 34.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.345 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -56.93 -35.56 69.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.64 -40.29 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.443 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -61.59 -32.73 72.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.55 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 25.8 mm -65.91 -47.44 85.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 177.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -51.46 -48.62 62.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -61.52 -40.78 95.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' PHE . . . . . 0.593 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 5.4 m-85 -57.33 -43.05 83.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.389 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' SER . . . . . 0.486 ' O ' ' OG ' ' A' ' 574' ' ' SER . 15.4 t -59.6 -50.63 73.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.377 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' A' ' 575' ' ' THR . 95.2 mt-10 -63.01 -42.95 99.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.335 -178.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.44 -54.8 38.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.481 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -66.3 -43.3 86.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.501 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' A' ' 570' ' ' SER . 75.3 m -56.46 -34.76 67.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.642 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 571' ' ' GLU . 41.4 m -55.58 -49.54 72.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.722 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -53.68 -44.23 69.1 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.5 -40.58 59.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.676 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.81 -44.28 94.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.662 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 40.0 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.638 -178.337 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -126.19 149.15 49.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.59 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -81.63 5.3 18.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 47.5 t -100.15 125.4 53.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.544 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -83.94 151.03 25.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.634 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.75 -20.57 63.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 28.9 t -50.71 -26.27 5.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -64.17 -26.47 68.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.539 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 48.7 mt -118.24 139.76 50.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.612 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -90.46 156.75 17.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.632 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -72.97 122.27 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.456 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 1.4 ptp180 -60.68 -28.13 68.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 35.0 tp60 -69.46 -30.76 68.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.703 -177.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.0 -55.88 9.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.609 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 17.9 pt -48.1 -37.65 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.725 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 29.4 m-85 -60.9 -45.75 93.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.997 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 82.8 tt0 -52.83 -36.61 58.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.045 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 97.5 m -60.31 -49.29 78.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.033 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 447' ' ' LEU . 2.3 mt -58.93 -51.57 69.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.93 -35.53 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.14 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -64.03 -45.86 87.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -71.6 -44.6 64.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.789 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -50.59 -48.92 41.64 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . 0.554 ' NH1' ' OG ' ' A' ' 477' ' ' SER . 22.2 ptt180 -77.67 -30.83 52.2 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.093 -178.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -78.13 -57.91 3.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.768 0.318 . . . . 0.0 110.775 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.36 -42.0 98.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.679 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.605 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.8 mt -89.82 -12.81 38.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.805 -178.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 58.32 54.78 5.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.4 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 75.2 m -94.1 158.37 15.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.627 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.428 ' OD2' ' OG ' ' A' ' 556' ' ' SER . 86.8 m-20 -80.84 -52.47 7.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.501 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.482 ' O ' ' O ' ' A' ' 553' ' ' HIS . 26.1 ttt180 -137.08 138.76 40.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.538 -178.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 15.2 m -145.49 130.98 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.436 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 16.4 tt -117.71 138.23 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.718 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 2.6 t -134.91 128.24 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.4 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.54 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 20.6 p90 -138.95 142.85 38.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.713 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -84.48 146.79 27.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.498 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -82.08 147.4 29.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.641 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -111.85 -170.74 1.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.502 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 53.2 p30 -81.44 -15.64 54.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.425 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 467' ' ' ASP . 84.9 m-20 -102.77 28.39 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . 0.503 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 8.3 m-85 54.94 19.85 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.335 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . 0.401 ' HA ' ' NH1' ' A' ' 496' ' ' ARG . 59.2 t -108.49 128.23 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.627 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -79.56 176.11 54.8 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' THR . . . . . 0.403 ' N ' ' HB2' ' A' ' 463' ' ' TYR . 53.8 m -148.2 109.05 4.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.598 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 19.0 t -68.35 86.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.645 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.55 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 33.8 m -82.62 -22.63 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.361 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.25 134.35 17.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.381 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 485' ' ' ALA . 55.4 tt0 -146.04 146.3 30.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.652 178.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' SER . . . . . 0.554 ' OG ' ' NH1' ' A' ' 452' ' ' ARG . 8.5 t -134.66 119.44 18.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.589 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 2.2 m -135.71 143.44 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.507 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -59.33 171.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.698 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -74.35 127.47 33.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.46 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.41 -13.04 25.77 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -96.74 166.24 14.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 110.827 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -85.36 127.42 3.33 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.029 2.486 . . . . 0.0 111.902 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -94.69 148.12 22.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.657 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . 0.448 ' N ' ' OE1' ' A' ' 476' ' ' GLU . . . -114.63 -97.57 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.558 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 487' ' ' ASP . 0.0 OUTLIER 61.1 123.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.648 -178.333 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 10.5 t0 80.11 16.68 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.589 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -105.39 147.24 28.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 33.9 m -102.66 128.44 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.417 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 8.9 mm -92.97 110.43 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.706 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -107.95 93.43 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.29 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.715 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 0.2 OUTLIER -135.65 77.31 52.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 179.124 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . 0.592 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 53.6 Cg_endo -71.84 39.31 0.38 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.685 2.257 . . . . 0.0 112.197 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.756 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -98.9 -74.93 0.57 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . 0.756 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 35.0 p90 -77.49 -52.73 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.389 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.715 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 23.6 ptt180 -51.2 -13.16 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.598 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . 0.482 ' OE1' ' CD2' ' A' ' 498' ' ' HIS . 5.6 tm-20 -90.54 -58.24 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.538 -177.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . 0.482 ' CD2' ' OE1' ' A' ' 497' ' ' GLU . 4.9 m80 -96.56 -46.73 6.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.455 -177.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -63.93 -7.96 9.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.737 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 5.9 p -46.58 -67.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.485 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.737 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 22.3 pt-20 -47.53 -38.7 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.584 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.6 98.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . 0.637 ' HH ' ' CG2' ' A' ' 537' ' ' VAL . 4.5 m-85 -61.81 -41.11 97.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.667 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.559 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.4 mmt85 -50.1 -34.97 23.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.739 177.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -77.5 -10.15 59.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.701 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 91.08 35.65 7.01 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -78.52 154.56 30.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.773 0.32 . . . . 0.0 110.649 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.4 pt -137.4 156.94 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.461 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . 0.609 ' NE2' ' ND2' ' A' ' 535' ' ' ASN . 0.8 OUTLIER -130.36 119.41 22.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.638 177.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . 0.783 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -115.81 113.8 23.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.378 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' THR . . . . . 0.559 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.3 OUTLIER -129.06 111.82 13.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.637 177.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 98.8 m -64.21 -57.32 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 515' ' ' PHE . 40.0 t0 -107.98 98.98 8.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.562 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.602 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 44.9 pt -53.61 -10.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.415 -177.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . 0.482 ' H ' ' C ' ' A' ' 513' ' ' ASP . 17.6 m-85 -74.98 -10.8 59.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.469 -177.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -102.09 -15.83 16.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.25 116.81 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.575 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . 0.713 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 108.06 44.17 1.22 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.01 30.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.704 0.287 . . . . 0.0 110.618 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.713 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.1 OUTLIER -77.37 -175.21 3.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.52 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.431 ' N ' ' OG1' ' A' ' 520' ' ' THR . 88.5 tt0 -103.86 -72.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.355 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 17.6 p -54.36 -37.18 64.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.179 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.456 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 53.1 t60 -56.61 -56.62 19.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.459 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 24.0 mt -55.92 -44.99 78.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.481 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -71.07 -17.37 62.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.756 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' A' ' 526' ' ' GLN . 4.4 tt0 -83.55 -31.45 26.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.646 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 10.8 mp -93.25 -32.94 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.664 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.55 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 11.8 mtt85 -43.73 -58.95 3.93 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 11.9 Cg_endo -56.22 -26.31 60.38 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.804 2.336 . . . . 0.0 112.025 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 34.5 mt -90.24 -9.65 47.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.516 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 531' ' ' LYS . 1.1 ttmt 57.21 26.77 12.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.94 120.2 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.643 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . 0.427 ' NH1' ' CE1' ' A' ' 515' ' ' PHE . 74.9 mtt-85 -125.38 74.44 1.39 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.942 0.401 . . . . 0.0 110.622 178.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . 0.602 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.44 -171.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.297 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . 0.609 ' ND2' ' NE2' ' A' ' 509' ' ' GLN . 17.1 t-20 -174.32 100.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.077 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 58.2 tp -133.68 113.27 12.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.17 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.637 ' CG2' ' HH ' ' A' ' 503' ' ' TYR . 30.9 m -116.52 120.07 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.258 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.461 ' O ' ' CD1' ' A' ' 549' ' ' LEU . 2.2 t -115.87 111.48 43.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.955 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.76 131.86 30.72 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.792 2.328 . . . . 0.0 112.334 -175.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.53 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 78.0 mmm -116.72 111.93 20.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.154 176.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.01 120.55 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 0.0 110.979 -175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.0 mt -109.83 139.76 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.873 177.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 57.0 t0 44.22 33.47 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.076 0.465 . . . . 0.0 109.878 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 20.9 t0 71.6 25.73 3.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.443 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 542' ' ' ILE . 23.0 mt-30 -128.85 135.91 49.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.579 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . 0.559 ' CB ' HH21 ' A' ' 504' ' ' ARG . 14.0 tp -71.29 93.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.628 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.489 ' CE2' ' CD2' ' A' ' 580' ' ' LEU . 0.0 OUTLIER -84.47 -36.84 22.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.538 -176.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . 0.53 ' O ' ' HB2' ' A' ' 540' ' ' MET . . . -159.45 -178.27 33.29 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -176.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.484 HD13 ' N ' ' A' ' 550' ' ' LEU . 18.3 tp -152.86 134.55 14.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.672 0.272 . . . . 0.0 110.391 -178.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . 0.484 ' N ' HD13 ' A' ' 549' ' ' LEU . 24.8 tp -100.95 116.52 33.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.621 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.473 ' CG2' ' NE2' ' A' ' 553' ' ' HIS . 5.1 mt -120.48 130.68 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.531 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -112.46 143.75 43.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.482 ' O ' ' O ' ' A' ' 459' ' ' ARG . 33.4 m80 -140.37 136.68 33.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.701 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.624 ' NE2' ' NH1' ' A' ' 559' ' ' ARG . 23.1 mp0 -93.65 102.15 14.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.79 85.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.34 -177.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' SER . . . . . 0.498 ' HG ' ' H ' ' A' ' 557' ' ' GLU . 89.6 p -63.79 -73.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.275 -177.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.498 ' H ' ' HG ' ' A' ' 556' ' ' SER . 0.3 OUTLIER -149.65 161.92 30.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.476 -178.776 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -46.34 157.04 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.914 2.409 . . . . 0.0 112.002 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.649 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 22.7 ttt-85 -154.66 153.26 31.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.636 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -113.06 111.48 22.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.479 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . 0.783 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.0 OUTLIER -81.55 116.04 21.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.75 178.184 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -67.32 161.21 25.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.353 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.28 -35.17 69.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.384 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . 0.411 HG22 HD12 ' A' ' 564' ' ' ILE . 96.9 mt -65.25 -37.8 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.471 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.11 -33.85 76.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.495 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 90.6 mt -67.88 -44.77 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.587 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -52.55 -48.36 66.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.514 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -60.24 -41.57 93.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . 0.605 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 6.2 m-85 -57.43 -42.55 82.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.361 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 574' ' ' SER . 20.0 t -59.75 -50.71 72.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.358 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -65.87 -42.64 90.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.304 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . 0.594 ' O ' ' OG1' ' A' ' 575' ' ' THR . 7.9 tp -61.89 -51.3 68.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.542 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -68.95 -41.3 78.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.537 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 570' ' ' SER . 19.8 t -55.87 -43.13 76.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.621 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' THR . . . . . 0.594 ' OG1' ' O ' ' A' ' 572' ' ' LEU . 7.9 p -54.61 -39.62 68.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.671 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -58.89 -47.15 92.04 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.67 -41.42 55.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.318 . . . . 0.0 110.745 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.9 mt -57.76 -40.35 79.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.64 -53.25 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.489 ' CD2' ' CE2' ' A' ' 547' ' ' PHE . 9.9 mp -64.45 -35.08 79.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.2 -39.44 86.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -65.56 -51.19 61.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.625 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.96 -36.84 80.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -58.79 -51.23 70.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.72 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -135.81 133.96 38.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.737 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 17.2 tp -173.77 -28.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.58 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -55.6 -33.73 64.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -165.91 96.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 52.0 p -130.35 -45.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 4.9 pt -149.92 93.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.652 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -61.97 -46.01 91.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.628 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 19.7 m -54.46 -34.55 61.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 11.2 tp . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.543 179.689 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' VRB . . . . . 0.556 ' H24' ' OD2' ' A' ' 492' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' MET . . . . . 0.452 ' CG ' ' H ' ' A' ' 430' ' ' ALA . 8.1 tpt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . 0.452 ' H ' ' CG ' ' A' ' 429' ' ' MET . . . 74.29 26.49 1.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.613 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -84.34 113.52 21.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 1.8 m -84.62 114.37 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.558 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -79.18 132.85 36.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.525 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 436' ' ' GLU . 38.7 tp -59.05 -35.44 73.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.575 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 35.5 m -54.65 -11.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.555 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 434' ' ' LEU . 48.8 tp10 -63.71 -35.88 82.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.542 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 437' ' ' LEU . 8.9 mp -76.87 160.78 28.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -52.26 -44.6 65.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 45.05 57.74 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.499 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.532 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 3.1 ptp180 -54.89 -27.68 44.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.625 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 3.7 tm0? -69.1 -31.63 70.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.693 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 445' ' ' GLU . . . -70.04 -57.21 5.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -177.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . 0.517 ' O ' ' OG1' ' A' ' 446' ' ' THR . 14.1 pt -43.42 -37.03 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.712 -178.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 42.3 m-85 -67.62 -39.19 84.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 178.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 449' ' ' ALA . 43.0 tp10 -54.53 -41.63 69.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.161 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 443' ' ' ILE . 17.2 p -58.51 -53.8 54.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.04 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.462 ' N ' HD21 ' A' ' 447' ' ' LEU . 1.0 OUTLIER -55.41 -51.06 68.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.162 179.27 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 58.0 t -71.16 -35.66 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.11 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 445' ' ' GLU . . . -64.11 -48.0 77.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.763 0.316 . . . . 0.0 110.826 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -72.54 -37.97 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -55.31 -50.96 57.45 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . 0.494 ' NH1' ' OG ' ' A' ' 477' ' ' SER . 9.2 ptm180 -77.72 -30.41 51.72 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.059 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.65 -56.77 4.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.701 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.9 mt -66.14 -42.3 89.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.709 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.575 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.1 mt -88.88 -14.08 37.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.734 -177.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 60.57 55.71 3.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.382 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 12.8 t -94.42 157.52 15.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.661 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.425 ' OD2' ' OG ' ' A' ' 556' ' ' SER . 92.2 m-20 -83.07 -53.93 5.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.48 -178.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.482 ' O ' ' O ' ' A' ' 553' ' ' HIS . 7.4 ttt180 -140.24 140.02 35.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.557 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 28.5 m -146.44 132.87 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.493 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 35.5 mt -113.3 137.43 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 2.3 t -134.82 128.44 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.449 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.508 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 25.6 p90 -142.41 142.44 32.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.691 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -82.61 145.98 29.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.455 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.1 m-85 -82.04 146.6 29.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.642 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -111.48 -171.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.546 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -80.7 -15.74 55.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.457 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -102.05 27.33 6.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.52 -178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . 0.483 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.1 m-85 55.09 19.06 2.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.386 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 58.1 t -108.5 127.27 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.551 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.412 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -77.68 174.08 54.86 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -177.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 84.8 m -146.74 106.07 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.782 0.325 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.96 96.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.649 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 11.4 p -96.27 -18.89 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.387 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -149.62 130.26 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.408 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 485' ' ' ALA . 48.9 tt0 -147.81 145.26 28.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.648 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' SER . . . . . 0.494 ' OG ' ' NH1' ' A' ' 452' ' ' ARG . 45.5 t -134.5 121.34 20.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.615 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.6 m -134.08 140.01 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.582 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -57.31 171.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.709 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -74.03 126.63 30.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.404 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.68 -9.73 25.81 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -101.96 167.06 11.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.812 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -86.85 130.13 3.06 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.965 2.443 . . . . 0.0 111.966 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -95.73 149.5 21.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.693 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . 0.409 ' N ' ' OE1' ' A' ' 476' ' ' GLU . . . -113.44 -95.59 0.45 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.426 ' HG3' HH11 ' A' ' 486' ' ' ARG . 32.8 mmm-85 62.17 123.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.75 -178.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 487' ' ' ASP . 0.4 OUTLIER 75.0 18.83 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.199 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -105.02 148.01 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.565 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 18.8 m -108.41 132.21 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 50.9 mt -102.13 122.08 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.663 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . 0.417 ' O ' ' OD1' ' A' ' 492' ' ' ASP . 95.0 mt-10 -112.64 96.97 6.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.303 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.724 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 5.3 m-20 -135.84 78.1 49.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.687 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . 0.472 ' O ' ' OE1' ' A' ' 497' ' ' GLU . 52.4 Cg_endo -70.41 36.26 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.753 2.302 . . . . 0.0 112.151 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.736 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -95.91 -79.9 0.43 Allowed 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.302 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . 0.736 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 34.6 p90 -75.24 -52.39 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 118.141 0.428 . . . . 0.0 110.307 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.724 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 23.7 ptt180 -51.82 -13.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.665 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . 0.519 ' OE1' ' NE2' ' A' ' 498' ' ' HIS . 68.3 tt0 -89.41 -58.47 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.478 -177.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . 0.519 ' NE2' ' OE1' ' A' ' 497' ' ' GLU . 2.2 m80 -96.95 -46.96 6.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.384 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -64.39 -4.84 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.739 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 6.4 p -49.12 -67.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.484 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.739 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 24.4 mt-10 -47.46 -39.99 17.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.52 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.56 92.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.495 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.6 m-85 -62.35 -40.25 95.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.626 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.449 ' HE ' ' HB2' ' A' ' 546' ' ' LEU . 24.0 mmt85 -51.93 -31.95 30.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.77 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -79.7 -9.69 59.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.682 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 90.68 35.93 7.08 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -79.55 154.83 28.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.641 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.8 pt -136.78 156.33 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.457 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . 0.585 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 1.1 tm0? -133.64 119.72 19.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.696 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . 0.724 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -114.78 114.35 25.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.357 -178.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' THR . . . . . 0.585 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.2 OUTLIER -129.63 108.67 10.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.649 177.468 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 54.5 m -62.78 -61.97 2.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.503 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.6 t0 -102.93 97.73 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.581 -178.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.592 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 46.6 pt -53.58 -10.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.378 -177.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . 0.48 ' H ' ' C ' ' A' ' 513' ' ' ASP . 16.6 m-85 -75.0 -10.56 59.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.434 -178.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -101.5 -12.04 18.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.593 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.91 116.27 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . 0.735 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 102.99 44.25 1.79 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.35 33.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 110.649 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.735 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.2 OUTLIER -77.65 -174.12 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.531 ' H ' HG22 ' A' ' 520' ' ' THR . 5.1 pt-20 -105.5 -52.17 2.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.359 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 7.9 p -70.65 -41.37 72.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.2 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.591 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 51.2 t60 -55.93 -56.79 16.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.447 -178.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 18.8 mt -54.23 -45.59 72.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.504 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 78.3 m-20 -73.02 -10.23 59.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -90.63 -32.27 16.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.574 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.409 ' N ' ' CD1' ' A' ' 527' ' ' LEU . 9.9 mp -93.98 -17.56 22.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.542 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 16.7 mtt85 -59.36 -59.46 13.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.661 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 11.7 Cg_endo -55.81 -29.31 71.46 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.827 2.351 . . . . 0.0 112.092 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 35.2 mt -85.74 -14.11 46.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.549 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.3 tptm 66.12 22.58 11.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.506 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 14.2 t -69.84 116.32 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.631 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 65.5 mtt-85 -124.01 73.57 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.511 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . 0.592 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 170.82 -170.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.223 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -174.44 98.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 111.075 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 49.6 tp -133.6 112.34 11.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.209 177.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 31.8 m -115.3 120.51 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.21 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.42 ' O ' ' CD1' ' A' ' 549' ' ' LEU . 32.9 t -117.01 111.5 40.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.023 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.71 132.68 33.65 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.844 2.363 . . . . 0.0 112.351 -174.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 39.2 mmm -115.37 113.64 24.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.211 175.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 13.1 t -121.09 123.58 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.563 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.7 mt -109.25 138.37 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.913 177.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 53.5 t0 43.1 31.96 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 109.846 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 75.93 25.62 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.431 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' A' ' 542' ' ' ILE . 24.6 mt-30 -129.72 134.51 47.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . 0.449 ' HB2' ' HE ' ' A' ' 504' ' ' ARG . 11.8 tp -72.11 95.04 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.612 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -90.13 -33.09 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -177.277 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . 0.612 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -156.22 -178.77 30.7 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 550' ' ' LEU . 14.5 tp -155.07 136.93 14.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.666 0.27 . . . . 0.0 110.422 -178.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 549' ' ' LEU . 28.4 tp -105.27 119.74 39.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.658 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.446 HG21 ' HE2' ' A' ' 553' ' ' HIS . 3.5 mt -124.63 130.41 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -106.93 145.26 32.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.482 ' O ' ' O ' ' A' ' 459' ' ' ARG . 30.0 m80 -142.51 139.27 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.646 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.484 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 50.3 mm-40 -89.15 118.03 28.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.768 176.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -83.87 -9.34 58.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.256 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' SER . . . . . 0.425 ' OG ' ' OD2' ' A' ' 458' ' ' ASP . 10.4 p -100.58 -72.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.294 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -145.34 159.1 49.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -46.67 159.65 0.29 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.913 2.409 . . . . 0.0 112.035 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.588 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 41.0 ttt85 -154.17 150.71 28.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.644 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -108.97 107.51 17.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.438 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . 0.724 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.4 OUTLIER -83.72 120.8 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.74 179.368 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -70.96 158.27 36.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.3 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -57.52 -32.51 67.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.481 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . 0.449 HG23 HE21 ' A' ' 568' ' ' GLN . 19.9 mm -67.23 -38.09 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.477 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.15 -31.75 72.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.478 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 23.4 mt -73.7 -42.12 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.603 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -52.5 -48.17 66.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.449 HE21 HG23 ' A' ' 564' ' ' ILE . 40.7 mt-30 -60.27 -41.05 92.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . 0.575 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.1 m-85 -57.27 -41.13 79.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.411 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' SER . . . . . 0.492 ' O ' ' OG ' ' A' ' 574' ' ' SER . 11.3 t -59.16 -52.05 67.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.398 -178.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.69 -43.08 97.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.299 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 17.7 tp -62.0 -55.01 33.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.529 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.0 93.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.538 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' SER . . . . . 0.492 ' OG ' ' O ' ' A' ' 570' ' ' SER . 68.3 m -57.22 -32.99 67.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.0 m -53.13 -48.44 67.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.748 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.07 -44.67 88.31 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.58 -39.26 49.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.752 0.31 . . . . 0.0 110.692 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.33 -42.08 86.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.667 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 98.6 t -61.65 -51.44 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 580' ' ' LEU . 10.1 mp -66.63 -32.93 74.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -57.9 -40.66 80.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.526 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 585' ' ' PHE . 77.2 mtm180 -66.23 -43.56 86.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.527 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 25.4 tp -67.44 -44.49 78.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.643 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -68.69 -48.87 62.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.657 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 0.415 ' O ' ' O ' ' A' ' 582' ' ' ARG . 95.8 m-85 -128.25 160.27 32.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.659 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 23.2 mt 52.75 62.89 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.59 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 587' ' ' GLU . 43.7 mp0 -62.9 -30.51 71.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.59 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -79.94 115.03 19.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.631 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 591' ' ' ALA . 1.7 m -130.35 24.81 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.568 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 12.6 pt -68.43 62.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 589' ' ' THR . . . -75.79 -8.58 57.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.58 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 23.2 t -54.91 -34.96 63.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.538 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.561 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' VRB . . . . . 0.575 ' H38' ' O23' ' A' ' 600' ' ' VRB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -158.21 133.6 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -68.61 -35.54 77.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.57 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 8.9 p -74.58 115.67 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.539 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -133.56 159.81 39.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.605 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 47.6 mt -60.41 -32.61 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.556 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 83.3 p -58.42 -37.57 75.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -102.47 26.56 7.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.407 ' C ' ' CD2' ' A' ' 437' ' ' LEU . 3.0 tt -139.68 103.8 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.66 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 66.4 ttt-85 -175.22 -79.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.618 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -94.94 167.23 11.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.424 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.515 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 0.7 OUTLIER -57.88 -28.29 64.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.616 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . 0.552 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 5.4 tm0? -68.79 -30.99 69.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.625 -177.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.68 -58.09 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.592 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . 0.472 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 9.0 pt -44.27 -39.28 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.753 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 36.0 m-85 -62.65 -44.45 96.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 46.3 tp10 -52.67 -38.37 60.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.109 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 89.1 m -60.51 -46.8 88.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 447' ' ' LEU . 2.8 mt -60.33 -52.26 66.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.211 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.54 -37.1 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.151 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -64.59 -46.18 83.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.817 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -72.07 -43.24 65.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.814 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -52.95 -49.4 55.24 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 43.9 ptt85 -78.16 -30.52 49.24 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.029 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -77.08 -57.54 3.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.327 . . . . 0.0 110.7 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.49 -43.54 85.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.701 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.3 mt -85.6 -13.72 47.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.71 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.62 55.06 4.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.385 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 11.6 t -94.65 153.7 17.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.705 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.406 ' OD2' ' OG ' ' A' ' 556' ' ' SER . 86.4 m-20 -78.16 -54.42 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.449 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.489 ' HE ' ' CG1' ' A' ' 478' ' ' VAL . 12.6 ttm180 -134.81 139.88 45.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.576 -178.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 11.5 m -146.47 130.06 9.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.488 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.406 HD12 ' HD1' ' A' ' 553' ' ' HIS . 28.9 mt -115.84 138.27 46.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.836 -178.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 2.4 t -135.56 125.41 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.499 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 22.0 p90 -138.43 140.27 39.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.659 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -81.28 147.11 30.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.444 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 547' ' ' PHE . 1.9 m-85 -82.71 145.83 29.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.595 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.557 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 41.5 t0 -110.43 -172.56 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.467 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . 0.557 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 86.8 m-20 -80.39 -16.13 55.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.455 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -101.93 30.68 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.448 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . 0.467 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 7.6 m-85 53.25 17.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.38 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . 0.405 ' CG1' ' CG1' ' A' ' 489' ' ' VAL . 43.8 t -108.79 129.04 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.619 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -81.5 176.14 54.31 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 88.1 m -149.96 108.7 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 24.9 t -67.95 92.98 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.72 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.527 ' O ' ' NE ' ' A' ' 486' ' ' ARG . 13.6 p -89.28 -19.87 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.394 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.91 134.86 15.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.39 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -152.45 150.71 29.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.677 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 49.5 m -140.77 129.85 23.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.591 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . 0.489 ' CG1' ' HE ' ' A' ' 459' ' ' ARG . 2.1 t -136.35 144.58 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.573 -178.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -53.95 170.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -77.67 131.28 37.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.412 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 111.38 -16.23 27.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 50.1 m95 -97.07 169.2 9.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . 0.477 ' O ' ' NH2' ' A' ' 459' ' ' ARG . 8.5 Cg_endo -87.12 126.5 2.39 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.026 2.484 . . . . 0.0 111.907 178.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -89.92 147.99 23.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.711 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -111.23 -96.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.614 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.527 ' NE ' ' O ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER 61.13 129.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.644 -178.337 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 12.1 t0 76.98 19.37 1.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.564 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -102.91 146.1 28.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.484 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . 0.405 ' CG1' ' CG1' ' A' ' 470' ' ' VAL . 21.5 t -98.39 128.33 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.654 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.416 HG23 HD11 ' A' ' 490' ' ' ILE . 11.5 mm -97.52 112.02 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.662 179.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . 0.45 ' O ' ' OD1' ' A' ' 492' ' ' ASP . 78.5 mt-10 -114.04 94.34 4.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.339 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.7 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 4.5 m-20 -137.14 79.26 38.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.714 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . 0.482 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 55.4 Cg_endo -71.31 38.59 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.739 2.293 . . . . 0.0 112.178 -177.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.719 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -97.85 -77.65 0.5 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 118.98 -0.533 . . . . 0.0 109.731 179.062 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . 0.719 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 33.8 p90 -75.07 -53.16 9.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 110.394 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.7 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 24.3 ptt180 -51.5 -12.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.682 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . 0.464 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 73.4 tt0 -89.7 -58.11 2.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.495 -177.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -97.38 -46.54 6.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.52 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -63.5 -8.37 9.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.493 -177.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.73 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 5.9 p -47.02 -67.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.487 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.73 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 23.0 pt-20 -47.26 -38.85 13.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.11 97.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.7 m-85 -61.33 -41.43 97.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.601 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.601 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.8 mmt85 -48.8 -35.95 15.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.714 177.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -76.59 -10.65 59.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.681 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 91.25 35.78 6.89 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -77.36 155.05 32.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 0.0 110.598 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.6 pt -136.75 155.28 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.446 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . 0.554 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 0.8 OUTLIER -132.36 119.12 20.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 177.521 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . 0.748 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -115.98 115.68 26.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.412 -178.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' THR . . . . . 0.554 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.3 OUTLIER -129.04 111.66 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.714 177.389 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 79.1 m -64.37 -57.81 8.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.479 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' A' ' 515' ' ' PHE . 40.5 t0 -108.59 99.59 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.536 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 27.1 pt -53.63 -10.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.293 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . 0.489 ' H ' ' C ' ' A' ' 513' ' ' ASP . 13.5 m-85 -74.01 -10.98 60.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.5 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -102.38 -15.67 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.566 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.9 116.42 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.599 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . 0.717 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 106.93 44.84 1.25 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.59 31.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.652 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.717 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.1 OUTLIER -76.82 -176.97 4.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.479 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 522' ' ' CYS . 15.9 pt-20 -106.08 -54.0 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.381 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 14.8 p -69.68 -40.98 76.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.224 -177.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.537 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 33.5 t60 -57.29 -55.44 34.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.386 -178.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 32.7 mt -54.54 -46.28 73.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.522 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 77.1 m-20 -71.6 -17.03 62.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.696 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' ' 526' ' ' GLN . 4.2 tt0 -83.27 -29.07 28.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.64 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 8.8 mp -96.14 -26.54 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.644 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.539 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 14.3 mtt85 -47.55 -59.45 5.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 16.1 Cg_endo -58.33 -29.53 88.32 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.854 2.369 . . . . 0.0 112.045 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 50.8 mt -82.57 -15.41 52.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.554 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.474 ' CE ' HH12 ' A' ' 533' ' ' ARG . 9.1 tptt 68.23 20.44 8.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.511 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.94 116.65 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.515 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . 0.474 HH12 ' CE ' ' A' ' 531' ' ' LYS . 68.1 mtt85 -125.37 74.34 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 177.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . 0.536 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 172.29 -171.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.244 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -175.14 99.94 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.022 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 48.5 tp -133.33 114.12 13.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.137 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 30.2 m -117.08 119.45 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 111.229 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.442 ' O ' ' CD1' ' A' ' 549' ' ' LEU . 98.7 t -115.1 111.98 44.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.01 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.2 132.86 33.11 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.824 2.349 . . . . 0.0 112.342 -174.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.454 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 40.9 mmm -119.0 111.79 18.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.205 175.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.2 t -120.04 123.82 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.952 -176.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.1 mt -112.89 139.74 36.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.918 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 58.9 t0 45.08 35.68 1.72 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.014 0.435 . . . . 0.0 109.834 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 1.1 m-20 68.71 25.77 6.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.381 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 542' ' ' ILE . 23.5 mt-30 -129.79 137.75 50.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.617 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . 0.601 ' CB ' HH21 ' A' ' 504' ' ' ARG . 12.8 tp -72.02 92.96 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -83.55 -38.78 21.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 -176.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . 0.55 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -159.44 179.66 34.87 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -177.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 550' ' ' LEU . 14.4 tp -151.28 136.6 17.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.712 0.291 . . . . 0.0 110.371 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 549' ' ' LEU . 24.2 tp -103.23 118.22 36.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.641 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.465 ' HA ' ' O ' ' A' ' 536' ' ' LEU . 4.5 mt -122.65 131.97 72.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.621 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.68 146.78 35.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.484 ' O ' ' O ' ' A' ' 459' ' ' ARG . 30.6 m80 -143.24 142.18 31.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.499 ' H ' ' HB1' ' A' ' 534' ' ' ALA . 16.2 mp0 -89.64 121.99 32.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.748 176.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -87.39 -12.56 45.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.334 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' SER . . . . . 0.406 ' OG ' ' OD2' ' A' ' 458' ' ' ASP . 78.7 p -99.07 -72.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.351 -178.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.79 160.66 46.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.512 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -48.26 159.01 0.81 Allowed 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.883 2.388 . . . . 0.0 112.027 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.616 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 43.7 ttt85 -154.56 150.62 27.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.655 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -110.71 108.59 18.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.458 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . 0.748 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.3 OUTLIER -82.95 118.19 23.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.737 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -69.09 159.38 33.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.342 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -56.8 -32.95 66.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.883 0.373 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 14.6 mm -67.19 -38.09 80.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.425 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.28 -31.46 72.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.551 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 24.8 mt -73.05 -42.04 59.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.538 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -52.78 -48.55 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -59.94 -40.38 88.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.521 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.1 m-85 -58.37 -40.83 83.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 66.8 m -60.07 -51.17 70.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.352 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . 0.446 ' O ' ' OG ' ' A' ' 574' ' ' SER . 78.8 mm-40 -63.21 -43.23 98.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.349 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.45 -53.31 58.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.528 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . 0.402 ' O ' ' CE ' ' A' ' 540' ' ' MET . . . -62.69 -41.35 99.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 571' ' ' GLU . 90.5 p -56.12 -34.25 65.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 27.7 m -55.62 -43.91 76.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.74 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.5 -45.61 89.33 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 3.8 m -52.22 -40.02 61.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.696 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.37 -48.58 80.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 12.2 m -76.4 -31.06 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.641 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 47.6 mt -64.08 -37.89 89.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.626 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -66.91 -50.01 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.58 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -67.74 -34.64 77.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 36.9 tp -71.99 -26.08 62.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.645 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -53.68 -20.83 5.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.623 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -94.73 134.83 36.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.674 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 28.8 mt -79.09 125.67 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.477 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 588' ' ' GLN . 97.8 mt-10 -71.09 -16.95 62.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . 0.46 ' O ' ' O ' ' A' ' 587' ' ' GLU . 90.8 mt-30 58.4 144.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.576 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 43.5 m -57.12 -40.3 76.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.511 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 13.6 pt -91.89 62.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.473 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.25 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.526 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 32.0 m -61.11 -35.54 77.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.533 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 62.0 mt . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.554 -179.767 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' VRB . . . . . 0.595 ' H28' ' OD2' ' A' ' 492' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -129.07 9.44 5.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.631 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 54.31 -94.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 33.6 m -75.12 146.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -58.38 146.96 32.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.612 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.535 ' C ' ' H ' ' A' ' 436' ' ' GLU . 8.7 mp -66.26 -22.8 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.584 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 60.2 p -53.11 -7.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.546 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . 0.535 ' H ' ' C ' ' A' ' 434' ' ' LEU . 66.6 mm-40 -64.67 -16.71 63.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.602 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 37.8 mt -87.96 145.41 26.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.601 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -102.76 -165.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.562 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 62.14 124.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.467 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 0.8 OUTLIER -62.78 -29.09 70.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 50.7 tp60 -68.19 -30.96 70.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.649 -177.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -70.27 -57.86 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 17.6 pt -44.52 -38.39 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.803 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . 0.417 ' HB3' ' CB ' ' A' ' 475' ' ' ALA . 27.1 m-85 -59.17 -44.92 92.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.035 178.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 97.4 mt-10 -55.89 -36.34 67.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 88.3 m -56.36 -33.51 65.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.061 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.445 ' N ' HD21 ' A' ' 447' ' ' LEU . 1.0 OUTLIER -83.21 -50.93 7.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.245 178.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.04 -39.63 83.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.115 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -62.36 -47.83 82.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.868 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -69.29 -40.98 77.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.82 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -55.12 -52.45 46.98 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 38.0 ptt85 -76.69 -28.61 55.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.711 0.291 . . . . 0.0 111.088 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -79.03 -55.61 5.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.702 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 66.2 mt -66.22 -43.9 85.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.714 -177.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.599 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 13.2 mt -86.37 -14.78 42.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.703 -178.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 59.57 53.8 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 72.4 m -94.17 157.2 16.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.744 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.423 ' OD2' ' OG ' ' A' ' 556' ' ' SER . 93.4 m-20 -78.05 -51.68 9.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.504 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 553' ' ' HIS . 45.8 ttt180 -142.54 142.49 32.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.564 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 35.0 m -146.11 135.31 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 17.0 mt -112.57 144.46 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.747 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 3.5 t -143.65 128.44 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.417 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 21.6 p90 -139.37 164.53 29.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.688 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -104.68 141.86 35.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.492 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 547' ' ' PHE . 1.4 m-85 -80.45 143.84 33.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.672 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -111.28 -170.89 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.495 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -80.79 -16.0 54.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.447 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -101.35 26.75 6.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.521 -178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . 0.491 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.5 m-85 55.76 20.84 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.39 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 94.6 t -108.89 130.37 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.622 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -80.85 174.75 54.88 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' THR . . . . . 0.406 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 93.5 m -147.12 105.22 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.572 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 34.7 t -65.65 82.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.653 -177.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.423 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 14.6 p -81.87 -21.59 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.348 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . 0.417 ' CB ' ' HB3' ' A' ' 444' ' ' PHE . . . -150.16 135.41 17.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.364 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -158.37 154.14 26.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.679 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 42.8 t -139.53 128.58 23.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.3 m -134.37 140.08 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.534 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -58.44 171.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . 0.593 ' CD ' ' H ' ' A' ' 480' ' ' GLU . 1.3 pm0 -74.05 125.64 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.459 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 113.49 -10.49 23.93 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -102.46 167.36 10.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 0.0 110.844 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -86.06 128.96 3.3 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 123.008 2.472 . . . . 0.0 111.907 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -91.01 148.33 22.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.685 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -112.12 -97.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.543 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 487' ' ' ASP . 34.5 mmm-85 60.03 122.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.707 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 10.9 t0 77.53 15.87 1.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.52 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -103.69 147.07 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 32.9 m -108.51 133.33 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.575 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 58.6 mt -101.58 119.65 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.669 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -110.57 94.21 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.319 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.699 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 3.8 m-20 -132.71 78.35 66.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.746 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . 0.521 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 55.7 Cg_endo -71.32 35.19 0.28 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.806 2.338 . . . . 0.0 112.193 -177.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.728 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -95.54 -78.5 0.45 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.511 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . 0.728 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 36.5 p90 -75.72 -53.1 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.318 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.699 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 25.1 ptt180 -51.44 -14.1 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.607 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . 0.459 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 66.6 tt0 -89.83 -58.93 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.494 -177.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . 0.436 ' NE2' ' OE1' ' A' ' 497' ' ' GLU . 2.1 m80 -95.14 -46.59 6.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.439 -177.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -65.21 -3.76 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.46 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.745 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 6.2 p -48.76 -67.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.507 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.745 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 23.1 pt-20 -47.06 -39.08 12.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.557 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.43 97.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -62.15 -40.72 96.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.632 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 12.0 mmt-85 -50.94 -34.12 27.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.671 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -77.55 -9.88 59.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.727 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 88.32 34.32 9.67 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 539' ' ' PRO . 22.1 mmt85 -71.58 155.49 40.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.614 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 7.3 tt -138.34 150.4 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.443 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . 0.59 HE22 ' CG ' ' A' ' 535' ' ' ASN . 0.7 OUTLIER -128.57 123.77 34.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.682 177.414 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . 0.755 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -115.75 111.81 21.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.416 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' THR . . . . . 0.561 ' OG1' ' OE1' ' A' ' 509' ' ' GLN . 1.5 m -131.61 111.55 11.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.685 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 513' ' ' ASP . 3.1 p -66.1 -55.05 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.482 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.7 t0 -104.43 97.62 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.621 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.623 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 46.7 pt -55.24 -10.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.391 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . 0.46 ' H ' ' C ' ' A' ' 513' ' ' ASP . 18.3 m-85 -76.43 -12.57 60.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.516 -178.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -101.31 -11.12 19.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.549 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -129.71 114.71 16.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . 0.735 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 99.5 45.29 2.17 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 23.9 mt -58.75 34.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.759 0.314 . . . . 0.0 110.647 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.735 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.2 OUTLIER -76.24 -173.62 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.421 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.561 ' H ' HG22 ' A' ' 520' ' ' THR . 18.4 pt-20 -107.95 -49.46 3.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.327 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . 0.629 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 8.1 p -71.04 -44.25 66.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.198 -177.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.629 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 74.7 t60 -56.86 -55.41 34.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.466 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.426 ' CD1' ' O ' ' A' ' 520' ' ' THR . 17.2 mt -53.63 -46.73 70.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.526 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 82.8 m-20 -72.23 -11.84 60.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.713 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . 0.414 HE21 ' HB3' ' A' ' 526' ' ' GLN . 4.1 tt0 -89.39 -31.24 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.627 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.98 -30.1 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.618 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.543 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 18.5 mtp180 -47.13 -59.23 5.67 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 12.8 Cg_endo -56.45 -28.64 74.31 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.876 2.384 . . . . 0.0 112.061 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 36.8 mt -85.62 -14.8 44.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 4.2 tptm 67.98 20.64 9.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 29.6 t -68.36 114.23 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.584 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -122.57 73.89 1.15 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . 0.623 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.32 -171.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.225 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . 0.59 ' CG ' HE22 ' A' ' 509' ' ' GLN . 10.4 t-20 -174.4 99.46 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 111.083 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 53.1 tp -134.78 114.72 12.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.177 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 27.2 m -118.85 120.73 64.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.165 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 60.1 t -119.27 99.81 50.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.99 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . 0.492 ' CG ' ' O ' ' A' ' 507' ' ' ARG . 31.8 Cg_exo -54.33 133.45 56.1 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.805 2.337 . . . . 0.0 112.367 -175.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.472 ' CE ' ' O ' ' A' ' 573' ' ' ALA . 44.4 mmm -114.96 113.95 24.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.227 175.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.7 t -120.01 127.81 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 545' ' ' GLN . 90.2 mt -114.24 136.77 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.954 178.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 58.1 t0 43.03 31.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.07 0.462 . . . . 0.0 109.844 -176.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 0.4 OUTLIER 75.99 25.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.415 179.439 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . 0.568 ' N ' ' O ' ' A' ' 542' ' ' ILE . 24.9 mt-30 -127.59 128.97 46.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.634 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 16.0 tp -66.66 92.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.54 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -84.85 -37.71 20.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.517 -176.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . 0.54 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -158.84 -179.46 33.71 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -176.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 31.1 tp -146.95 138.21 24.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.707 0.289 . . . . 0.0 110.355 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 20.7 tp -104.69 108.72 20.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.646 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.424 ' HB ' ' NE2' ' A' ' 553' ' ' HIS . 0.5 OUTLIER -116.89 131.22 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.635 -178.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . 0.487 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -121.65 147.05 46.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.556 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.487 ' CG ' ' C ' ' A' ' 552' ' ' ALA . 0.9 OUTLIER -152.19 151.88 31.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.671 179.157 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.666 ' NE2' HH11 ' A' ' 559' ' ' ARG . 22.8 mp0 -90.85 117.68 29.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.685 177.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -77.53 -8.45 57.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.303 -178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' SER . . . . . 0.423 ' OG ' ' OD2' ' A' ' 458' ' ' ASP . 55.2 p -99.18 -71.91 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.336 -178.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -142.09 159.23 59.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.483 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -48.0 163.37 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.922 2.415 . . . . 0.0 112.081 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.666 HH11 ' NE2' ' A' ' 554' ' ' GLN . 21.8 ttt-85 -159.78 152.96 22.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.69 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -111.48 109.2 19.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.445 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . 0.755 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.0 OUTLIER -78.79 116.04 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.684 177.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -68.39 162.44 25.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.364 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -58.16 -34.99 70.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.438 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.32 -39.6 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.427 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.588 ' OE1' ' N ' ' A' ' 565' ' ' GLU . 2.7 mp0 -62.76 -32.74 73.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.573 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 82.7 mt -66.44 -47.49 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -52.37 -48.39 65.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.599 ' OE1' ' N ' ' A' ' 568' ' ' GLN . 0.5 OUTLIER -61.11 -40.65 94.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 179.187 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 5.9 m-85 -58.57 -43.42 89.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.329 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 58.8 m -59.21 -50.98 71.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.358 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -64.75 -41.87 95.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.325 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.44 -55.46 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.549 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . 0.472 ' O ' ' CE ' ' A' ' 540' ' ' MET . . . -61.6 -44.07 97.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.541 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 80.7 p -55.59 -32.18 62.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.599 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 15.7 m -56.17 -43.47 78.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.72 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.93 -46.26 91.11 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 1.5 t -49.6 -44.81 47.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.67 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.6 mt -59.24 -41.87 89.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 98.7 t -63.07 -53.94 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.647 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.6 -39.0 92.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.609 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -58.19 -51.49 69.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 585' ' ' PHE . 71.1 ttp85 -67.47 -43.63 80.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.563 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 5.8 tt -53.06 -37.38 61.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.666 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -56.23 -42.61 77.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.664 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 582' ' ' ARG . 88.6 m-85 -103.66 131.78 50.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.613 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 8.1 tp -172.73 -58.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -55.69 -34.36 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 593' ' ' LEU . 59.6 tp60 54.92 61.41 2.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 1.5 m -89.33 23.28 2.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 26.6 pt -148.52 141.6 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -75.85 -8.52 57.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.596 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 19.3 m -42.48 -32.53 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.609 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . 0.507 ' O ' ' NE2' ' A' ' 588' ' ' GLN . 2.6 tt . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.573 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' VRB . . . . . 0.541 ' H13' ' OG1' ' A' ' 520' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 44.5 ttp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -157.19 152.44 26.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.572 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -155.75 140.87 17.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.506 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 24.7 t -89.94 115.77 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -62.64 150.06 41.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.594 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.524 ' C ' ' H ' ' A' ' 436' ' ' GLU . 5.4 tp -60.31 -22.13 62.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.504 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 90.9 p -47.95 -12.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.573 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' A' ' 434' ' ' LEU . 85.0 tt0 -64.14 -30.73 71.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' A' ' 437' ' ' LEU . 9.6 mp -93.15 155.56 17.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.587 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -151.46 -22.22 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -74.85 132.41 41.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.519 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.481 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 4.3 ptp180 -68.14 -26.74 65.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.659 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 61.1 tp60 -69.48 -31.5 69.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.635 -177.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 445' ' ' GLU . . . -70.4 -57.16 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -177.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 12.5 pt -43.33 -39.06 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.742 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 35.6 m-85 -62.19 -41.01 97.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 442' ' ' ALA . 49.6 tp10 -57.58 -36.37 71.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 94.9 m -60.73 -35.73 77.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.065 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.431 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.2 mt -80.28 -48.83 12.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . 0.504 ' CG1' ' OG ' ' A' ' 477' ' ' SER . 47.5 t -67.78 -39.4 81.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.125 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -61.21 -47.22 87.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.763 0.316 . . . . 0.0 110.863 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -69.41 -39.7 77.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.853 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -55.79 -52.42 48.66 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.439 -0.664 . . . . 0.0 111.439 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . 0.458 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 9.2 ptm180 -76.68 -29.98 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.065 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -77.49 -55.12 5.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.88 0.371 . . . . 0.0 110.751 -178.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 58.5 mt -67.54 -42.76 82.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.672 -177.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.612 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.7 mt -87.75 -15.26 37.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.682 -178.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 59.65 55.12 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 72.7 m -94.03 154.88 17.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.606 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -77.95 -50.71 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.45 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 553' ' ' HIS . 19.4 ttt180 -140.65 138.86 34.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.553 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 33.2 m -144.19 128.7 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.461 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 16.3 tt -113.91 139.01 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.766 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.02 129.6 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.404 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.505 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 24.8 p90 -141.14 142.82 34.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.707 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -83.05 145.93 29.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.388 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.4 m-85 -82.82 146.29 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.697 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -111.32 -172.55 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.464 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -80.13 -13.57 59.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.443 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -102.02 27.62 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.497 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . 0.599 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 7.0 m-85 54.85 18.04 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.333 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 44.3 t -108.79 133.07 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.71 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.403 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -83.02 173.42 52.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -177.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 89.4 m -148.1 111.83 5.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.778 0.323 . . . . 0.0 110.68 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 47.7 t -71.91 93.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.649 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.522 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 13.7 m -97.0 -20.1 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.339 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -148.5 131.57 16.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.384 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 486' ' ' ARG . 60.3 tt0 -157.74 153.15 26.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.675 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' SER . . . . . 0.504 ' OG ' ' CG1' ' A' ' 448' ' ' VAL . 82.5 p -137.52 126.26 23.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.579 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.84 143.01 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -60.88 172.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.71 177.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -73.59 127.49 32.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.425 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.65 -9.61 25.89 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . 0.449 ' CH2' ' O ' ' A' ' 555' ' ' ALA . 40.1 m95 -103.38 168.41 8.76 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.981 0.419 . . . . 0.0 110.798 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -84.96 129.34 3.93 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.972 2.448 . . . . 0.0 111.917 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -96.76 148.32 23.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.706 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 486' ' ' ARG . . . -115.85 -94.32 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 -179.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.447 ' CD ' ' H ' ' A' ' 476' ' ' GLU . 34.1 mmm-85 65.18 16.77 10.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.68 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -176.36 20.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -103.29 142.68 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.562 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 14.1 t -102.33 133.73 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.621 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 17.0 mt -102.04 118.65 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.743 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -118.71 88.14 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.255 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.721 ' C ' ' HE ' ' A' ' 496' ' ' ARG . 7.3 m-20 -129.13 83.54 65.56 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . 0.413 ' HD3' ' NH2' ' A' ' 496' ' ' ARG . 61.5 Cg_endo -74.58 39.61 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.695 2.263 . . . . 0.0 112.223 -175.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.756 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -97.9 -71.4 0.69 Allowed 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.198 179.307 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . 0.756 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 30.8 p90 -79.58 -52.54 7.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 118.864 0.756 . . . . 0.0 110.281 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.721 ' HE ' ' C ' ' A' ' 492' ' ' ASP . 7.5 ptt180 -52.48 -13.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.657 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . 0.422 ' OE1' ' CD2' ' A' ' 498' ' ' HIS . 5.1 tm-20 -91.18 -58.69 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.573 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 494' ' ' CYS . 1.7 m80 -91.46 -38.33 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.45 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . 0.528 ' N ' ' O ' ' A' ' 495' ' ' PHE . 8.9 m95 -82.65 21.84 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.494 -178.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.741 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 3.6 p -69.16 -70.45 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.52 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.741 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 21.8 pt-20 -48.85 -38.63 22.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.508 178.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -56.91 -44.26 82.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.1 m-85 -63.14 -40.84 98.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.592 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.599 ' NE ' ' O ' ' A' ' 544' ' ' ASP . 4.0 tpt180 -47.71 -33.6 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.715 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -80.37 -7.75 59.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.663 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 88.09 33.56 10.69 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . 0.534 ' O ' ' CG ' ' A' ' 539' ' ' PRO . 32.7 mmt180 -72.63 155.31 40.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 0.0 110.603 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 5.4 tt -137.11 152.04 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.425 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . 0.645 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 0.6 OUTLIER -131.36 121.39 24.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.689 177.257 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . 0.77 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -113.99 113.9 25.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.367 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' THR . . . . . 0.645 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.2 OUTLIER -130.22 109.2 10.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.614 177.822 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' THR . . . . . 0.519 ' OG1' ' NE2' ' A' ' 560' ' ' GLN . 60.0 m -62.96 -61.52 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.548 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.3 t0 -104.13 98.73 8.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.567 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 25.1 pt -54.45 -10.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.338 -177.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' ' 513' ' ' ASP . 18.0 m-85 -76.18 -13.65 60.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.419 -178.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -98.71 -11.68 21.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.573 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -132.39 116.49 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . 0.781 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 104.29 45.13 1.49 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 177.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 10.4 mt -57.23 30.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.722 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.781 ' H ' ' C ' ' A' ' 518' ' ' GLY . 72.9 p -77.56 -173.81 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.534 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.542 ' O ' ' ND2' ' A' ' 525' ' ' ASN . 21.0 pt-20 -110.03 -41.54 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.375 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 526' ' ' GLN . 6.2 t -70.41 -48.23 57.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.254 -178.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -56.07 -53.0 62.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.453 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 9.4 mt -57.76 -47.78 81.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 80.5 m-20 -72.39 -22.54 61.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.772 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 522' ' ' CYS . 5.0 tt0 -83.12 -30.44 27.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.624 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 8.9 mp -92.43 -33.8 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.569 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 6.2 mtp180 -43.2 -58.26 4.35 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.639 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 10.8 Cg_endo -55.15 -26.86 53.03 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.765 2.31 . . . . 0.0 112.052 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 24.6 mt -87.38 -8.6 56.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.545 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 531' ' ' LYS . 0.0 OUTLIER 54.07 27.16 7.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 7.9 t -75.71 124.24 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.474 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -127.05 75.41 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . 0.567 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.7 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.177 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . 0.541 ' ND2' ' OE1' ' A' ' 509' ' ' GLN . 24.6 t-20 -174.54 98.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.113 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 50.2 tp -134.02 113.2 11.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.196 177.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 18.4 m -124.35 120.97 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.26 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' A' ' 538' ' ' VAL . 8.7 p -119.68 107.46 40.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.976 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . 0.534 ' CG ' ' O ' ' A' ' 507' ' ' ARG . 31.5 Cg_exo -54.46 133.95 59.02 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.753 2.302 . . . . 0.0 112.4 -175.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 55.0 mmm -117.41 113.76 22.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.233 175.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.438 ' O ' ' CG2' ' A' ' 541' ' ' VAL . 4.0 m -122.53 125.11 72.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.957 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.585 ' O ' ' N ' ' A' ' 545' ' ' GLN . 96.4 mt -104.07 139.97 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.863 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . 0.4 ' O ' ' CB ' ' A' ' 544' ' ' ASP . 84.7 m-20 43.17 30.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -176.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . 0.599 ' O ' ' NE ' ' A' ' 504' ' ' ARG . 18.4 t0 75.75 25.75 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.414 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . 0.585 ' N ' ' O ' ' A' ' 542' ' ' ILE . 24.0 mt-30 -126.75 125.12 41.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.677 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 17.2 tp -62.76 92.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.517 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.1 OUTLIER -88.62 -38.11 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.578 -176.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . 0.504 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -155.24 -179.99 30.81 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.416 HD11 ' H ' ' A' ' 550' ' ' LEU . 34.9 tp -148.51 137.48 21.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.739 0.304 . . . . 0.0 110.369 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . 0.416 ' H ' HD11 ' A' ' 549' ' ' LEU . 23.4 tp -105.43 116.32 31.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.666 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.448 ' CG2' ' NE2' ' A' ' 553' ' ' HIS . 6.2 mt -121.74 133.97 66.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.501 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.43 140.88 44.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.543 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.454 ' O ' ' O ' ' A' ' 459' ' ' ARG . 38.9 m80 -137.62 139.22 40.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.614 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.514 ' H ' ' HB1' ' A' ' 534' ' ' ALA . 40.6 mm-40 -90.46 115.92 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.693 175.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.449 ' O ' ' CH2' ' A' ' 482' ' ' TRP . . . -83.88 -10.69 57.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.349 -178.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 42.2 t -100.32 -72.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.313 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.16 158.56 54.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.512 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -47.87 160.16 0.5 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.865 2.377 . . . . 0.0 112.012 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.615 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 43.2 ttt85 -153.94 150.07 27.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.64 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . 0.519 ' NE2' ' OG1' ' A' ' 512' ' ' THR . 8.9 tp-100 -110.49 110.2 20.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.432 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . 0.77 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.1 OUTLIER -82.82 119.63 24.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 178.793 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -70.49 160.2 32.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.328 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -57.99 -35.4 71.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 110.539 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . 0.474 ' O ' ' OE1' ' A' ' 568' ' ' GLN . 32.9 mm -61.21 -41.42 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.452 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.14 -31.98 70.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.527 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . 0.42 HD12 HG23 ' A' ' 566' ' ' ILE . 29.7 mm -66.78 -46.2 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.558 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -51.35 -49.19 61.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.513 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.474 ' OE1' ' O ' ' A' ' 564' ' ' ILE . 10.9 mp0 -61.98 -39.75 93.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.489 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . 0.612 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.4 m-85 -57.86 -43.88 86.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.329 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' SER . . . . . 0.488 ' O ' ' OG ' ' A' ' 574' ' ' SER . 11.7 t -58.18 -52.87 63.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.413 -178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . 0.421 ' O ' ' OG1' ' A' ' 575' ' ' THR . 95.2 mt-10 -64.75 -40.62 95.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.36 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.1 -54.88 31.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.478 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.54 89.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' A' ' 570' ' ' SER . 74.7 m -57.36 -33.08 67.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.604 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 571' ' ' GLU . 55.1 m -57.14 -46.82 82.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.687 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -54.5 -45.12 77.59 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 1.9 t -51.52 -41.39 60.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.705 0.288 . . . . 0.0 110.615 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -57.99 -43.86 86.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.667 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.48 -46.41 80.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.674 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 77.5 mt -65.48 -36.92 85.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.615 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.06 -41.48 78.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.604 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -64.38 -36.1 83.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.623 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 15.2 tp -53.81 -38.43 64.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.619 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -55.41 -32.58 62.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.67 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -98.43 131.34 44.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.702 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 589' ' ' THR . 26.5 tp -146.13 148.42 32.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.529 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . 0.442 ' C ' ' H ' ' A' ' 589' ' ' THR . 46.6 tp10 -40.68 -32.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.581 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . 0.424 ' C ' ' H ' ' A' ' 590' ' ' ILE . 96.2 mt-30 -79.94 29.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 586' ' ' LEU . 1.6 t -57.14 -9.11 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.58 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.424 ' H ' ' C ' ' A' ' 588' ' ' GLN . 26.9 mt -71.65 63.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.562 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -70.88 -17.28 62.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 593' ' ' LEU . 31.4 m -59.28 -34.59 72.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.614 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 592' ' ' SER . 16.0 tp . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.559 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' VRB . . . . . 0.598 ' H15' ' CG2' ' A' ' 520' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 88.7 mtp . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -98.78 130.39 45.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -84.26 113.44 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 33.4 m -97.84 134.68 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.531 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . 0.438 ' OE1' ' OE2' ' A' ' 436' ' ' GLU . 93.2 mt-30 -140.38 112.97 8.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 434' ' ' LEU . 8.8 mp -65.48 -32.21 73.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 84.0 p -57.85 -35.36 70.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.569 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . 0.438 ' OE2' ' OE1' ' A' ' 433' ' ' GLN . 98.4 mt-10 -68.79 -36.74 78.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 30.0 mt -76.89 146.22 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -132.96 157.81 44.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.661 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -73.39 53.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.521 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.466 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 4.1 ptp85 -59.19 -27.65 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.676 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . 0.543 ' CD ' HH21 ' A' ' 486' ' ' ARG . 42.4 tp60 -68.79 -29.98 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.679 -176.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.65 -57.84 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.613 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 13.8 pt -45.13 -38.56 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.786 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -59.42 -45.01 92.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.012 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 97.2 mt-10 -58.03 -34.65 70.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.145 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 71.9 m -60.59 -31.45 70.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.99 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 447' ' ' LEU . 1.9 mt -82.22 -49.0 10.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 74.3 t -69.99 -35.7 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.116 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -64.76 -48.08 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.788 0.328 . . . . 0.0 110.811 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -72.86 -36.74 67.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -58.05 -51.73 56.61 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -79.23 -29.49 42.75 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.991 -0.283 . . . . 0.0 111.053 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -76.69 -54.53 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.715 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 53.3 mt -69.27 -44.37 72.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.645 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.1 mt -84.62 -14.42 48.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.729 -178.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.62 55.71 3.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.371 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 76.6 m -94.61 152.85 18.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.694 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.435 ' OD2' ' OE1' ' A' ' 554' ' ' GLN . 80.1 m-20 -75.52 -53.55 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.49 -178.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.488 ' O ' ' O ' ' A' ' 553' ' ' HIS . 35.0 ttt180 -143.01 142.34 31.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.517 -177.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 34.4 m -147.05 135.21 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.467 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 15.1 mt -114.27 137.04 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.766 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.46 124.87 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.529 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 24.5 p90 -140.99 141.18 34.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.653 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -82.31 148.49 28.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.405 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.6 m-85 -81.64 147.21 29.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.603 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -111.57 -172.7 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.494 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 52.7 p30 -81.31 -10.9 59.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.467 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . 0.418 ' N ' ' OD1' ' A' ' 467' ' ' ASP . 92.7 m-20 -105.64 26.07 10.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.499 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . 0.447 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.2 m-85 55.47 20.71 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.382 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 23.0 t -110.06 131.93 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.63 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.425 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -78.39 170.1 54.68 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 64.1 m -145.72 105.84 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.53 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . 0.417 ' HB ' ' H ' ' A' ' 488' ' ' GLN . 19.1 t -68.81 96.91 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.687 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.475 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 11.6 p -94.17 -21.81 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.283 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.91 133.62 15.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.357 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -153.6 153.15 31.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.656 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 42.0 t -139.54 128.25 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.4 m -132.55 139.34 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 -177.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -55.69 170.02 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.704 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -73.85 125.58 28.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.441 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.72 -10.63 25.57 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -103.0 147.78 34.63 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.811 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -66.45 127.9 18.21 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.056 2.504 . . . . 0.0 111.892 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -88.23 147.14 24.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.779 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 486' ' ' ARG . . . -114.68 -96.23 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.543 HH21 ' CD ' ' A' ' 441' ' ' GLN . 20.6 ttt180 58.17 133.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.677 -178.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 68.79 21.13 7.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . 0.417 ' H ' ' HB ' ' A' ' 473' ' ' VAL . 26.3 mt-30 -104.35 151.84 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.492 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 8.8 p -108.69 129.29 63.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.684 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 54.0 mt -104.76 127.76 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.711 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' A' ' 492' ' ' ASP . 70.6 tt0 -118.53 96.96 5.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.284 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.69 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 16.1 m-20 -135.55 82.51 39.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.738 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . 0.504 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 73.3 Cg_endo -78.09 40.97 0.94 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.721 2.281 . . . . 0.0 112.23 -175.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.768 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -100.74 -75.48 0.58 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 118.956 -0.545 . . . . 0.0 109.843 178.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . 0.768 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 23.5 p90 -75.19 -51.59 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.067 0.394 . . . . 0.0 110.312 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.69 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 29.2 ptt180 -54.24 -15.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.601 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 68.8 tt0 -89.82 -58.7 2.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.522 -178.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . 0.529 ' C ' ' H ' ' A' ' 500' ' ' VAL . 1.2 m80 -91.23 -46.8 7.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.455 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' ' 495' ' ' PHE . 12.0 m95 -73.73 21.74 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.548 -178.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.734 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 3.6 p -67.35 -70.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.463 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.734 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 22.2 pt-20 -50.16 -39.13 42.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -55.08 -45.82 75.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.473 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.1 m-85 -62.44 -40.09 95.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.612 178.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.586 ' NE ' ' O ' ' A' ' 544' ' ' ASP . 5.7 tpt180 -48.89 -37.54 20.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.753 177.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -76.09 -8.06 56.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.692 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 90.2 34.6 8.03 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -76.22 155.33 34.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.824 0.345 . . . . 0.0 110.596 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.5 pt -139.15 159.14 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.516 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . 0.609 ' O ' ' NE2' ' A' ' 509' ' ' GLN . 0.0 OUTLIER -140.96 124.68 16.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.657 177.329 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . 0.742 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.02 118.31 32.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.388 -177.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' THR . . . . . 0.509 ' OG1' ' OE1' ' A' ' 509' ' ' GLN . 0.3 OUTLIER -128.56 107.24 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.711 177.233 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' THR . . . . . 0.443 ' OG1' ' OE1' ' A' ' 560' ' ' GLN . 99.6 m -61.31 -60.35 3.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.516 -178.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.586 ' OD1' ' N ' ' A' ' 513' ' ' ASP . 8.5 p-10 -105.07 99.91 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.598 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.601 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 40.4 pt -52.83 -8.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.32 -179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . 0.531 ' H ' ' C ' ' A' ' 513' ' ' ASP . 35.1 m-85 -82.24 7.3 14.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.503 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.74 -10.41 14.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.641 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -128.22 113.26 15.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . 0.715 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 81.54 46.16 6.99 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . 0.406 ' CD2' ' O ' ' A' ' 515' ' ' PHE . 11.7 mt -49.68 -1.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.708 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.715 ' H ' ' C ' ' A' ' 518' ' ' GLY . 35.2 m -153.58 128.47 9.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.534 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.782 ' OE1' ' H15' ' A' ' 600' ' ' VRB . 6.1 pt-20 159.01 171.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.376 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 526' ' ' GLN . 25.5 p -65.76 -27.6 68.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.218 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.493 ' HE2' H421 ' A' ' 600' ' ' VRB . 3.7 t60 -52.21 -50.37 62.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.48 -176.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.42 -50.69 70.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.471 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -73.4 -20.72 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.752 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 522' ' ' CYS . 5.4 tt0 -87.15 -27.12 23.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.629 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 9.4 mp -101.11 -11.16 19.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.596 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 2.3 ttt85 -55.57 -44.81 99.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.644 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 12.7 Cg_exo -69.39 -25.68 30.08 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.846 2.364 . . . . 0.0 112.069 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 37.7 mt -85.76 -13.27 48.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.505 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.461 ' HZ1' ' NH2' ' A' ' 533' ' ' ARG . 6.1 tptp 63.53 25.09 14.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.498 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 7.0 t -69.57 112.29 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.526 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . 0.461 ' NH2' ' HZ1' ' A' ' 531' ' ' LYS . 75.1 mtt180 -122.34 74.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . 0.601 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.14 -170.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.266 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . 0.586 ' ND2' HE22 ' A' ' 509' ' ' GLN . 24.2 t30 -174.94 99.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 111.063 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 39.3 tp -134.25 113.63 12.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.149 177.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 19.4 m -115.58 121.84 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.228 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.402 ' O ' ' CD1' ' A' ' 549' ' ' LEU . 69.4 t -119.92 112.69 34.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.902 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.88 133.86 37.82 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.812 2.341 . . . . 0.0 112.332 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 46.4 mmm -114.41 117.33 30.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.152 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 12.5 t -119.62 128.2 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.98 0.419 . . . . 0.0 110.894 -176.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.617 ' O ' ' N ' ' A' ' 545' ' ' GLN . 28.6 mm -109.55 135.11 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.883 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 544' ' ' ASP . 58.8 t0 41.03 30.89 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.097 0.475 . . . . 0.0 109.857 -177.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . 0.586 ' O ' ' NE ' ' A' ' 504' ' ' ARG . 11.9 t0 80.25 25.59 0.34 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.474 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . 0.617 ' N ' ' O ' ' A' ' 542' ' ' ILE . 24.4 mt-30 -130.37 126.62 37.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.613 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.04 94.83 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.521 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.681 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -94.67 -30.7 14.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.572 -176.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . 0.681 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -155.73 -178.9 30.39 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -177.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.449 HD11 ' N ' ' A' ' 550' ' ' LEU . 11.2 tp -153.85 139.8 18.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.727 0.299 . . . . 0.0 110.393 -178.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . 0.449 ' N ' HD11 ' A' ' 549' ' ' LEU . 25.8 tp -107.75 119.39 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.663 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.638 ' CG2' ' HE2' ' A' ' 553' ' ' HIS . 1.9 mt -124.29 132.53 71.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . 0.473 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -117.79 148.03 42.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.638 ' HE2' ' CG2' ' A' ' 551' ' ' ILE . 0.4 OUTLIER -151.36 149.29 29.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.676 178.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.435 ' OE1' ' OD2' ' A' ' 458' ' ' ASP . 87.2 mm-40 -87.47 121.26 29.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.763 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -80.74 -9.5 59.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.281 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' SER . . . . . 0.412 ' OG ' ' OD2' ' A' ' 458' ' ' ASP . 58.8 p -99.72 -72.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.307 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -142.17 159.08 59.96 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.485 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -49.1 163.53 0.33 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.864 2.376 . . . . 0.0 112.031 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.57 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 37.1 ttt85 -159.07 151.85 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.662 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . 0.443 ' OE1' ' OG1' ' A' ' 512' ' ' THR . 67.8 tp60 -109.06 107.58 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.489 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . 0.742 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.2 OUTLIER -82.07 119.88 24.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.706 179.432 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -71.12 159.21 35.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.356 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -56.33 -33.39 65.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.446 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . 0.426 HG21 HD12 ' A' ' 564' ' ' ILE . 93.1 mt -66.67 -38.18 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.437 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.41 -32.49 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.618 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 23.0 mt -73.13 -42.44 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.556 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -51.13 -48.75 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.502 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.571 ' OE1' ' N ' ' A' ' 568' ' ' GLN . 0.5 OUTLIER -59.75 -41.55 91.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.539 179.313 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.7 m-85 -57.43 -41.17 79.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.429 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 65.5 m -60.03 -51.46 69.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.358 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.54 -43.16 97.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.354 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.39 -53.83 49.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.473 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.8 97.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' SER . . . . . 0.558 ' O ' ' OG ' ' A' ' 577' ' ' SER . 90.0 p -58.83 -33.35 70.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 23.8 m -49.82 -53.12 27.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.724 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -52.04 -39.85 50.04 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' SER . . . . . 0.558 ' OG ' ' O ' ' A' ' 574' ' ' SER . 11.3 p -49.46 -47.85 48.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.673 0.273 . . . . 0.0 110.686 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 12.3 mt -50.3 -41.42 50.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.731 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.99 -46.53 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.602 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 580' ' ' LEU . 9.7 mp -65.38 -35.86 82.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.615 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -56.64 -39.63 74.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.541 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -69.7 -35.26 74.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.589 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 32.3 tp -59.22 -37.21 76.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.689 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -55.88 -39.22 71.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.686 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -100.82 136.27 40.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.651 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 38.4 mt -75.2 79.98 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.457 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -71.15 -23.41 62.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.554 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -80.91 48.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.565 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 58.3 p -61.14 -16.03 39.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.616 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 58.9 mt -110.56 87.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.557 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -76.4 -8.7 57.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 29.7 t -55.85 -39.02 70.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.604 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . 0.437 ' CD1' ' N ' ' A' ' 593' ' ' LEU . 10.4 mp . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.564 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' VRB . . . . . 0.782 ' H15' ' OE1' ' A' ' 521' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 16.1 mmt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -160.53 143.16 13.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 40.19 72.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 32.8 m -59.0 129.89 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.506 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -69.87 120.78 16.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.613 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.571 ' C ' ' H ' ' A' ' 436' ' ' GLU . 5.7 tp -66.16 -22.55 66.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.499 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.625 ' C ' ' H ' ' A' ' 437' ' ' LEU . 43.0 t -50.63 -7.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.523 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . 0.571 ' H ' ' C ' ' A' ' 434' ' ' LEU . 45.0 tt0 -68.97 27.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.625 ' H ' ' C ' ' A' ' 435' ' ' SER . 14.5 tp -77.94 124.85 28.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.62 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 40.7 82.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.651 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -63.53 165.13 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.518 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.5 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 2.9 ptp180 -54.25 -27.76 36.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.669 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . 0.542 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 1.6 tm0? -67.83 -34.2 76.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.737 -177.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.16 -58.21 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.594 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 14.4 pt -43.21 -39.49 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.746 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 29.5 m-85 -59.35 -44.24 92.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.991 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.506 ' OE2' ' NE2' ' A' ' 441' ' ' GLN . 96.5 mt-10 -54.96 -35.06 63.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 89.6 m -59.05 -34.82 72.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.992 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 447' ' ' LEU . 1.3 mt -79.14 -49.56 12.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.232 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.48 -37.22 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.113 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -63.16 -45.43 91.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.853 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 454' ' ' LEU . 4.1 mptt -72.37 -46.65 54.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.2 -49.37 31.0 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 35.5 ptt85 -76.97 -32.91 57.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.67 0.271 . . . . 0.0 111.069 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -78.32 -58.69 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.797 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 450' ' ' LYS . 46.5 mt -59.4 -41.74 90.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.692 -177.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.613 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.4 mt -90.51 -11.06 41.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.739 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 58.79 54.08 5.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.36 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . 0.696 ' HG ' HE21 ' A' ' 554' ' ' GLN . 5.9 t -93.7 153.2 18.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.703 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -76.47 -50.91 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.492 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.534 ' O ' ' O ' ' A' ' 553' ' ' HIS . 26.7 ttt180 -141.6 140.56 33.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.561 -178.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 18.9 m -146.99 136.1 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.409 178.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 17.5 mt -114.74 142.22 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.801 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 5.7 t -139.24 127.26 26.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.454 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 26.1 p90 -140.21 159.05 43.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.671 -178.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -99.15 142.41 30.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.499 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 547' ' ' PHE . 1.7 m-85 -83.22 146.12 28.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -111.71 -171.26 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.512 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 54.3 p30 -82.82 -12.65 57.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.483 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 467' ' ' ASP . 91.8 m-20 -105.95 31.98 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.458 -178.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . 0.534 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 51.1 m-85 53.14 17.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.417 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 42.7 t -107.38 127.26 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.616 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -86.63 177.91 48.59 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' THR . . . . . 0.458 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 53.9 m -149.47 110.2 4.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.78 0.324 . . . . 0.0 110.632 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . 0.446 ' HB ' ' H ' ' A' ' 488' ' ' GLN . 43.1 t -69.43 84.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.67 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 28.3 m -80.23 -20.29 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.354 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.33 136.27 15.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.351 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -151.86 152.46 32.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.689 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 60.3 p -138.9 126.73 22.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.586 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.2 m -134.71 139.14 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.574 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -56.34 171.33 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.669 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -74.41 125.31 28.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.471 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.49 -10.8 26.06 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -102.2 148.07 34.87 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 110.774 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -63.51 128.65 22.94 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.922 2.414 . . . . 0.0 111.918 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -92.69 146.63 23.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.714 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -115.21 -96.89 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.655 HH11 ' CG ' ' A' ' 486' ' ' ARG . 0.0 OUTLIER 68.1 128.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.651 -178.791 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 473' ' ' VAL . 29.4 t0 67.15 26.21 8.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.53 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . 0.446 ' H ' ' HB ' ' A' ' 473' ' ' VAL . 73.5 mt-30 -101.99 146.32 28.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 178.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 46.1 t -101.59 129.43 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 48.0 mt -102.03 119.13 49.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.688 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . 0.428 ' O ' ' OD1' ' A' ' 492' ' ' ASP . 66.7 tt0 -115.56 93.85 4.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.303 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.77 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 69.7 m-20 -134.33 80.11 53.19 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.708 179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . 0.522 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 58.6 Cg_endo -74.1 38.96 0.5 Allowed 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.821 2.347 . . . . 0.0 112.176 -176.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.706 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -98.52 -78.21 0.5 Allowed 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.049 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . 0.706 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 31.2 p90 -75.82 -54.83 6.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.881 0.372 . . . . 0.0 110.328 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.77 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 21.5 ptt180 -49.77 -13.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.639 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 495' ' ' PHE . 58.7 tt0 -91.09 -58.14 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.545 -177.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -95.75 -45.02 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.471 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -65.78 -3.54 5.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.477 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.727 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 6.0 p -50.03 -66.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.519 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.727 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 21.4 pt-20 -48.15 -37.61 16.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.526 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.69 98.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.571 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.0 m-85 -61.58 -39.9 92.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.66 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.753 HH21 ' H ' ' A' ' 546' ' ' LEU . 1.7 mpt_? -50.93 -36.79 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.774 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -74.98 -10.17 59.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.689 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 90.12 35.44 7.6 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 178.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -77.53 154.2 32.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.784 0.326 . . . . 0.0 110.58 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . 0.441 ' CG1' ' N ' ' A' ' 509' ' ' GLN . 4.3 tt -139.39 155.93 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.452 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . 0.58 ' O ' ' NE2' ' A' ' 509' ' ' GLN . 0.7 OUTLIER -131.62 122.69 26.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.69 178.021 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . 0.774 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.46 114.19 23.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.383 -177.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -129.64 111.55 12.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.645 177.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' THR . . . . . 0.488 ' OG1' ' NE2' ' A' ' 560' ' ' GLN . 61.7 m -62.78 -58.23 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.51 -179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' A' ' 515' ' ' PHE . 38.7 t0 -106.61 99.9 9.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.585 -178.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.653 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 43.6 pt -54.33 -11.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.347 -178.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . 0.464 ' H ' ' C ' ' A' ' 513' ' ' ASP . 16.9 m-85 -74.23 -12.91 60.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.436 -177.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -100.23 -13.67 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.83 115.99 17.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.515 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . 0.719 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 102.64 43.96 1.89 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.99 34.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.728 0.299 . . . . 0.0 110.676 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.719 ' H ' ' C ' ' A' ' 518' ' ' GLY . 40.7 m -75.95 179.6 5.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.54 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.67 ' H ' ' CG2' ' A' ' 520' ' ' THR . 7.2 pt-20 -104.04 -48.69 3.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.37 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 13.7 p -72.29 -44.15 63.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.222 -177.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.609 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 2.4 t60 -58.77 -55.38 35.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.393 -177.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 520' ' ' THR . 38.8 mt -52.17 -46.0 65.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.495 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 80.7 m-20 -72.53 -9.69 58.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.79 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -90.86 -28.81 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.619 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 527' ' ' LEU . 9.2 mp -96.85 -20.12 18.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.589 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 2.8 ttt180 -54.34 -45.42 99.28 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.69 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 12.4 Cg_exo -69.12 -29.21 27.31 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.8 2.333 . . . . 0.0 112.076 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.441 ' O ' ' NH1' ' A' ' 459' ' ' ARG . 35.4 mt -85.28 -13.02 51.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.51 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? 65.2 23.62 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.465 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 13.7 t -70.58 114.56 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.522 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -123.78 73.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.588 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . 0.653 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 172.08 -169.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.19 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . 0.54 ' ND2' ' OE1' ' A' ' 509' ' ' GLN . 19.6 t-20 -172.86 101.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 111.032 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 61.5 tp -136.73 112.37 9.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.125 177.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 35.1 m -117.17 120.16 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.976 0.417 . . . . 0.0 111.163 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' A' ' 549' ' ' LEU . 2.1 t -115.91 109.6 44.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.998 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -62.83 133.28 41.02 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.799 2.332 . . . . 0.0 112.33 -174.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 70.8 mmm -125.46 102.35 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.207 176.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.45 ' O ' ' CG2' ' A' ' 541' ' ' VAL . 3.6 m -117.48 123.02 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.979 -176.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 545' ' ' GLN . 75.3 mt -105.7 141.88 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.913 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 45.27 41.07 5.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 61.81 26.52 16.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.477 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 542' ' ' ILE . 7.7 tt0 -127.47 132.81 49.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.589 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . 0.753 ' H ' HH21 ' A' ' 504' ' ' ARG . 18.3 tp -68.43 92.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.525 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 465' ' ' PHE . 0.0 OUTLIER -81.89 -41.15 21.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.583 -177.557 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . 0.446 ' N ' ' CD2' ' A' ' 547' ' ' PHE . . . -162.59 -179.48 37.21 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -177.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.438 ' CD1' ' O ' ' A' ' 538' ' ' VAL . 14.5 tp -147.62 139.07 23.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.773 0.32 . . . . 0.0 110.353 -178.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . 0.403 ' N ' HD13 ' A' ' 549' ' ' LEU . 21.7 tp -103.23 110.25 22.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.444 ' HA ' ' O ' ' A' ' 536' ' ' LEU . 0.2 OUTLIER -115.78 132.03 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 -178.776 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . 0.485 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -122.26 147.94 45.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.534 ' O ' ' O ' ' A' ' 459' ' ' ARG . 1.2 m80 -151.99 149.15 28.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.696 HE21 ' HG ' ' A' ' 457' ' ' CYS . 24.4 mp0 -94.55 108.98 20.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.729 177.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.92 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.319 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 557' ' ' GLU . 93.4 p -67.82 -72.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.268 -178.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.454 ' N ' ' OG ' ' A' ' 556' ' ' SER . 41.8 mt-10 -146.49 159.42 44.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.479 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -46.31 162.44 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.946 2.431 . . . . 0.0 112.038 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.62 ' NH1' ' NE2' ' A' ' 554' ' ' GLN . 23.4 ttt-85 -159.13 153.08 23.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.692 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . 0.488 ' NE2' ' OG1' ' A' ' 512' ' ' THR . 9.4 tp-100 -111.83 109.78 19.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.516 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . 0.774 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.1 OUTLIER -80.53 117.49 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.7 178.061 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -68.77 161.23 28.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.37 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -58.38 -34.98 71.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.472 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 37.1 mm -63.9 -38.78 83.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.465 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.15 -33.08 74.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.498 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.37 -45.74 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.587 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -52.53 -48.2 66.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.579 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.597 ' OE1' ' N ' ' A' ' 568' ' ' GLN . 0.5 OUTLIER -61.71 -40.12 93.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.291 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . 0.613 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.4 m-85 -57.48 -42.48 82.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.371 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 11.2 t -59.92 -51.34 70.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.374 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -63.19 -42.35 99.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.365 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 16.4 tp -62.27 -52.5 63.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.489 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -64.25 -42.16 96.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.623 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.7 p -56.05 -32.62 64.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.571 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.0 m -59.08 -43.37 91.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.762 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.27 -46.06 87.08 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 1.5 t -50.2 -43.45 52.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.729 0.3 . . . . 0.0 110.712 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -56.25 -42.2 77.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.67 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.07 -48.58 88.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.55 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.462 ' CD1' ' CE1' ' A' ' 547' ' ' PHE . 25.4 mt -69.85 -33.1 71.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.695 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -56.87 -43.01 80.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 585' ' ' PHE . 90.8 mtt-85 -64.85 -42.3 95.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.59 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 35.6 tp -61.69 -41.36 97.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.645 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -73.48 -34.58 65.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.666 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 0.463 ' CG ' ' N ' ' A' ' 586' ' ' LEU . 67.8 t80 -96.02 167.25 11.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.614 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . 0.463 ' N ' ' CG ' ' A' ' 585' ' ' PHE . 6.1 tp 57.04 53.46 7.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.548 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.72 -42.07 99.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -173.73 40.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.561 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 37.9 m -64.26 -23.89 67.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 15.0 pt -67.66 61.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.645 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -76.73 -42.71 40.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.556 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 87.8 p -60.88 -27.57 68.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.561 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.572 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' VRB . . . . . 0.598 ' H14' ' OG1' ' A' ' 520' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 78.2 mmm . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -155.48 142.02 18.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.621 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -67.96 -41.38 82.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.485 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 25.8 t -69.72 132.21 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -74.59 130.86 40.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.33 -28.15 69.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 23.3 t -51.57 -40.24 59.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.2 -46.76 72.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 6.5 tp -53.34 105.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.607 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -173.83 -81.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.578 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -78.88 140.6 38.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.514 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.475 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 4.6 ptp180 -60.75 -27.04 67.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . 0.519 ' OE1' ' NH2' ' A' ' 486' ' ' ARG . 61.4 tp60 -68.74 -29.34 67.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.708 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.17 -58.01 4.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.61 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 13.8 pt -45.19 -38.43 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . 0.403 ' N ' HG13 ' A' ' 443' ' ' ILE . 31.1 m-85 -61.18 -46.44 90.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.011 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 77.6 mm-40 -52.27 -37.9 56.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.02 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 97.1 m -60.33 -46.25 90.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.999 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.427 ' N ' HD21 ' A' ' 447' ' ' LEU . 1.7 mt -62.04 -53.82 50.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.37 -38.25 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.148 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -62.43 -45.91 90.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.821 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -70.91 -43.1 68.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.827 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -51.53 -50.49 41.85 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 9.4 ptm180 -77.97 -30.63 50.36 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.071 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -77.89 -55.76 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.738 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 39.7 mt -65.76 -41.41 92.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.682 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 11.9 mt -89.86 -13.22 36.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.803 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 58.99 55.33 4.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.339 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 76.0 m -95.12 154.78 17.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.741 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -77.7 -51.59 10.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.493 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 553' ' ' HIS . 21.8 ttt180 -139.06 140.24 38.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 19.7 m -145.82 133.04 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.515 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 25.3 mt -114.9 137.53 48.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.829 -178.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 2.6 t -135.71 126.23 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.466 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 27.0 p90 -140.65 145.35 36.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.609 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -85.39 146.55 26.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.411 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 547' ' ' PHE . 1.9 m-85 -82.18 147.36 29.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -111.85 -172.18 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.549 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 58.8 p30 -81.65 -12.48 58.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 467' ' ' ASP . 83.4 m-20 -104.75 28.07 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.497 -179.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . 0.424 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 7.4 m-85 54.61 19.71 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.394 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 39.1 t -109.48 129.13 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.572 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.423 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -79.53 173.35 55.17 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -177.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 68.8 m -147.39 107.1 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.64 92.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.737 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.512 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 15.0 p -89.26 -21.81 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.362 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.75 137.57 16.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.431 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -154.93 152.96 30.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.704 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 57.7 m -139.97 127.99 22.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.633 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.14 142.32 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.591 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -58.16 172.83 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.684 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -75.49 126.13 30.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.442 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 113.83 -12.8 22.53 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -99.8 167.9 10.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.811 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -85.52 127.85 3.34 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 123.046 2.497 . . . . 0.0 111.887 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -90.54 147.44 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.694 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -113.87 -105.03 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.656 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.519 ' NH2' ' OE1' ' A' ' 441' ' ' GLN . 0.0 OUTLIER 67.27 124.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.671 -178.366 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 18.0 t0 73.78 18.35 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.575 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -102.55 149.46 24.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.553 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 7.8 p -105.13 128.77 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 70.1 mt -104.01 119.38 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.708 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . 0.429 ' HA ' HH12 ' A' ' 496' ' ' ARG . 87.4 mt-10 -111.5 95.1 5.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.324 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.654 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 0.3 OUTLIER -130.8 75.42 78.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 179.192 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . 0.576 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 46.2 Cg_endo -70.16 32.51 0.2 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.758 2.305 . . . . 0.0 112.174 -178.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.769 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -92.78 -77.83 0.43 Allowed 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.89 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . 0.769 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 24.9 p90 -76.66 -50.84 12.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 0.0 110.343 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.654 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 26.6 ptt180 -52.93 -14.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.655 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . 0.454 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 74.4 tt0 -89.89 -58.89 2.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.563 -178.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . 0.489 ' C ' ' H ' ' A' ' 500' ' ' VAL . 3.4 m80 -92.66 -42.81 9.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.453 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . 0.459 ' N ' ' O ' ' A' ' 495' ' ' PHE . 12.7 m95 -75.51 22.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 -178.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.737 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 4.1 p -71.47 -69.38 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.737 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 20.4 mt-10 -47.7 -38.26 14.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -59.02 -44.16 91.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 506' ' ' GLY . 3.8 m-85 -62.43 -40.66 97.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.585 HH21 ' CB ' ' A' ' 546' ' ' LEU . 15.3 mmt85 -49.25 -35.47 17.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -77.52 -8.77 58.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 89.11 35.62 8.05 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -78.39 155.46 29.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.628 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.8 pt -137.64 157.32 33.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.439 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . 0.604 ' NE2' ' ND2' ' A' ' 535' ' ' ASN . 1.4 tm0? -134.25 119.57 18.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.638 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . 0.721 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -112.59 113.53 25.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.361 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' THR . . . . . 0.548 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.0 OUTLIER -128.04 106.03 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.645 178.017 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 64.4 m -61.91 -62.04 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.494 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.516 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.9 t0 -102.89 96.71 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.541 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 43.9 pt -51.85 -10.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.309 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . 0.516 ' H ' ' C ' ' A' ' 513' ' ' ASP . 23.3 m-85 -78.58 3.12 17.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.483 -178.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -115.58 -13.56 11.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.633 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -130.03 114.53 15.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.586 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . 0.709 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 100.17 44.84 2.13 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 178.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.34 35.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 0.0 110.608 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.709 ' H ' ' C ' ' A' ' 518' ' ' GLY . 2.4 m -76.84 -172.63 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.494 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.559 ' H ' ' CG2' ' A' ' 520' ' ' THR . 21.2 pt-20 -112.6 -43.35 3.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.352 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 521' ' ' GLU . 49.8 t -70.51 -40.3 73.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.213 -178.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.549 ' CB ' ' H11' ' A' ' 600' ' ' VRB . 7.2 t60 -61.02 -54.32 46.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.422 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.68 -46.37 63.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.434 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -72.81 -8.34 55.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.743 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -92.45 -30.33 15.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.592 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 10.9 mp -98.36 -29.2 13.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.582 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.523 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 7.7 mtp180 -41.39 -59.06 2.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.649 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 18.2 Cg_endo -60.91 -24.56 79.62 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.792 2.328 . . . . 0.0 112.074 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 26.5 mt -86.23 -11.56 52.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.522 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 531' ' ' LYS . 0.0 OUTLIER 54.12 27.59 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.55 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . 0.439 HG21 ' H31' ' A' ' 600' ' ' VRB . 5.9 t -76.09 124.66 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.54 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . 0.437 ' HE ' ' HD3' ' A' ' 558' ' ' PRO . 27.9 mtp85 -124.57 73.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 178.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . 0.541 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.25 -174.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.251 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . 0.604 ' ND2' ' NE2' ' A' ' 509' ' ' GLN . 42.7 t-20 -177.31 100.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.03 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 28.8 tp -132.26 118.49 19.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.118 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 34.9 m -116.8 122.89 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.193 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.435 ' O ' ' CD1' ' A' ' 549' ' ' LEU . 73.5 t -120.43 111.39 34.98 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.947 178.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.31 133.1 33.73 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.778 2.319 . . . . 0.0 112.321 -173.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.448 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 66.4 mmm -117.45 109.18 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.262 175.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.1 t -118.88 124.92 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.961 0.41 . . . . 0.0 110.956 -175.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 545' ' ' GLN . 88.0 mt -113.27 139.68 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.845 177.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 44.98 35.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.056 0.455 . . . . 0.0 109.811 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 0.9 OUTLIER 68.96 25.37 6.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.445 179.33 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 542' ' ' ILE . 8.5 tt0 -127.58 136.33 51.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . 0.585 ' CB ' HH21 ' A' ' 504' ' ' ARG . 14.9 tp -72.8 93.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.543 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -86.54 -37.97 17.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.58 -176.791 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . 0.577 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -157.03 -178.94 31.58 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 538' ' ' VAL . 15.4 tp -153.3 138.23 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.704 0.288 . . . . 0.0 110.354 -178.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . 0.425 ' N ' HD13 ' A' ' 549' ' ' LEU . 22.9 tp -105.13 116.88 32.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.678 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.419 ' CG2' ' NE2' ' A' ' 553' ' ' HIS . 5.0 mt -121.39 132.38 70.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.555 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.94 146.66 36.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.634 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.711 ' CE1' ' H33' ' A' ' 600' ' ' VRB . 34.1 m80 -142.99 135.65 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.513 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 19.4 mp0 -96.96 103.04 14.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.799 176.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.33 86.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.307 -177.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 33.4 t -60.38 -72.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.325 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.13 161.7 29.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.536 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . 0.437 ' HD3' ' HE ' ' A' ' 533' ' ' ARG . 5.4 Cg_endo -46.13 157.92 0.36 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.888 2.392 . . . . 0.0 112.024 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.568 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 43.1 ttt85 -155.02 150.47 27.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.52 109.42 19.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.449 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . 0.721 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.2 OUTLIER -82.1 118.56 23.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.763 178.209 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -70.78 160.97 31.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.323 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.13 -33.35 67.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.466 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . 0.445 HG23 HE21 ' A' ' 568' ' ' GLN . 22.0 mm -63.48 -39.74 86.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.436 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.576 ' OE1' ' N ' ' A' ' 565' ' ' GLU . 3.1 mp0 -62.11 -32.34 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.609 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 20.4 mm -67.62 -44.87 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . 0.44 ' O ' ' OG ' ' A' ' 570' ' ' SER . 93.8 m-20 -53.76 -49.37 68.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.565 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.445 HE21 HG23 ' A' ' 564' ' ' ILE . 40.8 mt-30 -59.54 -41.4 89.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . 0.626 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 6.2 m-85 -58.28 -42.28 86.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.438 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 567' ' ' ASP . 60.0 p -60.19 -53.35 58.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.417 -178.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . 0.436 ' O ' ' OG1' ' A' ' 575' ' ' THR . 79.1 mm-40 -62.34 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.355 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 39.4 tp -63.3 -53.93 45.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.52 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.02 88.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.533 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.3 p -58.12 -31.92 67.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 571' ' ' GLU . 49.0 m -56.72 -49.01 76.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.729 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -54.27 -44.41 75.42 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -41.01 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.649 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.38 -42.6 87.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.612 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 46.8 t -69.48 -41.41 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.639 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 93.6 mt -60.7 -38.37 84.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.664 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.72 -41.24 97.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -76.26 -37.48 57.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.555 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 28.5 tp -66.88 -27.82 67.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.635 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -54.31 -46.84 72.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -100.49 123.62 44.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.675 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 6.4 tp -174.18 93.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.575 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -61.71 -45.87 92.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.536 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 40.31 -128.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.526 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 14.9 t -131.12 16.57 5.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.59 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 12.8 pt -75.86 63.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.603 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.52 76.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 23.0 t -54.84 -40.1 69.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.623 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . 0.443 ' CD1' ' N ' ' A' ' 593' ' ' LEU . 10.2 mp . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.542 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' VRB . . . . . 0.711 ' H33' ' CE1' ' A' ' 553' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 74.9 mtm . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . 43.54 -104.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -62.53 143.43 57.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.37 132.8 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.611 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -121.41 153.73 37.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.557 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 42.2 tp -50.21 -44.88 53.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.572 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 28.4 t -69.88 -28.32 65.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.514 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -86.25 24.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.639 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.41 ' C ' ' CD2' ' A' ' 437' ' ' LEU . 2.9 tt -51.52 113.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.585 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -79.52 128.02 32.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.643 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 440' ' ' ARG . 56.0 t0 -80.56 149.74 29.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.523 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.476 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 2.2 ptp180 -54.41 -28.06 41.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.591 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . 0.559 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 34.5 tp60 -68.9 -29.41 67.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.64 -177.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.39 -57.57 5.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . 0.523 ' O ' ' OG1' ' A' ' 446' ' ' THR . 15.7 pt -45.43 -36.49 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.712 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 36.1 m-85 -64.75 -45.19 87.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 45.1 tp10 -51.74 -37.63 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.025 -178.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 443' ' ' ILE . 69.5 p -61.61 -47.18 86.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.05 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 4.5 mt -57.78 -52.26 66.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 1.4 t -70.88 -35.89 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.17 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -66.63 -48.2 70.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.879 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -71.86 -43.16 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -51.84 -48.98 49.75 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -78.76 -30.07 45.46 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.059 -178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -78.31 -59.59 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.65 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.78 -41.45 97.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.754 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.585 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.3 mt -89.88 -10.75 44.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.719 -178.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 58.5 54.97 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.426 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 4.8 t -94.24 156.4 16.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.66 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -80.86 -50.36 9.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.446 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 553' ' ' HIS . 25.0 ttt180 -142.04 136.52 30.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.596 -178.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.58 131.47 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.455 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.99 141.58 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.774 -176.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 2.3 t -133.58 130.12 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.419 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 18.6 p90 -137.37 159.23 42.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.717 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -101.6 142.23 33.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.437 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -80.59 144.27 32.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.626 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -111.61 -171.07 1.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.483 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -81.26 -15.42 55.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.421 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -102.48 27.12 7.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.557 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . 0.488 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.6 m-85 55.24 20.27 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.358 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . 0.41 ' HA ' ' NH1' ' A' ' 496' ' ' ARG . 65.8 t -107.11 126.77 63.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.608 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.409 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -77.72 173.97 54.91 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -177.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' THR . . . . . 0.412 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 70.5 m -147.26 106.3 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.593 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.19 83.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.688 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.559 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 33.4 m -78.15 -20.81 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -154.82 142.71 20.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.378 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -158.56 154.18 26.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.68 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 40.4 m -138.87 128.74 25.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.533 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.52 142.74 37.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.588 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -59.01 171.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.77 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -73.99 126.26 30.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.482 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 113.03 -11.48 24.69 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . 0.522 ' CH2' ' O ' ' A' ' 555' ' ' ALA . 43.8 m95 -100.87 168.05 9.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 178.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -86.44 127.9 2.91 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.027 2.485 . . . . 0.0 111.911 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -89.49 147.4 24.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.728 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -111.11 -108.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.631 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.54 ' NH2' ' OE1' ' A' ' 441' ' ' GLN . 0.0 OUTLIER 68.63 122.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.723 -178.439 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 10.1 t0 79.07 14.56 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -102.85 145.82 29.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 33.0 m -104.48 130.58 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.641 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 79.4 mt -99.88 117.08 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.715 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -110.57 92.21 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.274 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.649 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 7.1 m-20 -128.82 75.86 79.57 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.731 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . 0.524 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 37.5 Cg_endo -67.13 30.32 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.708 2.272 . . . . 0.0 112.206 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.759 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -92.82 -80.6 0.37 Allowed 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.074 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . 0.759 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 19.7 p90 -75.3 -52.58 10.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.361 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.656 ' N ' ' CG ' ' A' ' 495' ' ' PHE . 21.2 ptt180 -51.07 -13.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.628 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . 0.468 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 65.0 tt0 -90.89 -58.0 2.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.575 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . 0.473 ' C ' ' H ' ' A' ' 500' ' ' VAL . 2.1 m80 -94.19 -41.31 9.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.492 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . 0.462 ' N ' ' O ' ' A' ' 495' ' ' PHE . 9.8 m95 -74.42 14.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.485 -177.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.728 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 3.6 p -65.13 -69.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.517 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.728 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 86.6 tt0 -48.1 -37.94 16.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -58.32 -44.94 88.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.557 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . 0.432 ' O ' ' N ' ' A' ' 506' ' ' GLY . 3.7 m-85 -61.69 -40.43 94.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.569 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.612 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.4 mmt85 -50.24 -35.32 26.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 178.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -76.86 -9.39 58.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.661 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 89.11 35.41 8.16 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -77.44 156.58 31.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.617 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.7 pt -137.48 155.29 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.45 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . 0.646 HE22 ' HG1' ' A' ' 511' ' ' THR . 0.9 OUTLIER -129.97 120.22 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.678 177.514 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . 0.769 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.83 114.25 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.337 -178.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' THR . . . . . 0.646 ' HG1' HE22 ' A' ' 509' ' ' GLN . 0.2 OUTLIER -128.76 109.38 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.708 177.338 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 99.6 m -62.19 -56.86 14.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.51 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.538 ' C ' ' H ' ' A' ' 515' ' ' PHE . 42.9 t0 -110.68 99.85 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.607 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.552 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 35.2 pt -52.12 -9.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.356 -177.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . 0.538 ' H ' ' C ' ' A' ' 513' ' ' ASP . 24.2 m-85 -82.05 5.97 17.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.401 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -116.98 -16.88 10.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.654 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -131.25 115.42 16.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . 0.748 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 105.02 44.86 1.44 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.43 33.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.66 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.748 ' H ' ' C ' ' A' ' 518' ' ' GLY . 28.0 p -75.92 -173.56 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.456 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -112.51 -62.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.357 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . . . . . . . . . 41.9 t -55.48 -34.69 64.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.257 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.553 ' CB ' ' H11' ' A' ' 600' ' ' VRB . 6.9 t60 -63.49 -54.4 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.448 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 11.9 mt -51.2 -46.78 62.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.555 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -71.94 -9.73 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.749 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -91.82 -29.65 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.625 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 11.0 mp -95.27 -30.14 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.641 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.55 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 0.0 OUTLIER -43.31 -57.46 5.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.649 -179.729 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 20.7 Cg_endo -61.39 -26.23 81.11 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.804 2.336 . . . . 0.0 112.067 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 21.3 mt -87.62 -11.44 48.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.536 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 531' ' ' LYS . 3.4 ttmm 54.36 28.47 9.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 10.0 t -75.36 124.83 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.58 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 77.5 mtt-85 -127.57 74.95 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.54 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . 0.552 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 170.85 -171.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.225 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . 0.546 ' ND2' ' NE2' ' A' ' 509' ' ' GLN . 15.9 t-20 -174.57 99.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.09 178.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . 0.442 ' CD1' ' CD1' ' A' ' 561' ' ' TRP . 14.7 tp -132.59 111.61 11.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.16 177.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 27.3 m -121.32 120.09 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.181 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.42 ' O ' ' CG1' ' A' ' 538' ' ' VAL . 14.5 p -117.68 114.73 37.65 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.034 177.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.22 135.15 49.02 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.813 2.342 . . . . 0.0 112.298 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.431 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 72.7 mmm -116.58 108.0 15.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.249 175.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 8.7 t -118.2 127.75 75.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.942 0.401 . . . . 0.0 110.942 -175.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 545' ' ' GLN . 96.7 mt -114.85 139.01 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.936 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 59.6 t0 44.44 32.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.081 0.467 . . . . 0.0 109.799 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 22.0 t0 73.04 26.3 2.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.484 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 542' ' ' ILE . 25.1 mt-30 -129.38 137.78 51.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.593 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . 0.612 ' CB ' HH21 ' A' ' 504' ' ' ARG . 13.3 tp -74.27 94.06 2.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.501 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.587 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -86.05 -39.42 16.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.483 -177.016 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . 0.587 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -154.51 -179.47 29.8 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -176.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.431 HD13 ' H ' ' A' ' 550' ' ' LEU . 43.9 tp -152.29 135.71 15.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.351 -177.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . 0.431 ' H ' HD13 ' A' ' 549' ' ' LEU . 25.6 tp -106.85 118.48 36.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.664 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.466 HG21 ' HE2' ' A' ' 553' ' ' HIS . 6.6 mt -123.44 134.94 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.582 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.1 142.68 41.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.466 ' HE2' HG21 ' A' ' 551' ' ' ILE . 31.2 m80 -137.86 138.31 38.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.677 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.525 ' H ' ' HB3' ' A' ' 534' ' ' ALA . 48.0 mm-40 -90.28 112.82 24.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.734 176.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.522 ' O ' ' CH2' ' A' ' 482' ' ' TRP . . . -81.13 -11.13 59.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.267 -178.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 68.4 p -99.04 -73.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.305 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.71 158.46 49.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -47.68 158.64 0.68 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.879 2.386 . . . . 0.0 112.062 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.58 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 48.8 ttt85 -152.25 148.35 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . 0.719 ' N ' HE21 ' A' ' 560' ' ' GLN . 0.0 OUTLIER -107.75 108.91 20.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.478 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . 0.769 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.3 OUTLIER -84.95 122.66 29.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.717 179.203 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -73.01 159.76 33.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.378 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -57.1 -33.28 67.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.437 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.45 -37.98 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.473 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.95 -32.53 73.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.575 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 17.5 mm -67.14 -46.97 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.596 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -50.6 -47.81 57.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.528 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -60.66 -41.68 95.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.526 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . 0.585 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 5.2 m-85 -57.83 -42.94 85.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.462 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 67.0 m -60.39 -52.08 66.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.304 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . 0.434 ' O ' ' OG ' ' A' ' 574' ' ' SER . 96.1 mt-10 -63.5 -42.9 98.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.354 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.43 -54.21 46.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.491 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.39 96.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' SER . . . . . 0.595 ' O ' ' OG ' ' A' ' 577' ' ' SER . 93.9 p -55.32 -37.48 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.647 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' THR . . . . . 0.538 HG23 ' N ' ' A' ' 576' ' ' GLY . 0.7 OUTLIER -53.43 -40.21 64.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.674 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . 0.538 ' N ' HG23 ' A' ' 575' ' ' THR . . . -62.49 -47.48 89.08 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' SER . . . . . 0.595 ' OG ' ' O ' ' A' ' 574' ' ' SER . 0.1 OUTLIER -51.89 -41.09 61.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.732 0.301 . . . . 0.0 110.691 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 574' ' ' SER . 10.7 mt -54.75 -43.41 72.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.621 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 61.2 t -66.06 -52.63 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.596 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.515 ' CD1' ' CE2' ' A' ' 547' ' ' PHE . 37.0 mt -62.98 -29.94 71.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -58.19 -41.02 83.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.604 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -68.52 -31.99 71.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.53 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 41.7 tp -61.62 -35.9 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.605 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -69.26 -13.5 62.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.662 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -95.72 128.37 42.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.03 -22.16 66.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.527 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -50.6 -31.69 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.597 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -55.37 -31.75 62.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.588 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 70.1 p -62.3 -19.93 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.562 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 13.4 pt -141.11 62.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -67.96 -34.41 76.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.58 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 23.8 m -58.67 -37.05 75.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.569 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 8.2 tp . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.539 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' VRB . . . . . 0.582 ' H15' ' CG2' ' A' ' 520' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 16.4 mmt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . 41.81 27.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -55.42 -71.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 33.2 m -44.63 149.16 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -129.88 158.32 39.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.476 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 53.6 mt -58.79 -34.13 71.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.523 ' C ' ' H ' ' A' ' 437' ' ' LEU . 29.9 t -55.61 -26.54 44.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.608 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -74.16 23.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.563 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' A' ' 435' ' ' SER . 54.0 tp -104.08 148.26 26.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 437' ' ' LEU . 48.9 ttt-85 75.58 15.35 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.614 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -87.38 30.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.487 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 3.9 ptp180 -54.96 -29.21 56.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.646 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . 0.545 ' CD ' HH21 ' A' ' 486' ' ' ARG . 67.9 tp60 -68.38 -29.85 68.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.65 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -67.09 -56.31 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.627 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 13.7 pt -48.66 -39.42 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.746 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' PHE . . . . . 0.422 ' N ' HG13 ' A' ' 443' ' ' ILE . 30.7 m-85 -60.26 -48.91 79.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 97.9 mt-10 -51.61 -37.37 49.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 61.3 m -60.49 -44.69 95.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.013 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.432 ' N ' HD21 ' A' ' 447' ' ' LEU . 3.4 mt -61.99 -53.73 51.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.151 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 1.6 t -69.31 -39.19 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.14 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -66.91 -47.15 72.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.779 -178.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -71.37 -43.36 67.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.872 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . 0.431 ' O ' ' HG ' ' A' ' 455' ' ' LEU . . . -53.14 -46.91 61.8 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' ARG . . . . . 0.41 ' NH1' ' CB ' ' A' ' 452' ' ' ARG . 4.6 ptm85 -78.94 -26.39 43.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.734 0.302 . . . . 0.0 111.074 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -74.5 -57.06 4.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.696 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.35 -44.48 71.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.718 -177.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.593 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.6 mt -81.68 -16.69 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.745 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 60.28 54.4 3.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.382 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 19.3 t -92.21 161.12 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.662 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -86.35 -50.95 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.447 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 553' ' ' HIS . 42.8 ttt180 -142.34 139.46 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 -178.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.23 135.83 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.496 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 16.0 mt -114.88 137.8 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.918 0.389 . . . . 0.0 110.785 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 2.9 t -133.15 122.82 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.427 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 26.6 p90 -140.63 141.39 35.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.711 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -82.34 148.59 28.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.395 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.3 m-85 -82.06 149.35 28.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.666 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 42.4 t0 -110.68 -173.99 2.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.534 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . 0.543 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 85.5 m-20 -80.17 -14.89 58.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.482 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -104.35 29.33 6.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.449 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' TYR . . . . . 0.562 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 40.7 m-85 55.79 18.26 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.445 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 54.3 t -108.96 129.92 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.603 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -82.87 174.32 52.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 -177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 90.0 m -148.05 109.26 4.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 0.0 110.575 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 48.6 t -68.01 95.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.697 -177.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 8.8 p -91.86 -21.92 6.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.421 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.68 138.4 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.434 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -155.63 151.29 27.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.668 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 18.7 m -136.21 124.65 23.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.11 143.46 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 -178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -60.4 171.24 1.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.757 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -73.2 127.85 33.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.467 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.8 -9.63 25.57 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -105.03 167.96 9.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.923 0.392 . . . . 0.0 110.822 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -84.8 129.85 4.15 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.033 2.489 . . . . 0.0 111.912 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -97.69 147.53 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.78 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -114.47 -96.17 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.607 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.545 HH21 ' CD ' ' A' ' 441' ' ' GLN . 0.0 OUTLIER 67.08 31.91 6.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.697 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 487' ' ' ASP . 1.0 OUTLIER 168.0 22.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.521 179.107 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -104.31 144.52 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.551 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 6.0 p -105.41 134.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.62 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 80.3 mt -107.95 130.67 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.669 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . 0.424 ' HA ' HH12 ' A' ' 496' ' ' ARG . 94.1 mt-10 -124.55 94.87 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.333 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.721 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 9.5 m-20 -131.52 81.77 63.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.681 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' PRO . . . . . 0.589 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 59.4 Cg_endo -73.96 36.65 0.41 Allowed 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.746 2.297 . . . . 0.0 112.162 -177.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.663 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -96.86 -76.76 0.5 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.258 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' PHE . . . . . 0.663 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 35.2 p90 -76.44 -53.78 7.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.918 0.389 . . . . 0.0 110.31 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.721 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 26.4 ptt180 -50.44 -13.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.633 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' GLU . . . . . 0.545 ' OE1' ' CD2' ' A' ' 498' ' ' HIS . 5.6 tm-20 -91.57 -57.87 2.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.514 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' HIS . . . . . 0.545 ' CD2' ' OE1' ' A' ' 497' ' ' GLU . 2.1 m80 -95.23 -43.73 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.442 -177.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' TRP . . . . . 0.402 ' N ' ' O ' ' A' ' 495' ' ' PHE . 10.9 m95 -70.56 5.18 1.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.539 -177.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.733 ' CG1' ' H ' ' A' ' 501' ' ' GLU . 5.2 p -56.73 -67.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.733 ' H ' ' CG1' ' A' ' 500' ' ' VAL . 86.2 tt0 -47.48 -41.16 20.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.579 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.18 88.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.484 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . 0.463 ' O ' ' N ' ' A' ' 506' ' ' GLY . 3.7 m-85 -61.97 -41.16 97.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.614 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.5 mmt85 -49.96 -33.96 19.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -78.32 -9.96 59.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.725 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 90.15 35.53 7.54 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 178.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -79.24 157.85 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.574 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.7 pt -139.64 158.78 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.477 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' GLN . . . . . 0.593 ' O ' ' NE2' ' A' ' 509' ' ' GLN . 0.6 OUTLIER -132.24 123.36 26.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.665 177.359 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' ALA . . . . . 0.746 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.98 112.85 21.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.354 -177.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' THR . . . . . 0.56 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.2 OUTLIER -129.46 108.43 10.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.688 177.528 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 85.5 m -61.75 -61.93 2.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.473 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 515' ' ' PHE . 39.6 t0 -103.71 98.99 8.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.635 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.62 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 44.5 pt -54.4 -10.19 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.365 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' PHE . . . . . 0.482 ' H ' ' C ' ' A' ' 513' ' ' ASP . 16.2 m-85 -74.37 -13.57 60.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.448 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -100.38 -10.89 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.516 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -132.44 116.1 16.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.665 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . 0.755 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 102.65 44.48 1.8 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.31 32.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 110.667 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.755 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.2 OUTLIER -77.51 -175.58 3.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.612 ' H ' HG22 ' A' ' 520' ' ' THR . 18.6 pt-20 -108.69 -48.41 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.277 -178.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' CYS . . . . . 0.634 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 9.9 p -70.88 -44.75 65.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.243 -177.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.634 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 50.1 t60 -57.65 -54.35 47.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.419 -178.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' ' 520' ' ' THR . 23.7 mt -54.65 -46.54 73.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 81.1 m-20 -73.04 -10.4 59.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.743 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . 0.426 HE21 ' HB3' ' A' ' 526' ' ' GLN . 3.9 tt0 -90.09 -29.83 18.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.589 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 10.0 mp -98.35 -8.3 27.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . 0.585 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 3.6 ttp85 -65.2 -45.5 71.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.6 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 11.2 Cg_exo -70.53 -28.51 21.47 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.806 2.337 . . . . 0.0 112.091 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 36.3 mt -84.36 -13.92 50.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.506 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.6 tptm 67.1 21.81 10.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.521 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 19.1 t -70.06 114.89 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.594 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -125.14 74.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . 0.62 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 173.11 -170.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.192 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . 0.473 ' CG ' HE22 ' A' ' 509' ' ' GLN . 16.2 t-20 -173.59 98.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.991 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 20.0 tp -136.99 113.58 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.069 177.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.85 124.74 73.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.212 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.409 ' O ' ' CD1' ' A' ' 549' ' ' LEU . 97.3 t -119.73 113.12 34.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.025 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.75 133.91 35.76 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.798 2.332 . . . . 0.0 112.371 -174.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 71.7 mmm -116.82 112.43 21.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.207 175.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.4 t -120.6 124.55 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.959 -176.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.6 mt -113.57 139.96 36.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.89 177.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 44.16 34.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.019 0.437 . . . . 0.0 109.853 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 0.5 OUTLIER 70.8 26.36 3.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.44 179.138 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 542' ' ' ILE . 23.3 mt-30 -129.51 138.39 51.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' LEU . . . . . 0.614 ' CB ' HH21 ' A' ' 504' ' ' ARG . 11.1 tp -74.47 94.03 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.529 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -86.64 -37.42 18.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.566 -177.558 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . 0.557 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -156.49 -177.62 29.82 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -176.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.429 HD11 ' N ' ' A' ' 550' ' ' LEU . 12.0 tp -154.42 137.79 15.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.308 . . . . 0.0 110.304 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . 0.429 ' N ' HD11 ' A' ' 549' ' ' LEU . 27.0 tp -105.73 117.77 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.694 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.658 ' CG2' ' HE2' ' A' ' 553' ' ' HIS . 2.1 mt -123.05 134.07 67.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . 0.449 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -119.71 147.21 44.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.58 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.658 ' HE2' ' CG2' ' A' ' 551' ' ' ILE . 1.0 OUTLIER -149.81 149.59 30.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.682 178.55 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.677 ' NE2' HH11 ' A' ' 559' ' ' ARG . 20.8 mp0 -89.96 115.94 27.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.754 177.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -76.1 -13.3 60.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.336 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 16.9 t -95.21 -71.88 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.307 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -143.32 154.73 61.04 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.458 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -43.69 164.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.949 2.433 . . . . 0.0 112.002 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.677 HH11 ' NE2' ' A' ' 554' ' ' GLN . 19.0 ttt-85 -160.67 152.94 20.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.725 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . 0.406 ' N ' ' CG ' ' A' ' 559' ' ' ARG . 51.5 tp60 -109.25 109.68 20.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.412 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' TRP . . . . . 0.746 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.1 OUTLIER -82.1 118.76 23.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.734 178.595 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -70.35 159.04 34.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.345 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -56.93 -35.56 69.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.64 -40.29 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.443 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -61.59 -32.73 72.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.55 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 25.8 mm -65.91 -47.44 85.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 177.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -51.46 -48.62 62.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -61.52 -40.78 95.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' PHE . . . . . 0.593 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 5.4 m-85 -57.33 -43.05 83.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.389 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' SER . . . . . 0.486 ' O ' ' OG ' ' A' ' 574' ' ' SER . 15.4 t -59.6 -50.63 73.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.377 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' A' ' 575' ' ' THR . 95.2 mt-10 -63.01 -42.95 99.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.335 -178.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.44 -54.8 38.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.481 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -66.3 -43.3 86.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.501 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' A' ' 570' ' ' SER . 75.3 m -56.46 -34.76 67.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.642 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 571' ' ' GLU . 41.4 m -55.58 -49.54 72.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.722 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -53.68 -44.23 69.1 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.5 -40.58 59.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.676 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.81 -44.28 94.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.662 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 40.0 t -73.61 -45.47 50.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.638 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 6.2 tp -57.26 -41.57 79.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.639 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -63.94 -39.13 93.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.634 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -59.41 -47.69 84.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.616 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 45.8 mt -72.85 -39.78 66.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.66 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -61.19 -40.76 95.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.759 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -97.04 130.83 44.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.671 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 6.2 tp -168.48 81.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.471 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -58.8 -31.45 68.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.559 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . 0.43 ' CD ' ' N ' ' A' ' 588' ' ' GLN . 26.5 mp0 -74.33 131.84 41.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 44.0 p -111.79 16.18 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.573 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 13.6 pt -140.91 63.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.572 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -65.26 -27.83 68.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 87.8 p -63.88 -34.05 77.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 15.6 tp . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.574 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' VRB . . . . . 0.594 ' H24' ' OD2' ' A' ' 492' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 440' ' ' ARG . . . . . 0.456 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 1.4 ptp180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.733 0.301 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 35.0 tp60 -69.46 -30.76 68.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.703 -177.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.0 -55.88 9.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.609 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' ILE . . . . . 0.487 HG21 HG11 ' A' ' 579' ' ' VAL . 17.9 pt -48.1 -37.65 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.725 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 444' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 29.4 m-85 -60.9 -45.75 93.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.997 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 445' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 82.8 tt0 -52.83 -36.61 58.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.045 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 97.5 m -60.31 -49.29 78.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.033 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.554 ' N ' HD23 ' A' ' 447' ' ' LEU . 2.3 mt -58.93 -51.57 69.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.645 HG22 HG21 ' A' ' 462' ' ' VAL . 2.5 t -70.93 -35.53 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.14 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -64.03 -45.86 87.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -71.6 -44.6 64.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.789 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -50.59 -48.92 41.64 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 452' ' ' ARG . . . . . 0.554 ' NH1' ' OG ' ' A' ' 477' ' ' SER . 22.2 ptt180 -77.67 -30.83 52.2 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.093 -178.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -78.13 -57.91 3.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.768 0.318 . . . . 0.0 110.775 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.36 -42.0 98.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.679 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.605 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.8 mt -89.82 -12.81 38.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.805 -178.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 58.32 54.78 5.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.4 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 75.2 m -94.1 158.37 15.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.627 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -80.84 -52.47 7.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.501 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.482 ' O ' ' O ' ' A' ' 553' ' ' HIS . 26.1 ttt180 -137.08 138.76 40.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.538 -178.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 15.2 m -145.49 130.98 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.436 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 16.4 tt -117.71 138.23 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.718 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.645 HG21 HG22 ' A' ' 448' ' ' VAL . 2.6 t -134.91 128.24 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.4 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.54 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 20.6 p90 -138.95 142.85 38.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.713 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -84.48 146.79 27.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.498 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 465' ' ' PHE . . . . . 0.466 ' CE2' HD21 ' A' ' 546' ' ' LEU . 1.8 m-85 -82.08 147.4 29.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.641 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -111.85 -170.74 1.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.502 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 467' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 53.2 p30 -81.44 -15.64 54.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.425 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 468' ' ' ASN . . . . . 0.687 ' O ' HG23 ' A' ' 470' ' ' VAL . 84.9 m-20 -102.77 28.39 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 469' ' ' TYR . . . . . 0.503 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 8.3 m-85 54.94 19.85 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.335 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 470' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 468' ' ' ASN . 59.2 t -108.49 128.23 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.627 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -79.56 176.11 54.8 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 472' ' ' THR . . . . . 0.411 ' N ' ' HB2' ' A' ' 463' ' ' TYR . 53.8 m -148.2 109.05 4.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.598 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 19.0 t -68.35 86.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.645 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.55 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 33.8 m -82.62 -22.63 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.361 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.25 134.35 17.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.381 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 476' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 485' ' ' ALA . 55.4 tt0 -146.04 146.3 30.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.652 178.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 477' ' ' SER . . . . . 0.554 ' OG ' ' NH1' ' A' ' 452' ' ' ARG . 8.5 t -134.66 119.44 18.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.589 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 478' ' ' VAL . . . . . 0.439 HG12 ' HG3' ' A' ' 459' ' ' ARG . 2.2 m -135.71 143.44 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.507 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.722 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -59.33 171.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.698 177.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -74.35 127.47 33.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.46 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.41 -13.04 25.77 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 482' ' ' TRP . . . . . 0.722 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 50.6 m95 -96.74 166.24 14.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 110.827 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -85.36 127.42 3.33 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.029 2.486 . . . . 0.0 111.902 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -94.69 148.12 22.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.657 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 485' ' ' ALA . . . . . 0.448 ' N ' ' OE1' ' A' ' 476' ' ' GLU . . . -114.63 -97.57 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.558 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 487' ' ' ASP . 0.0 OUTLIER 61.1 123.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.648 -178.333 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 487' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 10.5 t0 80.11 16.68 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.589 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -105.39 147.24 28.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 489' ' ' VAL . 33.9 m -102.66 128.44 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 490' ' ' ILE . . . . . 0.417 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 8.9 mm -92.97 110.43 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.706 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 491' ' ' GLU . . . . . 0.408 ' HA ' HH12 ' A' ' 496' ' ' ARG . 95.8 mt-10 -107.95 93.43 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.29 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 492' ' ' ASP . . . . . 0.736 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 0.2 OUTLIER -135.65 77.31 52.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 179.124 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 493' ' ' PRO . . . . . 0.563 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 53.6 Cg_endo -71.84 39.31 0.38 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.685 2.257 . . . . 0.0 112.197 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 494' ' ' CYS . . . . . 0.756 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -98.9 -74.93 0.57 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.635 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 495' ' ' PHE . . . . . 0.756 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 35.0 p90 -77.49 -52.73 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.389 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 496' ' ' ARG . . . . . 0.736 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 23.6 ptt180 -51.2 -13.16 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.598 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 497' ' ' GLU . . . . . 0.482 ' OE1' ' CD2' ' A' ' 498' ' ' HIS . 5.6 tm-20 -90.54 -58.24 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.538 -177.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 498' ' ' HIS . . . . . 0.482 ' CD2' ' OE1' ' A' ' 497' ' ' GLU . 4.9 m80 -96.56 -46.73 6.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.455 -177.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 499' ' ' TRP . . . . . 0.516 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 7.4 m95 -63.93 -7.96 9.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -177.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 1.011 HG13 ' H ' ' A' ' 501' ' ' GLU . 5.9 p -46.58 -67.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.485 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 1.011 ' H ' HG13 ' A' ' 500' ' ' VAL . 22.3 pt-20 -47.53 -38.7 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.584 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 502' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -61.55 -43.6 98.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 503' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.5 m-85 -61.81 -41.11 97.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.667 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.578 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.4 mmt85 -50.1 -34.97 23.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.739 177.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -77.5 -10.15 59.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.701 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 506' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 91.08 35.65 7.01 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -78.52 154.56 30.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.773 0.32 . . . . 0.0 110.649 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.627 ' CD1' HD13 ' A' ' 566' ' ' ILE . 4.4 pt -137.4 156.94 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.461 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 509' ' ' GLN . . . . . 0.559 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 0.8 OUTLIER -130.36 119.41 22.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.638 177.802 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.822 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -115.81 113.8 23.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.378 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 511' ' ' THR . . . . . 0.723 HG21 ' HB3' ' A' ' 517' ' ' ALA . 0.3 OUTLIER -129.06 111.82 13.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.637 177.103 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 98.8 m -64.21 -57.32 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' A' ' 515' ' ' PHE . 40.0 t0 -107.98 98.98 8.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.562 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.602 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 44.9 pt -53.61 -10.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.415 -177.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 515' ' ' PHE . . . . . 0.446 ' H ' ' C ' ' A' ' 513' ' ' ASP . 17.6 m-85 -74.98 -10.8 59.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.469 -177.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -102.09 -15.83 16.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 517' ' ' ALA . . . . . 0.723 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -130.25 116.81 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.575 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 518' ' ' GLY . . . . . 0.695 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 108.06 44.17 1.22 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.01 30.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.704 0.287 . . . . 0.0 110.618 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.695 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.1 OUTLIER -77.37 -175.21 3.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.52 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.431 ' N ' ' OG1' ' A' ' 520' ' ' THR . 88.5 tt0 -103.86 -72.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.355 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 522' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 17.6 p -54.36 -37.18 64.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.179 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.456 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 53.1 t60 -56.61 -56.62 19.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.459 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.482 HD21 ' O ' ' A' ' 518' ' ' GLY . 24.0 mt -55.92 -44.99 78.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.481 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -71.07 -17.37 62.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.756 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -83.55 -31.45 26.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.646 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 527' ' ' LEU . 10.8 mp -93.25 -32.94 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.664 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.568 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 11.8 mtt85 -43.73 -58.95 3.93 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 11.9 Cg_endo -56.22 -26.31 60.38 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.804 2.336 . . . . 0.0 112.025 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 34.5 mt -90.24 -9.65 47.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.516 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 531' ' ' LYS . 1.1 ttmt 57.21 26.77 12.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.94 120.2 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.643 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 533' ' ' ARG . . . . . 0.526 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 74.9 mtt-85 -125.38 74.44 1.39 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.942 0.401 . . . . 0.0 110.622 178.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.602 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.44 -171.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.297 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 535' ' ' ASN . . . . . 0.459 ' OD1' ' NE2' ' A' ' 509' ' ' GLN . 0.4 OUTLIER -174.32 100.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.077 179.219 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 536' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 561' ' ' TRP . 58.2 tp -133.68 113.27 12.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.17 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 537' ' ' VAL . 30.9 m -116.52 120.07 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.258 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.65 ' O ' HD12 ' A' ' 549' ' ' LEU . 2.2 t -115.87 111.48 43.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.955 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.76 131.86 30.72 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.792 2.328 . . . . 0.0 112.334 -175.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.652 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 78.0 mmm -116.72 111.93 20.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.154 176.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.01 120.55 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 0.0 110.979 -175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 542' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.0 mt -109.83 139.76 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.873 177.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 57.0 t0 44.22 33.47 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.076 0.465 . . . . 0.0 109.878 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 20.9 t0 71.6 25.73 3.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.443 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 545' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 542' ' ' ILE . 89.6 mt-30 -128.85 135.91 49.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.579 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 546' ' ' LEU . . . . . 0.578 ' CB ' HH21 ' A' ' 504' ' ' ARG . 14.0 tp -71.29 93.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.628 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -84.47 -36.84 22.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.538 -176.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 548' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 540' ' ' MET . . . -159.45 -178.27 33.29 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -176.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 538' ' ' VAL . 18.3 tp -152.86 134.55 14.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.672 0.272 . . . . 0.0 110.391 -178.163 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 549' ' ' LEU . 24.8 tp -100.95 116.52 33.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.621 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.604 HG22 ' NE2' ' A' ' 553' ' ' HIS . 5.1 mt -120.48 130.68 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.531 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -112.46 143.75 43.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.604 ' NE2' HG22 ' A' ' 551' ' ' ILE . 33.4 m80 -140.37 136.68 33.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.701 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.624 ' NE2' ' NH1' ' A' ' 559' ' ' ARG . 23.1 mp0 -93.65 102.15 14.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.79 85.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.34 -177.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 556' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 557' ' ' GLU . 89.6 p -63.79 -73.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.275 -177.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.438 ' N ' ' OG ' ' A' ' 556' ' ' SER . 0.3 OUTLIER -149.65 161.92 30.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.476 -178.776 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -46.34 157.04 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.914 2.409 . . . . 0.0 112.002 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.649 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 22.7 ttt-85 -154.66 153.26 31.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.636 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -113.06 111.48 22.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.479 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.822 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.0 OUTLIER -81.55 116.04 21.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.75 178.184 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -67.32 161.21 25.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.353 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.28 -35.17 69.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.384 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.25 -37.8 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.471 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.11 -33.85 76.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.495 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.627 HD13 ' CD1' ' A' ' 508' ' ' ILE . 90.6 mt -67.88 -44.77 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.587 177.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -52.55 -48.36 66.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.514 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -60.24 -41.57 93.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.605 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 6.2 m-85 -57.43 -42.55 82.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.361 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 570' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 574' ' ' SER . 20.0 t -59.75 -50.71 72.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.358 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 575' ' ' THR . 96.0 mt-10 -65.87 -42.64 90.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.304 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 572' ' ' LEU . . . . . 0.594 ' O ' ' OG1' ' A' ' 575' ' ' THR . 7.9 tp -61.89 -51.3 68.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.542 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.652 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -68.95 -41.3 78.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.537 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 574' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 570' ' ' SER . 19.8 t -55.87 -43.13 76.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.621 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 575' ' ' THR . . . . . 0.594 ' OG1' ' O ' ' A' ' 572' ' ' LEU . 7.9 p -54.61 -39.62 68.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.671 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -58.89 -47.15 92.04 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.67 -41.42 55.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.318 . . . . 0.0 110.745 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.9 mt -57.76 -40.35 79.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.487 HG11 HG21 ' A' ' 443' ' ' ILE . 42.1 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 440' ' ' ARG . . . . . 0.532 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 3.1 ptp180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.861 0.362 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' GLN . . . . . 0.541 ' NE2' ' O ' ' A' ' 441' ' ' GLN . 3.7 tm0? -69.1 -31.63 70.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.693 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 442' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 445' ' ' GLU . . . -70.04 -57.21 5.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -177.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 443' ' ' ILE . . . . . 0.517 ' O ' ' OG1' ' A' ' 446' ' ' THR . 14.1 pt -43.42 -37.03 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.712 -178.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 444' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 42.3 m-85 -67.62 -39.19 84.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 178.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 445' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 442' ' ' ALA . 43.0 tp10 -54.53 -41.63 69.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.161 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 446' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 443' ' ' ILE . 17.2 p -58.51 -53.8 54.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.04 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.597 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.0 OUTLIER -55.41 -51.06 68.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.162 179.27 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 58.0 t -71.16 -35.66 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.11 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 445' ' ' GLU . . . -64.11 -48.0 77.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.763 0.316 . . . . 0.0 110.826 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -72.54 -37.97 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -55.31 -50.96 57.45 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' ARG . . . . . 0.494 ' NH1' ' OG ' ' A' ' 477' ' ' SER . 9.2 ptm180 -77.72 -30.41 51.72 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.059 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.65 -56.77 4.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.701 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.9 mt -66.14 -42.3 89.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.709 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.575 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.1 mt -88.88 -14.08 37.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.734 -177.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 456' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 60.57 55.71 3.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.382 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 12.8 t -94.42 157.52 15.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.661 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -83.07 -53.93 5.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.48 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.482 ' O ' ' O ' ' A' ' 553' ' ' HIS . 7.4 ttt180 -140.24 140.02 35.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.557 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 28.5 m -146.44 132.87 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.493 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 35.5 mt -113.3 137.43 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.559 HG22 ' CD1' ' A' ' 550' ' ' LEU . 2.3 t -134.82 128.44 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.449 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.51 ' CD2' HD12 ' A' ' 490' ' ' ILE . 25.6 p90 -142.41 142.44 32.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.691 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -82.61 145.98 29.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.455 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -82.04 146.6 29.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.642 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -111.48 -171.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.546 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -80.7 -15.74 55.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.457 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 468' ' ' ASN . . . . . 0.69 ' O ' HG23 ' A' ' 470' ' ' VAL . 88.5 m-20 -102.05 27.33 6.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.52 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 469' ' ' TYR . . . . . 0.483 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.1 m-85 55.09 19.06 2.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.386 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 470' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 468' ' ' ASN . 58.1 t -108.5 127.27 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.551 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.434 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -77.68 174.08 54.86 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -177.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 84.8 m -146.74 106.07 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.782 0.325 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.96 96.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.649 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 11.4 p -96.27 -18.89 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.387 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -149.62 130.26 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.408 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 476' ' ' GLU . . . . . 0.416 ' H ' ' HD3' ' A' ' 486' ' ' ARG . 48.9 tt0 -147.81 145.26 28.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.648 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 477' ' ' SER . . . . . 0.494 ' OG ' ' NH1' ' A' ' 452' ' ' ARG . 45.5 t -134.5 121.34 20.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.615 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 478' ' ' VAL . . . . . 0.409 HG12 ' HG3' ' A' ' 459' ' ' ARG . 1.6 m -134.08 140.01 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.582 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.701 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -57.31 171.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.709 178.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -74.03 126.63 30.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.404 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.68 -9.73 25.81 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 482' ' ' TRP . . . . . 0.701 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 41.7 m95 -101.96 167.06 11.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.812 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -86.85 130.13 3.06 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.965 2.443 . . . . 0.0 111.966 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -95.73 149.5 21.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.693 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 485' ' ' ALA . . . . . 0.409 ' N ' ' OE1' ' A' ' 476' ' ' GLU . . . -113.44 -95.59 0.45 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.426 HH11 ' HG3' ' A' ' 486' ' ' ARG . 32.8 mmm-85 62.17 123.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.75 -178.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 487' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 487' ' ' ASP . 0.4 OUTLIER 75.0 18.83 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.199 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -105.02 148.01 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.565 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 489' ' ' VAL . 18.8 m -108.41 132.21 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 490' ' ' ILE . . . . . 0.51 HD12 ' CD2' ' A' ' 463' ' ' TYR . 50.9 mt -102.13 122.08 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.663 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 491' ' ' GLU . . . . . 0.417 ' O ' ' OD1' ' A' ' 492' ' ' ASP . 95.0 mt-10 -112.64 96.97 6.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.303 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 492' ' ' ASP . . . . . 0.745 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 5.3 m-20 -135.84 78.1 49.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.687 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 493' ' ' PRO . . . . . 0.472 ' O ' ' OE1' ' A' ' 497' ' ' GLU . 52.4 Cg_endo -70.41 36.26 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.753 2.302 . . . . 0.0 112.151 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 494' ' ' CYS . . . . . 0.736 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -95.91 -79.9 0.43 Allowed 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.302 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 495' ' ' PHE . . . . . 0.736 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 34.6 p90 -75.24 -52.39 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 118.141 0.428 . . . . 0.0 110.307 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 496' ' ' ARG . . . . . 0.745 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 23.7 ptt180 -51.82 -13.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.665 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 497' ' ' GLU . . . . . 0.519 ' OE1' ' NE2' ' A' ' 498' ' ' HIS . 68.3 tt0 -89.41 -58.47 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.478 -177.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 498' ' ' HIS . . . . . 0.519 ' NE2' ' OE1' ' A' ' 497' ' ' GLU . 2.2 m80 -96.95 -46.96 6.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.384 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 499' ' ' TRP . . . . . 0.482 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 7.5 m95 -64.39 -4.84 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 -177.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 1.023 HG13 ' H ' ' A' ' 501' ' ' GLU . 6.4 p -49.12 -67.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.484 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 1.023 ' H ' HG13 ' A' ' 500' ' ' VAL . 24.4 mt-10 -47.46 -39.99 17.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.52 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 502' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -59.16 -43.56 92.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.495 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 503' ' ' TYR . . . . . 0.465 ' OH ' HG21 ' A' ' 537' ' ' VAL . 4.6 m-85 -62.35 -40.25 95.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.626 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.498 ' HE ' ' HB2' ' A' ' 546' ' ' LEU . 24.0 mmt85 -51.93 -31.95 30.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.77 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -79.7 -9.69 59.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.682 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 90.68 35.93 7.08 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -79.55 154.83 28.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.641 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.8 pt -136.78 156.33 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.457 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 509' ' ' GLN . . . . . 0.585 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 1.1 tm0? -133.64 119.72 19.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.696 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.763 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -114.78 114.35 25.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.357 -178.012 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 511' ' ' THR . . . . . 0.585 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.2 OUTLIER -129.63 108.67 10.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.649 177.468 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 54.5 m -62.78 -61.97 2.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.503 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.6 t0 -102.93 97.73 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.581 -178.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.592 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 46.6 pt -53.58 -10.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.378 -177.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 515' ' ' PHE . . . . . 0.444 ' H ' ' C ' ' A' ' 513' ' ' ASP . 16.6 m-85 -75.0 -10.56 59.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.434 -178.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 516' ' ' LYS . . . . . 0.546 ' HE2' HG22 ' A' ' 511' ' ' THR . 22.5 pttt -101.5 -12.04 18.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.593 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 517' ' ' ALA . . . . . 0.485 ' CB ' HG21 ' A' ' 511' ' ' THR . . . -131.91 116.27 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 518' ' ' GLY . . . . . 0.708 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 102.99 44.25 1.79 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.35 33.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 110.649 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.708 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.2 OUTLIER -77.65 -174.12 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.598 ' H ' HG22 ' A' ' 520' ' ' THR . 5.1 pt-20 -105.5 -52.17 2.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.359 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 522' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 7.9 p -70.65 -41.37 72.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.2 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.591 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 51.2 t60 -55.93 -56.79 16.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.447 -178.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.488 HD21 ' O ' ' A' ' 518' ' ' GLY . 18.8 mt -54.23 -45.59 72.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.504 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -73.02 -10.23 59.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -90.63 -32.27 16.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.574 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 527' ' ' LEU . 9.9 mp -93.98 -17.56 22.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.561 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 16.7 mtt85 -59.36 -59.46 13.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.661 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 11.7 Cg_endo -55.81 -29.31 71.46 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.827 2.351 . . . . 0.0 112.092 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 35.2 mt -85.74 -14.11 46.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.549 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.3 tptm 66.12 22.58 11.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.506 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 14.2 t -69.84 116.32 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.631 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 533' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 65.5 mtt-85 -124.01 73.57 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.511 178.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.592 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 170.82 -170.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.223 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -174.44 98.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 111.075 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 536' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 561' ' ' TRP . 49.6 tp -133.6 112.34 11.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.209 177.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 537' ' ' VAL . 31.8 m -115.3 120.51 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.21 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.621 ' O ' HD12 ' A' ' 549' ' ' LEU . 32.9 t -117.01 111.5 40.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.023 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.71 132.68 33.65 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.844 2.363 . . . . 0.0 112.351 -174.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.455 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 39.2 mmm -115.37 113.64 24.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.211 175.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 13.1 t -121.09 123.58 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 542' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.7 mt -109.25 138.37 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.913 177.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 53.5 t0 43.1 31.96 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 109.846 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 75.93 25.62 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.431 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 545' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 542' ' ' ILE . 95.2 mt-30 -129.72 134.51 47.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 546' ' ' LEU . . . . . 0.498 ' HB2' ' HE ' ' A' ' 504' ' ' ARG . 11.8 tp -72.11 95.04 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.612 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -90.13 -33.09 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -177.277 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 548' ' ' GLY . . . . . 0.612 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -156.22 -178.77 30.7 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 538' ' ' VAL . 14.5 tp -155.07 136.93 14.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.666 0.27 . . . . 0.0 110.422 -178.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.588 ' H ' HD12 ' A' ' 549' ' ' LEU . 28.4 tp -105.27 119.74 39.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.658 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.563 HG22 ' NE2' ' A' ' 553' ' ' HIS . 3.5 mt -124.63 130.41 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -106.93 145.26 32.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.563 ' NE2' HG22 ' A' ' 551' ' ' ILE . 30.0 m80 -142.51 139.27 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.646 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -89.15 118.03 28.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.768 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -83.87 -9.34 58.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.256 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 10.4 p -100.58 -72.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.294 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -145.34 159.1 49.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -46.67 159.65 0.29 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.913 2.409 . . . . 0.0 112.035 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.588 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 41.0 ttt85 -154.17 150.71 28.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.644 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -108.97 107.51 17.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.438 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.763 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.4 OUTLIER -83.72 120.8 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.74 179.368 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -70.96 158.27 36.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.3 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -57.52 -32.51 67.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.481 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 19.9 mm -67.23 -38.09 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.477 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.15 -31.75 72.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.478 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 23.4 mt -73.7 -42.12 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.603 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -52.5 -48.17 66.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -60.27 -41.05 92.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.575 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.1 m-85 -57.27 -41.13 79.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.411 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 570' ' ' SER . . . . . 0.472 ' O ' ' OG ' ' A' ' 574' ' ' SER . 11.3 t -59.16 -52.05 67.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.398 -178.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.69 -43.08 97.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.299 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 17.7 tp -62.0 -55.01 33.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.529 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.0 93.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.538 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 574' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 570' ' ' SER . 68.3 m -57.22 -32.99 67.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.0 m -53.13 -48.44 67.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.748 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.07 -44.67 88.31 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.58 -39.26 49.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.752 0.31 . . . . 0.0 110.692 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.33 -42.08 86.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.667 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.118 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 440' ' ' ARG . . . . . 0.515 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.778 0.323 . . . . 0.0 110.616 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 441' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 440' ' ' ARG . 1.4 tm0? -68.79 -30.99 69.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.625 -177.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.68 -58.09 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.592 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' ILE . . . . . 0.472 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 9.0 pt -44.27 -39.28 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.753 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 444' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 36.0 m-85 -62.65 -44.45 96.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 445' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 46.3 tp10 -52.67 -38.37 60.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.109 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 89.1 m -60.51 -46.8 88.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 447' ' ' LEU . 2.8 mt -60.33 -52.26 66.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.211 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.622 HG22 HG21 ' A' ' 462' ' ' VAL . 2.5 t -70.54 -37.1 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.151 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -64.59 -46.18 83.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.817 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -72.07 -43.24 65.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.814 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -52.95 -49.4 55.24 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 43.9 ptt85 -78.16 -30.52 49.24 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.029 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -77.08 -57.54 3.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.327 . . . . 0.0 110.7 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.49 -43.54 85.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.701 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.3 mt -85.6 -13.72 47.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.71 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.62 55.06 4.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.385 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 11.6 t -94.65 153.7 17.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.705 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -78.16 -54.42 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.449 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.527 ' HE ' ' CG1' ' A' ' 478' ' ' VAL . 12.6 ttm180 -134.81 139.88 45.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.576 -178.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 11.5 m -146.47 130.06 9.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.488 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 28.9 mt -115.84 138.27 46.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.836 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.622 HG21 HG22 ' A' ' 448' ' ' VAL . 2.4 t -135.56 125.41 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.499 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 22.0 p90 -138.43 140.27 39.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.659 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -81.28 147.11 30.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.444 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 465' ' ' PHE . . . . . 0.532 ' CE2' HD21 ' A' ' 546' ' ' LEU . 1.9 m-85 -82.71 145.83 29.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.595 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 466' ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 41.5 t0 -110.43 -172.56 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.467 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 467' ' ' ASP . . . . . 0.516 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 86.8 m-20 -80.39 -16.13 55.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.455 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 468' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 470' ' ' VAL . 93.1 m-20 -101.93 30.68 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.448 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 469' ' ' TYR . . . . . 0.467 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 7.6 m-85 53.25 17.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.38 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 470' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 468' ' ' ASN . 43.8 t -108.79 129.04 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.619 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -81.5 176.14 54.31 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 88.1 m -149.96 108.7 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 473' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 488' ' ' GLN . 24.9 t -67.95 92.98 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.72 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.527 ' O ' ' NE ' ' A' ' 486' ' ' ARG . 13.6 p -89.28 -19.87 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.394 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.91 134.86 15.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.39 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -152.45 150.71 29.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.677 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 49.5 m -140.77 129.85 23.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.591 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 478' ' ' VAL . . . . . 0.527 ' CG1' ' HE ' ' A' ' 459' ' ' ARG . 2.1 t -136.35 144.58 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.573 -178.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.748 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -53.95 170.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -77.67 131.28 37.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.412 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 111.38 -16.23 27.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 482' ' ' TRP . . . . . 0.748 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 50.1 m95 -97.07 169.2 9.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.477 ' O ' ' NH2' ' A' ' 459' ' ' ARG . 8.5 Cg_endo -87.12 126.5 2.39 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.026 2.484 . . . . 0.0 111.907 178.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -89.92 147.99 23.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.711 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 485' ' ' ALA . . . . . 0.537 ' HB1' ' CD ' ' A' ' 488' ' ' GLN . . . -111.23 -96.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.614 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.527 ' NE ' ' O ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER 61.13 129.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.644 -178.337 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 487' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 12.1 t0 76.98 19.37 1.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.564 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.537 ' CD ' ' HB1' ' A' ' 485' ' ' ALA . 83.5 mt-30 -102.91 146.1 28.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.484 178.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.405 ' CG1' ' CG1' ' A' ' 470' ' ' VAL . 21.5 t -98.39 128.33 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.654 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 11.5 mm -97.52 112.02 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.662 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 491' ' ' GLU . . . . . 0.45 ' O ' ' OD1' ' A' ' 492' ' ' ASP . 78.5 mt-10 -114.04 94.34 4.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.339 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 492' ' ' ASP . . . . . 0.726 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 4.5 m-20 -137.14 79.26 38.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.714 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 493' ' ' PRO . . . . . 0.464 ' O ' ' OE1' ' A' ' 497' ' ' GLU . 55.4 Cg_endo -71.31 38.59 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.739 2.293 . . . . 0.0 112.178 -177.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 494' ' ' CYS . . . . . 0.719 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -97.85 -77.65 0.5 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 118.98 -0.533 . . . . 0.0 109.731 179.062 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 495' ' ' PHE . . . . . 0.719 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 33.8 p90 -75.07 -53.16 9.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 110.394 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 496' ' ' ARG . . . . . 0.726 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 24.3 ptt180 -51.5 -12.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.682 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 497' ' ' GLU . . . . . 0.464 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 73.4 tt0 -89.7 -58.11 2.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.495 -177.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -97.38 -46.54 6.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.52 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 499' ' ' TRP . . . . . 0.531 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 6.9 m95 -63.5 -8.37 9.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.493 -177.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 1.02 HG13 ' H ' ' A' ' 501' ' ' GLU . 5.9 p -47.02 -67.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.487 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 1.02 ' H ' HG13 ' A' ' 500' ' ' VAL . 23.0 pt-20 -47.26 -38.85 13.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 502' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -60.95 -44.11 97.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 503' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.7 m-85 -61.33 -41.43 97.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.601 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.621 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.8 mmt85 -48.8 -35.95 15.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.714 177.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -76.59 -10.65 59.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.681 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 91.25 35.78 6.89 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -77.36 155.05 32.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 0.0 110.598 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.6 pt -136.75 155.28 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.446 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 509' ' ' GLN . . . . . 0.554 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 0.8 OUTLIER -132.36 119.12 20.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 177.521 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.785 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -115.98 115.68 26.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.412 -178.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 511' ' ' THR . . . . . 0.7 HG21 ' HB3' ' A' ' 517' ' ' ALA . 0.3 OUTLIER -129.04 111.66 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.714 177.389 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 79.1 m -64.37 -57.81 8.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.479 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 515' ' ' PHE . 40.5 t0 -108.59 99.59 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.536 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 27.1 pt -53.63 -10.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.293 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 515' ' ' PHE . . . . . 0.452 ' H ' ' C ' ' A' ' 513' ' ' ASP . 13.5 m-85 -74.01 -10.98 60.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.5 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -102.38 -15.67 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.566 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 517' ' ' ALA . . . . . 0.7 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -130.9 116.42 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.599 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 518' ' ' GLY . . . . . 0.687 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 106.93 44.84 1.25 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.59 31.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.652 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.687 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.1 OUTLIER -76.82 -176.97 4.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.479 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 522' ' ' CYS . 15.9 pt-20 -106.08 -54.0 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.381 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 522' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 14.8 p -69.68 -40.98 76.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.224 -177.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.537 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 33.5 t60 -57.29 -55.44 34.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.386 -178.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.537 HD21 ' O ' ' A' ' 518' ' ' GLY . 32.7 mt -54.54 -46.28 73.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.522 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -71.6 -17.03 62.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.696 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -83.27 -29.07 28.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.64 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 527' ' ' LEU . 8.8 mp -96.14 -26.54 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.644 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.556 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 14.3 mtt85 -47.55 -59.45 5.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 16.1 Cg_endo -58.33 -29.53 88.32 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.854 2.369 . . . . 0.0 112.045 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 50.8 mt -82.57 -15.41 52.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.554 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.491 ' CE ' HH12 ' A' ' 533' ' ' ARG . 9.1 tptt 68.23 20.44 8.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.511 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.94 116.65 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.515 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 533' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 68.1 mtt85 -125.37 74.34 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 177.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.599 ' HB1' ' CH2' ' A' ' 561' ' ' TRP . . . 172.29 -171.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.244 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -175.14 99.94 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.022 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 536' ' ' LEU . . . . . 0.49 HD13 ' CD1' ' A' ' 561' ' ' TRP . 48.5 tp -133.33 114.12 13.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.137 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 537' ' ' VAL . 30.2 m -117.08 119.45 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 111.229 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.637 ' O ' HD12 ' A' ' 549' ' ' LEU . 98.7 t -115.1 111.98 44.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.01 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.2 132.86 33.11 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.824 2.349 . . . . 0.0 112.342 -174.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.466 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 40.9 mmm -119.0 111.79 18.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.205 175.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.2 t -120.04 123.82 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.952 -176.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 542' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.1 mt -112.89 139.74 36.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.918 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 58.9 t0 45.08 35.68 1.72 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.014 0.435 . . . . 0.0 109.834 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 544' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 1.1 m-20 68.71 25.77 6.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.381 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 545' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 542' ' ' ILE . 94.1 mt-30 -129.79 137.75 50.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.617 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 546' ' ' LEU . . . . . 0.621 ' CB ' HH21 ' A' ' 504' ' ' ARG . 12.8 tp -72.02 92.96 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -83.55 -38.78 21.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 -176.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 548' ' ' GLY . . . . . 0.55 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -159.44 179.66 34.87 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -177.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 538' ' ' VAL . 14.4 tp -151.28 136.6 17.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.712 0.291 . . . . 0.0 110.371 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.581 ' CD1' HG22 ' A' ' 462' ' ' VAL . 24.2 tp -103.23 118.22 36.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.641 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.561 HG22 ' NE2' ' A' ' 553' ' ' HIS . 4.5 mt -122.65 131.97 72.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.621 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.68 146.78 35.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.561 ' NE2' HG22 ' A' ' 551' ' ' ILE . 30.6 m80 -143.24 142.18 31.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -89.64 121.99 32.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.748 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -87.39 -12.56 45.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.334 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 78.7 p -99.07 -72.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.351 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.79 160.66 46.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.512 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -48.26 159.01 0.81 Allowed 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.883 2.388 . . . . 0.0 112.027 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.616 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 43.7 ttt85 -154.56 150.62 27.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.655 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -110.71 108.59 18.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.458 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.785 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.3 OUTLIER -82.95 118.19 23.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.737 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -69.09 159.38 33.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.342 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -56.8 -32.95 66.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.883 0.373 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 14.6 mm -67.19 -38.09 80.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.425 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.28 -31.46 72.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.551 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 24.8 mt -73.05 -42.04 59.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.538 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -52.78 -48.55 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -59.94 -40.38 88.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.521 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.1 m-85 -58.37 -40.83 83.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 66.8 m -60.07 -51.17 70.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.352 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.21 -43.23 98.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.349 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.45 -53.31 58.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.528 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.402 ' O ' ' CE ' ' A' ' 540' ' ' MET . . . -62.69 -41.35 99.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.5 p -56.12 -34.25 65.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 27.7 m -55.62 -43.91 76.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.74 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.5 -45.61 89.33 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 3.8 m -52.22 -40.02 61.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.696 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.37 -48.58 80.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.416 HG22 ' H ' ' A' ' 579' ' ' VAL . 12.2 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.641 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 440' ' ' ARG . . . . . 0.467 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.845 0.355 . . . . 0.0 110.679 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 441' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 50.7 tp60 -68.19 -30.96 70.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.649 -177.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -70.27 -57.86 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 17.6 pt -44.52 -38.39 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.803 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 444' ' ' PHE . . . . . 0.436 ' HB3' ' CB ' ' A' ' 475' ' ' ALA . 27.1 m-85 -59.17 -44.92 92.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.035 178.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 445' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 97.4 mt-10 -55.89 -36.34 67.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 88.3 m -56.36 -33.51 65.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.061 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.527 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.0 OUTLIER -83.21 -50.93 7.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.245 178.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.04 -39.63 83.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.115 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -62.36 -47.83 82.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.868 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -69.29 -40.98 77.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.82 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -55.12 -52.45 46.98 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 452' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 38.0 ptt85 -76.69 -28.61 55.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.711 0.291 . . . . 0.0 111.088 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -79.03 -55.61 5.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.702 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 66.2 mt -66.22 -43.9 85.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.714 -177.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.599 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 13.2 mt -86.37 -14.78 42.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.703 -178.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 456' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 59.57 53.8 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 72.4 m -94.17 157.2 16.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.744 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -78.05 -51.68 9.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.504 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 553' ' ' HIS . 45.8 ttt180 -142.54 142.49 32.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.564 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 35.0 m -146.11 135.31 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 551' ' ' ILE . 17.0 mt -112.57 144.46 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.747 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 3.5 t -143.65 128.44 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.417 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 21.6 p90 -139.37 164.53 29.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.688 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -104.68 141.86 35.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.492 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 465' ' ' PHE . . . . . 0.576 ' CE2' HD21 ' A' ' 546' ' ' LEU . 1.4 m-85 -80.45 143.84 33.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.672 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -111.28 -170.89 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.495 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -80.79 -16.0 54.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.447 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 468' ' ' ASN . . . . . 0.574 ' O ' HG23 ' A' ' 470' ' ' VAL . 84.7 m-20 -101.35 26.75 6.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.521 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 469' ' ' TYR . . . . . 0.491 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.5 m-85 55.76 20.84 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.39 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 470' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 468' ' ' ASN . 94.6 t -108.89 130.37 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.622 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -80.85 174.75 54.88 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 472' ' ' THR . . . . . 0.422 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 93.5 m -147.12 105.22 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.572 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 473' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 488' ' ' GLN . 34.7 t -65.65 82.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.653 -177.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.423 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 14.6 p -81.87 -21.59 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.348 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 475' ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' A' ' 444' ' ' PHE . . . -150.16 135.41 17.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.364 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 476' ' ' GLU . . . . . 0.423 ' H ' ' HD3' ' A' ' 486' ' ' ARG . 49.6 tt0 -158.37 154.14 26.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.679 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 42.8 t -139.53 128.58 23.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.3 m -134.37 140.08 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.534 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.728 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -58.44 171.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 480' ' ' GLU . . . . . 0.68 ' H ' ' CD ' ' A' ' 480' ' ' GLU . 1.3 pm0 -74.05 125.64 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.459 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 113.49 -10.49 23.93 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 482' ' ' TRP . . . . . 0.728 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 35.9 m95 -102.46 167.36 10.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 0.0 110.844 178.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -86.06 128.96 3.3 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 123.008 2.472 . . . . 0.0 111.907 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -91.01 148.33 22.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.685 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -112.12 -97.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.543 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 487' ' ' ASP . 34.5 mmm-85 60.03 122.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.707 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 487' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 10.9 t0 77.53 15.87 1.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.52 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.412 ' O ' HG23 ' A' ' 473' ' ' VAL . 88.8 mt-30 -103.69 147.07 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 178.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 32.9 m -108.51 133.33 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.575 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 490' ' ' ILE . . . . . 0.431 HD12 ' CD2' ' A' ' 463' ' ' TYR . 58.6 mt -101.58 119.65 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.669 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 491' ' ' GLU . . . . . 0.421 ' HA ' HH12 ' A' ' 496' ' ' ARG . 97.6 mt-10 -110.57 94.21 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.319 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 492' ' ' ASP . . . . . 0.718 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 3.8 m-20 -132.71 78.35 66.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.746 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 493' ' ' PRO . . . . . 0.489 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 55.7 Cg_endo -71.32 35.19 0.28 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.806 2.338 . . . . 0.0 112.193 -177.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 494' ' ' CYS . . . . . 0.728 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -95.54 -78.5 0.45 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.511 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 495' ' ' PHE . . . . . 0.728 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 36.5 p90 -75.72 -53.1 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.318 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 496' ' ' ARG . . . . . 0.718 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 25.1 ptt180 -51.44 -14.1 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.607 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 497' ' ' GLU . . . . . 0.459 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 66.6 tt0 -89.83 -58.93 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.494 -177.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 498' ' ' HIS . . . . . 0.436 ' NE2' ' OE1' ' A' ' 497' ' ' GLU . 2.1 m80 -95.14 -46.59 6.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.439 -177.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 499' ' ' TRP . . . . . 0.448 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 6.2 m95 -65.21 -3.76 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.46 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 1.018 HG13 ' H ' ' A' ' 501' ' ' GLU . 6.2 p -48.76 -67.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.507 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 1.018 ' H ' HG13 ' A' ' 500' ' ' VAL . 23.1 pt-20 -47.06 -39.08 12.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.557 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 502' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -63.71 -42.43 97.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -62.15 -40.72 96.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.632 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' A' ' 504' ' ' ARG . 12.0 mmt-85 -50.94 -34.12 27.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.671 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -77.55 -9.88 59.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.727 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 88.32 34.32 9.67 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 507' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 539' ' ' PRO . 22.1 mmt85 -71.58 155.49 40.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.614 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.66 HD11 HD11 ' A' ' 536' ' ' LEU . 7.3 tt -138.34 150.4 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.443 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 509' ' ' GLN . . . . . 0.622 HE22 ' CG ' ' A' ' 535' ' ' ASN . 0.7 OUTLIER -128.57 123.77 34.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.682 177.414 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.789 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -115.75 111.81 21.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.416 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 511' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 517' ' ' ALA . 1.5 m -131.61 111.55 11.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.685 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 512' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 512' ' ' THR . 3.1 p -66.1 -55.05 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.482 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.419 ' N ' ' OG1' ' A' ' 512' ' ' THR . 41.7 t0 -104.43 97.62 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.621 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.623 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 46.7 pt -55.24 -10.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.391 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 515' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 513' ' ' ASP . 18.3 m-85 -76.43 -12.57 60.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.516 -178.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 516' ' ' LYS . . . . . 0.46 ' HE3' HG23 ' A' ' 511' ' ' THR . 1.3 pttp -101.31 -11.12 19.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.549 178.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 517' ' ' ALA . . . . . 0.53 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -129.71 114.71 16.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 518' ' ' GLY . . . . . 0.708 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 99.5 45.29 2.17 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 23.9 mt -58.75 34.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.759 0.314 . . . . 0.0 110.647 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.708 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.2 OUTLIER -76.24 -173.62 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.421 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.616 ' H ' HG22 ' A' ' 520' ' ' THR . 18.4 pt-20 -107.95 -49.46 3.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.327 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 522' ' ' CYS . . . . . 0.629 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 8.1 p -71.04 -44.25 66.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.198 -177.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.629 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 74.7 t60 -56.86 -55.41 34.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.466 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.473 HD21 ' O ' ' A' ' 518' ' ' GLY . 17.2 mt -53.63 -46.73 70.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.526 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -72.23 -11.84 60.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.713 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -89.39 -31.24 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.627 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 527' ' ' LEU . 10.1 mp -93.98 -30.1 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.618 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.562 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 18.5 mtp180 -47.13 -59.23 5.67 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 12.8 Cg_endo -56.45 -28.64 74.31 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.876 2.384 . . . . 0.0 112.061 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 36.8 mt -85.62 -14.8 44.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 4.2 tptm 67.98 20.64 9.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 29.6 t -68.36 114.23 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.584 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 533' ' ' ARG . . . . . 0.527 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 86.3 mtt-85 -122.57 73.89 1.15 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.623 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.32 -171.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.225 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 535' ' ' ASN . . . . . 0.622 ' CG ' HE22 ' A' ' 509' ' ' GLN . 10.4 t-20 -174.4 99.46 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 111.083 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 536' ' ' LEU . . . . . 0.66 HD11 HD11 ' A' ' 508' ' ' ILE . 53.1 tp -134.78 114.72 12.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.177 177.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 537' ' ' VAL . 27.2 m -118.85 120.73 64.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.165 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 60.1 t -119.27 99.81 50.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.99 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 539' ' ' PRO . . . . . 0.492 ' CG ' ' O ' ' A' ' 507' ' ' ARG . 31.8 Cg_exo -54.33 133.45 56.1 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.805 2.337 . . . . 0.0 112.367 -175.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.472 ' CE ' ' O ' ' A' ' 573' ' ' ALA . 44.4 mmm -114.96 113.95 24.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.227 175.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.7 t -120.01 127.81 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 542' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 545' ' ' GLN . 90.2 mt -114.24 136.77 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.954 178.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 58.1 t0 43.03 31.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.07 0.462 . . . . 0.0 109.844 -176.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 544' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 0.4 OUTLIER 75.99 25.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.415 179.439 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 545' ' ' GLN . . . . . 0.568 ' N ' ' O ' ' A' ' 542' ' ' ILE . 93.0 mt-30 -127.59 128.97 46.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.634 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 546' ' ' LEU . . . . . 0.576 HD21 ' CE2' ' A' ' 465' ' ' PHE . 16.0 tp -66.66 92.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.54 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -84.85 -37.71 20.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.517 -176.854 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 548' ' ' GLY . . . . . 0.54 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -158.84 -179.46 33.71 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -176.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 31.1 tp -146.95 138.21 24.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.707 0.289 . . . . 0.0 110.355 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 20.7 tp -104.69 108.72 20.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.646 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.631 ' HB ' ' CE1' ' A' ' 553' ' ' HIS . 0.5 OUTLIER -116.89 131.22 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.635 -178.903 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 552' ' ' ALA . . . . . 0.487 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -121.65 147.05 46.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.556 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.631 ' CE1' ' HB ' ' A' ' 551' ' ' ILE . 3.0 m-70 -152.19 151.88 31.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.671 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.463 ' OE1' ' NH1' ' A' ' 559' ' ' ARG . 3.0 mp0 -90.85 117.68 29.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.685 177.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -77.53 -8.45 57.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.303 -178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 55.2 p -99.18 -71.91 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.336 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -142.09 159.23 59.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.483 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -48.0 163.37 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.922 2.415 . . . . 0.0 112.081 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.585 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 21.8 ttt-85 -159.78 152.96 22.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.69 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -111.48 109.2 19.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.445 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.789 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.0 OUTLIER -78.79 116.04 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.684 177.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -68.39 162.44 25.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.364 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -58.16 -34.99 70.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.438 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 564' ' ' ILE . . . . . 0.429 HG22 ' NE2' ' A' ' 568' ' ' GLN . 93.1 mt -63.32 -39.6 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.427 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.588 ' N ' ' OE1' ' A' ' 565' ' ' GLU . 2.7 mp0 -62.76 -32.74 73.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.573 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 82.7 mt -66.44 -47.49 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -52.37 -48.39 65.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.599 ' OE1' ' N ' ' A' ' 568' ' ' GLN . 0.5 OUTLIER -61.11 -40.65 94.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 179.187 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 5.9 m-85 -58.57 -43.42 89.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.329 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 58.8 m -59.21 -50.98 71.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.358 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -64.75 -41.87 95.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.325 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.44 -55.46 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.549 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.472 ' O ' ' CE ' ' A' ' 540' ' ' MET . . . -61.6 -44.07 97.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.541 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 80.7 p -55.59 -32.18 62.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.599 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 15.7 m -56.17 -43.47 78.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.72 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.93 -46.26 91.11 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 1.5 t -49.6 -44.81 47.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.67 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.6 mt -59.24 -41.87 89.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 98.7 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.647 -178.828 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 440' ' ' ARG . . . . . 0.481 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 4.3 ptp180 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.801 0.334 . . . . 0.0 110.659 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 441' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 61.1 tp60 -69.48 -31.5 69.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.635 -177.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 442' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 445' ' ' GLU . . . -70.4 -57.16 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -177.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 443' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 12.5 pt -43.33 -39.06 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.742 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 444' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 35.6 m-85 -62.19 -41.01 97.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 445' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 442' ' ' ALA . 49.6 tp10 -57.58 -36.37 71.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 94.9 m -60.73 -35.73 77.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.065 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.531 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.2 mt -80.28 -48.83 12.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.504 ' CG1' ' OG ' ' A' ' 477' ' ' SER . 47.5 t -67.78 -39.4 81.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.125 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -61.21 -47.22 87.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.763 0.316 . . . . 0.0 110.863 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -69.41 -39.7 77.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.853 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -55.79 -52.42 48.66 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.439 -0.664 . . . . 0.0 111.439 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 452' ' ' ARG . . . . . 0.471 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 9.2 ptm180 -76.68 -29.98 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.065 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -77.49 -55.12 5.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.88 0.371 . . . . 0.0 110.751 -178.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 58.5 mt -67.54 -42.76 82.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.672 -177.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.612 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.7 mt -87.75 -15.26 37.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.682 -178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 456' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 59.65 55.12 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 72.7 m -94.03 154.88 17.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.606 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.515 ' OD2' ' NE2' ' A' ' 554' ' ' GLN . 90.9 m-20 -77.95 -50.71 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.45 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 553' ' ' HIS . 19.4 ttt180 -140.65 138.86 34.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.553 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 460' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 460' ' ' VAL . 33.2 m -144.19 128.7 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.461 177.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 16.3 tt -113.91 139.01 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.766 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 550' ' ' LEU . 2.7 t -136.02 129.6 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.404 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.656 ' CD2' HD12 ' A' ' 490' ' ' ILE . 24.8 p90 -141.14 142.82 34.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.707 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -83.05 145.93 29.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.388 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 465' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.4 m-85 -82.82 146.29 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.697 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -111.32 -172.55 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.464 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -80.13 -13.57 59.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.443 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 468' ' ' ASN . . . . . 0.422 ' O ' HG23 ' A' ' 470' ' ' VAL . 88.2 m-20 -102.02 27.62 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.497 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 469' ' ' TYR . . . . . 0.599 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 7.0 m-85 54.85 18.04 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.333 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 470' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 468' ' ' ASN . 44.3 t -108.79 133.07 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.71 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.43 ' O ' HG13 ' A' ' 489' ' ' VAL . . . -83.02 173.42 52.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -177.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 472' ' ' THR . . . . . 0.403 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 89.4 m -148.1 111.83 5.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.778 0.323 . . . . 0.0 110.68 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 473' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 488' ' ' GLN . 47.7 t -71.91 93.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.649 -177.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.522 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 13.7 m -97.0 -20.1 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.339 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 475' ' ' ALA . . . . . 0.455 ' HB2' ' NE2' ' A' ' 441' ' ' GLN . . . -148.5 131.57 16.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.384 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 476' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' ' 486' ' ' ARG . 60.3 tt0 -157.74 153.15 26.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.675 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 477' ' ' SER . . . . . 0.504 ' OG ' ' CG1' ' A' ' 448' ' ' VAL . 82.5 p -137.52 126.26 23.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.579 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.84 143.01 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.602 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -60.88 172.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.71 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -73.59 127.49 32.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.425 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.65 -9.61 25.89 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 482' ' ' TRP . . . . . 0.602 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 40.1 m95 -103.38 168.41 8.76 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.981 0.419 . . . . 0.0 110.798 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -84.96 129.34 3.93 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.972 2.448 . . . . 0.0 111.917 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -96.76 148.32 23.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.706 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 485' ' ' ALA . . . . . 0.437 ' HB3' HG11 ' A' ' 473' ' ' VAL . . . -115.85 -94.32 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 -179.137 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.447 HH21 ' CD ' ' A' ' 441' ' ' GLN . 34.1 mmm-85 65.18 16.77 10.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.68 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -176.36 20.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.502 ' O ' HG23 ' A' ' 473' ' ' VAL . 90.0 mt-30 -103.29 142.68 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.562 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 471' ' ' GLY . 14.1 t -102.33 133.73 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.621 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 490' ' ' ILE . . . . . 0.656 HD12 ' CD2' ' A' ' 463' ' ' TYR . 17.0 mt -102.04 118.65 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.743 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -118.71 88.14 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.255 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 492' ' ' ASP . . . . . 0.748 ' C ' ' HE ' ' A' ' 496' ' ' ARG . 7.3 m-20 -129.13 83.54 65.56 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.58 39.61 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.695 2.263 . . . . 0.0 112.223 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 494' ' ' CYS . . . . . 0.756 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -97.9 -71.4 0.69 Allowed 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.198 179.307 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 495' ' ' PHE . . . . . 0.756 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 30.8 p90 -79.58 -52.54 7.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 118.864 0.756 . . . . 0.0 110.281 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 496' ' ' ARG . . . . . 0.748 ' HE ' ' C ' ' A' ' 492' ' ' ASP . 7.5 ptt180 -52.48 -13.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.657 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 497' ' ' GLU . . . . . 0.422 ' OE1' ' CD2' ' A' ' 498' ' ' HIS . 5.1 tm-20 -91.18 -58.69 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.573 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 498' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 494' ' ' CYS . 1.7 m80 -91.46 -38.33 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.45 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 499' ' ' TRP . . . . . 0.515 ' N ' ' O ' ' A' ' 495' ' ' PHE . 8.9 m95 -82.65 21.84 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.494 -178.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 1.072 HG13 ' H ' ' A' ' 501' ' ' GLU . 3.6 p -69.16 -70.45 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.52 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 1.072 ' H ' HG13 ' A' ' 500' ' ' VAL . 21.8 pt-20 -48.85 -38.63 22.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.508 178.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -56.91 -44.26 82.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 503' ' ' TYR . . . . . 0.459 ' OH ' HG21 ' A' ' 537' ' ' VAL . 4.1 m-85 -63.14 -40.84 98.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.592 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.599 ' NE ' ' O ' ' A' ' 544' ' ' ASP . 4.0 tpt180 -47.71 -33.6 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.715 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -80.37 -7.75 59.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.663 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 506' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 88.09 33.56 10.69 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 507' ' ' ARG . . . . . 0.534 ' O ' ' CG ' ' A' ' 539' ' ' PRO . 32.7 mmt180 -72.63 155.31 40.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 0.0 110.603 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 5.4 tt -137.11 152.04 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.425 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 509' ' ' GLN . . . . . 0.886 HE22 ' ND2' ' A' ' 535' ' ' ASN . 0.3 OUTLIER -131.36 121.39 24.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.689 177.257 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.812 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -113.99 113.9 25.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.367 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 511' ' ' THR . . . . . 0.539 HG21 ' HB3' ' A' ' 517' ' ' ALA . 0.2 OUTLIER -130.22 109.2 10.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.614 177.822 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 60.0 m -62.96 -61.52 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.548 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.3 t0 -104.13 98.73 8.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.567 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 25.1 pt -54.45 -10.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.338 -177.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 515' ' ' PHE . . . . . 0.443 ' H ' ' C ' ' A' ' 513' ' ' ASP . 18.0 m-85 -76.18 -13.65 60.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.419 -178.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 516' ' ' LYS . . . . . 0.519 ' HE2' HG22 ' A' ' 511' ' ' THR . 25.8 pttt -98.71 -11.68 21.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.573 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 517' ' ' ALA . . . . . 0.539 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -132.39 116.49 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 -178.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 518' ' ' GLY . . . . . 0.752 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 104.29 45.13 1.49 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 177.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 10.4 mt -57.23 30.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.722 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.752 ' H ' ' C ' ' A' ' 518' ' ' GLY . 72.9 p -77.56 -173.81 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.534 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 522' ' ' CYS . 21.0 pt-20 -110.03 -41.54 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.375 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 522' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 526' ' ' GLN . 6.2 t -70.41 -48.23 57.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.254 -178.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.429 ' NE2' HD22 ' A' ' 527' ' ' LEU . 55.6 t60 -56.07 -53.0 62.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.453 -177.169 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.408 HD21 ' O ' ' A' ' 518' ' ' GLY . 9.4 mt -57.76 -47.78 81.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -72.39 -22.54 61.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.772 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 526' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 522' ' ' CYS . 38.7 tt0 -83.12 -30.44 27.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.624 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.429 HD22 ' NE2' ' A' ' 523' ' ' HIS . 8.9 mp -92.43 -33.8 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.587 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 6.2 mtp180 -43.2 -58.26 4.35 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.639 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 10.8 Cg_endo -55.15 -26.86 53.03 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.765 2.31 . . . . 0.0 112.052 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 24.6 mt -87.38 -8.6 56.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.545 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 531' ' ' LYS . 0.0 OUTLIER 54.07 27.16 7.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 7.9 t -75.71 124.24 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.474 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 533' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 61.2 mtp180 -127.05 75.41 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.567 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.7 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.177 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 535' ' ' ASN . . . . . 0.886 ' ND2' HE22 ' A' ' 509' ' ' GLN . 24.6 t-20 -174.54 98.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.113 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 536' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 50.2 tp -134.02 113.2 11.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.196 177.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.459 HG21 ' OH ' ' A' ' 503' ' ' TYR . 18.4 m -124.35 120.97 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.26 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 538' ' ' VAL . 8.7 p -119.68 107.46 40.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.976 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 539' ' ' PRO . . . . . 0.534 ' CG ' ' O ' ' A' ' 507' ' ' ARG . 31.5 Cg_exo -54.46 133.95 59.02 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.753 2.302 . . . . 0.0 112.4 -175.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.523 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 55.0 mmm -117.41 113.76 22.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.233 175.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 541' ' ' VAL . 4.0 m -122.53 125.11 72.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.957 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 542' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 545' ' ' GLN . 96.4 mt -104.07 139.97 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.863 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 543' ' ' ASP . . . . . 0.4 ' O ' ' CB ' ' A' ' 544' ' ' ASP . 84.7 m-20 43.17 30.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -176.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 544' ' ' ASP . . . . . 0.599 ' O ' ' NE ' ' A' ' 504' ' ' ARG . 18.4 t0 75.75 25.75 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.414 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 545' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 542' ' ' ILE . 91.5 mt-30 -126.75 125.12 41.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.677 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 17.2 tp -62.76 92.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.517 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.1 OUTLIER -88.62 -38.11 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.578 -176.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 548' ' ' GLY . . . . . 0.504 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -155.24 -179.99 30.81 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.432 HD23 HD11 ' A' ' 551' ' ' ILE . 34.9 tp -148.51 137.48 21.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.739 0.304 . . . . 0.0 110.369 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.468 ' CD1' HG22 ' A' ' 462' ' ' VAL . 23.4 tp -105.43 116.32 31.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.666 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.493 HG22 ' NE2' ' A' ' 553' ' ' HIS . 6.2 mt -121.74 133.97 66.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.501 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.43 140.88 44.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.543 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.493 ' NE2' HG22 ' A' ' 551' ' ' ILE . 38.9 m80 -137.62 139.22 40.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.614 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.515 ' NE2' ' OD2' ' A' ' 458' ' ' ASP . 10.4 mm100 -90.46 115.92 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.693 175.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.449 ' O ' ' CH2' ' A' ' 482' ' ' TRP . . . -83.88 -10.69 57.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.349 -178.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 42.2 t -100.32 -72.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.313 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.16 158.56 54.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.512 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -47.87 160.16 0.5 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.865 2.377 . . . . 0.0 112.012 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.615 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 43.2 ttt85 -153.94 150.07 27.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.64 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -110.49 110.2 20.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.432 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.812 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.1 OUTLIER -82.82 119.63 24.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 178.793 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -70.49 160.2 32.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.328 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -57.99 -35.4 71.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 110.539 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 564' ' ' ILE . . . . . 0.474 ' O ' ' OE1' ' A' ' 568' ' ' GLN . 32.9 mm -61.21 -41.42 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.452 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.14 -31.98 70.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.527 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 29.7 mm -66.78 -46.2 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.558 177.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -51.35 -49.19 61.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.513 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.474 ' OE1' ' O ' ' A' ' 564' ' ' ILE . 10.9 mp0 -61.98 -39.75 93.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.489 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.612 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.4 m-85 -57.86 -43.88 86.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.329 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 570' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 574' ' ' SER . 11.7 t -58.18 -52.87 63.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.413 -178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.75 -40.62 95.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.36 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 572' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 572' ' ' LEU . 47.4 tp -63.1 -54.88 31.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.478 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.523 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -66.03 -42.54 89.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 574' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 570' ' ' SER . 74.7 m -57.36 -33.08 67.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.604 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 55.1 m -57.14 -46.82 82.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.687 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -54.5 -45.12 77.59 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 1.9 t -51.52 -41.39 60.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.705 0.288 . . . . 0.0 110.615 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -57.99 -43.86 86.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.667 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.674 -179.141 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 440' ' ' ARG . . . . . 0.466 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 4.1 ptp85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.813 0.34 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 441' ' ' GLN . . . . . 0.56 ' CD ' HH21 ' A' ' 486' ' ' ARG . 42.4 tp60 -68.79 -29.98 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.679 -176.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.65 -57.84 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.613 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 13.8 pt -45.13 -38.56 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.786 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 444' ' ' PHE . . . . . 0.402 ' N ' HG13 ' A' ' 443' ' ' ILE . 26.8 m-85 -59.42 -45.01 92.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.012 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 445' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 97.2 mt-10 -58.03 -34.65 70.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.145 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 71.9 m -60.59 -31.45 70.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.99 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.528 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.9 mt -82.22 -49.0 10.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 74.3 t -69.99 -35.7 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.116 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -64.76 -48.08 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.788 0.328 . . . . 0.0 110.811 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -72.86 -36.74 67.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -58.05 -51.73 56.61 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 452' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 8.6 ptm180 -79.23 -29.49 42.75 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.991 -0.283 . . . . 0.0 111.053 -178.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -76.69 -54.53 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.715 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 53.3 mt -69.27 -44.37 72.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.645 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.1 mt -84.62 -14.42 48.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.729 -178.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 456' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 59.62 55.71 3.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.371 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 76.6 m -94.61 152.85 18.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.694 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.435 ' OD2' ' OE1' ' A' ' 554' ' ' GLN . 80.1 m-20 -75.52 -53.55 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.49 -178.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.488 ' O ' ' O ' ' A' ' 553' ' ' HIS . 35.0 ttt180 -143.01 142.34 31.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.517 -177.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 34.4 m -147.05 135.21 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.467 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 15.1 mt -114.27 137.04 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.766 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.596 HG22 ' CD1' ' A' ' 550' ' ' LEU . 2.5 t -133.46 124.87 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.529 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 24.5 p90 -140.99 141.18 34.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.653 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -82.31 148.49 28.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.405 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 465' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.6 m-85 -81.64 147.21 29.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.603 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -111.57 -172.7 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.494 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 467' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 52.7 p30 -81.31 -10.9 59.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.467 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 468' ' ' ASN . . . . . 0.736 ' O ' HG23 ' A' ' 470' ' ' VAL . 92.7 m-20 -105.64 26.07 10.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.499 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 469' ' ' TYR . . . . . 0.447 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.2 m-85 55.47 20.71 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.382 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 470' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 468' ' ' ASN . 23.0 t -110.06 131.93 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.63 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -78.39 170.1 54.68 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 472' ' ' THR . . . . . 0.404 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 64.1 m -145.72 105.84 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.53 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 473' ' ' VAL . . . . . 0.475 ' HB ' ' H ' ' A' ' 488' ' ' GLN . 19.1 t -68.81 96.91 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.687 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.475 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 11.6 p -94.17 -21.81 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.283 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.91 133.62 15.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.357 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -153.6 153.15 31.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.656 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 42.0 t -139.54 128.25 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.4 m -132.55 139.34 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 -177.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.794 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -55.69 170.02 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.704 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -73.85 125.58 28.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.441 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.72 -10.63 25.57 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 482' ' ' TRP . . . . . 0.794 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 38.7 m95 -103.0 147.78 34.63 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.811 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -66.45 127.9 18.21 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.056 2.504 . . . . 0.0 111.892 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -88.23 147.14 24.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.779 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 485' ' ' ALA . . . . . 0.462 ' HB1' ' CD ' ' A' ' 488' ' ' GLN . . . -114.68 -96.23 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.56 HH21 ' CD ' ' A' ' 441' ' ' GLN . 20.6 ttt180 58.17 133.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.677 -178.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 68.79 21.13 7.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.475 ' H ' ' HB ' ' A' ' 473' ' ' VAL . 80.8 mt-30 -104.35 151.84 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.492 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 489' ' ' VAL . 8.8 p -108.69 129.29 63.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.684 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 490' ' ' ILE . . . . . 0.427 HD12 ' CD2' ' A' ' 463' ' ' TYR . 54.0 mt -104.76 127.76 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.711 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 491' ' ' GLU . . . . . 0.434 ' HA ' HH12 ' A' ' 496' ' ' ARG . 70.6 tt0 -118.53 96.96 5.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.284 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 492' ' ' ASP . . . . . 0.719 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 16.1 m-20 -135.55 82.51 39.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.738 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 493' ' ' PRO . . . . . 0.467 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 73.3 Cg_endo -78.09 40.97 0.94 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.721 2.281 . . . . 0.0 112.23 -175.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 494' ' ' CYS . . . . . 0.768 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -100.74 -75.48 0.58 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 118.956 -0.545 . . . . 0.0 109.843 178.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 495' ' ' PHE . . . . . 0.768 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 23.5 p90 -75.19 -51.59 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.067 0.394 . . . . 0.0 110.312 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 496' ' ' ARG . . . . . 0.719 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 29.2 ptt180 -54.24 -15.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.601 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 497' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 68.8 tt0 -89.82 -58.7 2.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.522 -178.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 498' ' ' HIS . . . . . 0.506 ' C ' ' H ' ' A' ' 500' ' ' VAL . 1.2 m80 -91.23 -46.8 7.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.455 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 499' ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' ' 495' ' ' PHE . 12.0 m95 -73.73 21.74 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.548 -178.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 1.079 HG13 ' H ' ' A' ' 501' ' ' GLU . 3.6 p -67.35 -70.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.463 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 1.079 ' H ' HG13 ' A' ' 500' ' ' VAL . 22.2 pt-20 -50.16 -39.13 42.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -55.08 -45.82 75.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.473 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 503' ' ' TYR . . . . . 0.424 ' OH ' HG21 ' A' ' 537' ' ' VAL . 4.1 m-85 -62.44 -40.09 95.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.612 178.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.586 ' NE ' ' O ' ' A' ' 544' ' ' ASP . 5.7 tpt180 -48.89 -37.54 20.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.753 177.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -76.09 -8.06 56.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.692 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 90.2 34.6 8.03 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -76.22 155.33 34.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.824 0.345 . . . . 0.0 110.596 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.5 pt -139.15 159.14 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.516 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 509' ' ' GLN . . . . . 0.609 ' NE2' ' O ' ' A' ' 509' ' ' GLN . 0.0 OUTLIER -140.96 124.68 16.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.657 177.329 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.783 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.02 118.31 32.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.388 -177.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 511' ' ' THR . . . . . 0.509 ' OG1' ' OE1' ' A' ' 509' ' ' GLN . 0.3 OUTLIER -128.56 107.24 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.711 177.233 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 512' ' ' THR . . . . . 0.426 ' OG1' ' OE1' ' A' ' 560' ' ' GLN . 99.6 m -61.31 -60.35 3.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.516 -178.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.586 ' OD1' ' N ' ' A' ' 513' ' ' ASP . 8.5 p-10 -105.07 99.91 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.598 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.601 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 40.4 pt -52.83 -8.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.32 -179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 515' ' ' PHE . . . . . 0.501 ' H ' ' C ' ' A' ' 513' ' ' ASP . 35.1 m-85 -82.24 7.3 14.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.503 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.74 -10.41 14.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.641 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -128.22 113.26 15.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 518' ' ' GLY . . . . . 0.663 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 81.54 46.16 6.99 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 519' ' ' LEU . . . . . 0.406 ' CD2' ' O ' ' A' ' 515' ' ' PHE . 11.7 mt -49.68 -1.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.708 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.663 ' H ' ' C ' ' A' ' 518' ' ' GLY . 35.2 m -153.58 128.47 9.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.534 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.606 ' HB3' ' O ' ' A' ' 520' ' ' THR . 6.1 pt-20 159.01 171.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.376 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 522' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 526' ' ' GLN . 25.5 p -65.76 -27.6 68.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.218 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -52.21 -50.37 62.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.48 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.411 HD11 ' O ' ' A' ' 518' ' ' GLY . 4.6 mt -56.42 -50.69 70.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.471 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -73.4 -20.72 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.752 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 526' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 522' ' ' CYS . 41.0 tt0 -87.15 -27.12 23.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.629 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 9.4 mp -101.11 -11.16 19.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.596 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 2.3 ttt85 -55.57 -44.81 99.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.644 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 12.7 Cg_exo -69.39 -25.68 30.08 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.846 2.364 . . . . 0.0 112.069 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 37.7 mt -85.76 -13.27 48.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.505 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 6.1 tptp 63.53 25.09 14.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.498 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 7.0 t -69.57 112.29 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.526 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 533' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 75.1 mtt180 -122.34 74.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.626 ' HB1' ' CH2' ' A' ' 561' ' ' TRP . . . 171.14 -170.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.266 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -174.94 99.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 111.063 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 536' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 561' ' ' TRP . 39.3 tp -134.25 113.63 12.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.149 177.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.424 HG21 ' OH ' ' A' ' 503' ' ' TYR . 19.4 m -115.58 121.84 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.228 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.63 ' O ' HD12 ' A' ' 549' ' ' LEU . 69.4 t -119.92 112.69 34.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.902 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.88 133.86 37.82 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.812 2.341 . . . . 0.0 112.332 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.526 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 46.4 mmm -114.41 117.33 30.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.152 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 12.5 t -119.62 128.2 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.98 0.419 . . . . 0.0 110.894 -176.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 542' ' ' ILE . . . . . 0.617 ' O ' ' N ' ' A' ' 545' ' ' GLN . 28.6 mm -109.55 135.11 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.883 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 543' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 544' ' ' ASP . 58.8 t0 41.03 30.89 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.097 0.475 . . . . 0.0 109.857 -177.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 544' ' ' ASP . . . . . 0.586 ' O ' ' NE ' ' A' ' 504' ' ' ARG . 11.9 t0 80.25 25.59 0.34 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.474 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 545' ' ' GLN . . . . . 0.617 ' N ' ' O ' ' A' ' 542' ' ' ILE . 95.0 mt-30 -130.37 126.62 37.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.613 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.04 94.83 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.521 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.681 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -94.67 -30.7 14.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.572 -176.826 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 548' ' ' GLY . . . . . 0.681 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -155.73 -178.9 30.39 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -177.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.647 HD12 ' H ' ' A' ' 550' ' ' LEU . 11.2 tp -153.85 139.8 18.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.727 0.299 . . . . 0.0 110.393 -178.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.647 ' H ' HD12 ' A' ' 549' ' ' LEU . 25.8 tp -107.75 119.39 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.663 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.585 HG22 ' NE2' ' A' ' 553' ' ' HIS . 1.9 mt -124.29 132.53 71.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 552' ' ' ALA . . . . . 0.473 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -117.79 148.03 42.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.585 ' NE2' HG22 ' A' ' 551' ' ' ILE . 0.4 OUTLIER -151.36 149.29 29.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.676 178.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.435 ' OE1' ' OD2' ' A' ' 458' ' ' ASP . 87.2 mm-40 -87.47 121.26 29.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.763 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -80.74 -9.5 59.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.281 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 58.8 p -99.72 -72.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.307 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -142.17 159.08 59.96 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.485 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -49.1 163.53 0.33 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.864 2.376 . . . . 0.0 112.031 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.57 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 37.1 ttt85 -159.07 151.85 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.662 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 560' ' ' GLN . . . . . 0.426 ' OE1' ' OG1' ' A' ' 512' ' ' THR . 67.8 tp60 -109.06 107.58 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.489 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.783 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.2 OUTLIER -82.07 119.88 24.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.706 179.432 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -71.12 159.21 35.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.356 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -56.33 -33.39 65.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.446 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 564' ' ' ILE . . . . . 0.415 HG22 ' NE2' ' A' ' 568' ' ' GLN . 93.1 mt -66.67 -38.18 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.437 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.41 -32.49 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.618 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 23.0 mt -73.13 -42.44 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.556 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -51.13 -48.75 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.502 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.571 ' OE1' ' N ' ' A' ' 568' ' ' GLN . 0.5 OUTLIER -59.75 -41.55 91.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.539 179.313 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.7 m-85 -57.43 -41.17 79.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.429 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 65.5 m -60.03 -51.46 69.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.358 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.54 -43.16 97.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.354 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.39 -53.83 49.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.473 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.526 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -63.14 -43.8 97.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.0 p -58.83 -33.35 70.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 23.8 m -49.82 -53.12 27.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.724 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -52.04 -39.85 50.04 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 11.3 p -49.46 -47.85 48.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.673 0.273 . . . . 0.0 110.686 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 12.3 mt -50.3 -41.42 50.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.731 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.602 -179.367 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 440' ' ' ARG . . . . . 0.5 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 2.9 ptp180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.798 0.333 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.83 -34.2 76.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.737 -177.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.16 -58.21 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.594 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 14.4 pt -43.21 -39.49 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.746 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 444' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 29.5 m-85 -59.35 -44.24 92.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.991 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 445' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 96.5 mt-10 -54.96 -35.06 63.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 89.6 m -59.05 -34.82 72.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.992 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.517 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.3 mt -79.14 -49.56 12.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.232 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.678 HG22 HG21 ' A' ' 462' ' ' VAL . 2.4 t -69.48 -37.22 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.113 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -63.16 -45.43 91.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.853 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 454' ' ' LEU . 4.1 mptt -72.37 -46.65 54.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.2 -49.37 31.0 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 35.5 ptt85 -76.97 -32.91 57.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.67 0.271 . . . . 0.0 111.069 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -78.32 -58.69 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.797 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 450' ' ' LYS . 46.5 mt -59.4 -41.74 90.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.692 -177.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.613 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.4 mt -90.51 -11.06 41.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.739 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 58.79 54.08 5.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.36 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.455 ' SG ' ' OE1' ' A' ' 554' ' ' GLN . 5.9 t -93.7 153.2 18.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.703 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -76.47 -50.91 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.492 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.534 ' O ' ' O ' ' A' ' 553' ' ' HIS . 26.7 ttt180 -141.6 140.56 33.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.561 -178.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 460' ' ' VAL . . . . . 0.404 HG12 ' HB1' ' A' ' 552' ' ' ALA . 18.9 m -146.99 136.1 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.409 178.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 17.5 mt -114.74 142.22 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.801 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.678 HG21 HG22 ' A' ' 448' ' ' VAL . 5.7 t -139.24 127.26 26.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.454 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.474 ' HB2' ' C ' ' A' ' 472' ' ' THR . 26.1 p90 -140.21 159.05 43.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.671 -178.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -99.15 142.41 30.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.499 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 465' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 547' ' ' PHE . 1.7 m-85 -83.22 146.12 28.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -111.71 -171.26 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.512 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 467' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 54.3 p30 -82.82 -12.65 57.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.483 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 468' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 470' ' ' VAL . 91.8 m-20 -105.95 31.98 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.458 -178.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 469' ' ' TYR . . . . . 0.534 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 51.1 m-85 53.14 17.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.417 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 470' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 468' ' ' ASN . 42.7 t -107.38 127.26 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.616 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -86.63 177.91 48.59 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 472' ' ' THR . . . . . 0.474 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 53.9 m -149.47 110.2 4.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.78 0.324 . . . . 0.0 110.632 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 473' ' ' VAL . . . . . 0.513 ' HB ' ' H ' ' A' ' 488' ' ' GLN . 43.1 t -69.43 84.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.67 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 28.3 m -80.23 -20.29 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.354 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.33 136.27 15.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.351 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -151.86 152.46 32.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.689 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 60.3 p -138.9 126.73 22.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.586 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.2 m -134.71 139.14 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.574 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.802 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -56.34 171.33 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.669 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -74.41 125.31 28.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.471 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.49 -10.8 26.06 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 482' ' ' TRP . . . . . 0.802 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 41.9 m95 -102.2 148.07 34.87 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 110.774 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -63.51 128.65 22.94 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.922 2.414 . . . . 0.0 111.918 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -92.69 146.63 23.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.714 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 485' ' ' ALA . . . . . 0.584 ' HB1' ' CD ' ' A' ' 488' ' ' GLN . . . -115.21 -96.89 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.66 ' CG ' HH11 ' A' ' 486' ' ' ARG . 0.0 OUTLIER 68.1 128.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.651 -178.791 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 29.4 t0 67.15 26.21 8.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.53 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.584 ' CD ' ' HB1' ' A' ' 485' ' ' ALA . 73.5 mt-30 -101.99 146.32 28.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 178.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 46.1 t -101.59 129.43 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 490' ' ' ILE . . . . . 0.463 HD12 ' CD2' ' A' ' 463' ' ' TYR . 48.0 mt -102.03 119.13 49.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.688 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 491' ' ' GLU . . . . . 0.454 ' HG3' HH22 ' A' ' 496' ' ' ARG . 66.7 tt0 -115.56 93.85 4.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.303 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 492' ' ' ASP . . . . . 0.79 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 69.7 m-20 -134.33 80.11 53.19 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.708 179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 493' ' ' PRO . . . . . 0.519 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 58.6 Cg_endo -74.1 38.96 0.5 Allowed 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.821 2.347 . . . . 0.0 112.176 -176.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 494' ' ' CYS . . . . . 0.706 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -98.52 -78.21 0.5 Allowed 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.049 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 495' ' ' PHE . . . . . 0.706 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 31.2 p90 -75.82 -54.83 6.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.881 0.372 . . . . 0.0 110.328 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 496' ' ' ARG . . . . . 0.79 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 21.5 ptt180 -49.77 -13.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.639 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 497' ' ' GLU . . . . . 0.451 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 58.7 tt0 -91.09 -58.14 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.545 -177.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -95.75 -45.02 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.471 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 499' ' ' TRP . . . . . 0.475 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 6.9 m95 -65.78 -3.54 5.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.477 -177.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 0.991 HG13 ' H ' ' A' ' 501' ' ' GLU . 6.0 p -50.03 -66.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.519 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.991 ' H ' HG13 ' A' ' 500' ' ' VAL . 21.4 pt-20 -48.15 -37.61 16.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.526 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 502' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -62.51 -43.69 98.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.571 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 503' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.0 m-85 -61.58 -39.9 92.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.66 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.846 HH21 ' H ' ' A' ' 546' ' ' LEU . 1.7 mpt_? -50.93 -36.79 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.774 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -74.98 -10.17 59.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.689 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 90.12 35.44 7.6 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 178.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -77.53 154.2 32.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.784 0.326 . . . . 0.0 110.58 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 536' ' ' LEU . 4.3 tt -139.39 155.93 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.452 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 509' ' ' GLN . . . . . 0.87 HE22 ' CG ' ' A' ' 535' ' ' ASN . 0.3 OUTLIER -131.62 122.69 26.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.69 178.021 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.816 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.46 114.19 23.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.383 -177.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 511' ' ' THR . . . . . 0.629 HG21 ' HB3' ' A' ' 517' ' ' ALA . 0.4 OUTLIER -129.64 111.55 12.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.645 177.063 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 61.7 m -62.78 -58.23 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.51 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 515' ' ' PHE . 38.7 t0 -106.61 99.9 9.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.585 -178.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.653 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 43.6 pt -54.33 -11.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.347 -178.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 515' ' ' PHE . . . . . 0.422 ' H ' ' C ' ' A' ' 513' ' ' ASP . 16.9 m-85 -74.23 -12.91 60.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.436 -177.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -100.23 -13.67 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 517' ' ' ALA . . . . . 0.629 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -130.83 115.99 17.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.515 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 518' ' ' GLY . . . . . 0.691 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 102.64 43.96 1.89 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 519' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 519' ' ' LEU . 13.4 mt -59.99 34.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.728 0.299 . . . . 0.0 110.676 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.857 HG22 ' H ' ' A' ' 521' ' ' GLU . 40.7 m -75.95 179.6 5.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.54 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.857 ' H ' HG22 ' A' ' 520' ' ' THR . 7.2 pt-20 -104.04 -48.69 3.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.37 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 522' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 13.7 p -72.29 -44.15 63.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.222 -177.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.609 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 2.4 t60 -58.77 -55.38 35.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.393 -177.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 520' ' ' THR . 38.8 mt -52.17 -46.0 65.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.495 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -72.53 -9.69 58.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.79 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -90.86 -28.81 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.619 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 527' ' ' LEU . 9.2 mp -96.85 -20.12 18.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.589 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 2.8 ttt180 -54.34 -45.42 99.28 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.69 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 12.4 Cg_exo -69.12 -29.21 27.31 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.8 2.333 . . . . 0.0 112.076 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.441 ' O ' ' NH1' ' A' ' 459' ' ' ARG . 35.4 mt -85.28 -13.02 51.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.51 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? 65.2 23.62 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.465 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 13.7 t -70.58 114.56 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.522 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 533' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 60.7 mtp180 -123.78 73.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.588 178.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.653 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 172.08 -169.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.19 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 535' ' ' ASN . . . . . 0.87 ' CG ' HE22 ' A' ' 509' ' ' GLN . 19.6 t-20 -172.86 101.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 111.032 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 536' ' ' LEU . . . . . 0.503 HD11 HD11 ' A' ' 508' ' ' ILE . 61.5 tp -136.73 112.37 9.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.125 177.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 537' ' ' VAL . 35.1 m -117.17 120.16 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.976 0.417 . . . . 0.0 111.163 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.676 ' O ' HD12 ' A' ' 549' ' ' LEU . 2.1 t -115.91 109.6 44.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.998 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -62.83 133.28 41.02 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.799 2.332 . . . . 0.0 112.33 -174.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.445 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 70.8 mmm -125.46 102.35 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.207 176.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 541' ' ' VAL . 3.6 m -117.48 123.02 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.979 -176.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 542' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 545' ' ' GLN . 75.3 mt -105.7 141.88 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.913 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 45.27 41.07 5.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 61.81 26.52 16.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.477 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 545' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 542' ' ' ILE . 62.3 tt0 -127.47 132.81 49.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.589 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 546' ' ' LEU . . . . . 0.846 ' H ' HH21 ' A' ' 504' ' ' ARG . 18.3 tp -68.43 92.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.525 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 465' ' ' PHE . 0.0 OUTLIER -81.89 -41.15 21.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.583 -177.557 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 548' ' ' GLY . . . . . 0.446 ' N ' ' CD2' ' A' ' 547' ' ' PHE . . . -162.59 -179.48 37.21 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -177.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 538' ' ' VAL . 14.5 tp -147.62 139.07 23.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.773 0.32 . . . . 0.0 110.353 -178.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 549' ' ' LEU . 21.7 tp -103.23 110.25 22.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.472 ' CG2' HG12 ' A' ' 537' ' ' VAL . 0.2 OUTLIER -115.78 132.03 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 -178.776 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 552' ' ' ALA . . . . . 0.485 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -122.26 147.94 45.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.534 ' O ' ' O ' ' A' ' 459' ' ' ARG . 1.2 m80 -151.99 149.15 28.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.47 ' OE1' ' NH1' ' A' ' 559' ' ' ARG . 2.8 mp0 -94.55 108.98 20.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.729 177.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.92 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.319 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 556' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 557' ' ' GLU . 93.4 p -67.82 -72.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.268 -178.098 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.454 ' N ' ' OG ' ' A' ' 556' ' ' SER . 41.8 mt-10 -146.49 159.42 44.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.479 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -46.31 162.44 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.946 2.431 . . . . 0.0 112.038 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.614 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 23.4 ttt-85 -159.13 153.08 23.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.692 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 560' ' ' GLN . . . . . 0.402 ' N ' ' CG ' ' A' ' 559' ' ' ARG . 64.9 tp60 -111.83 109.78 19.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.516 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.816 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.1 OUTLIER -80.53 117.49 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.7 178.061 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -68.77 161.23 28.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.37 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -58.38 -34.98 71.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.472 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 564' ' ' ILE . . . . . 0.506 HG22 ' NE2' ' A' ' 568' ' ' GLN . 37.1 mm -63.9 -38.78 83.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.465 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.15 -33.08 74.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.498 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.37 -45.74 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.587 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -52.53 -48.2 66.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.579 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.597 ' OE1' ' N ' ' A' ' 568' ' ' GLN . 0.5 OUTLIER -61.71 -40.12 93.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.291 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.613 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.4 m-85 -57.48 -42.48 82.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.371 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 11.2 t -59.92 -51.34 70.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.374 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -63.19 -42.35 99.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.365 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 16.4 tp -62.27 -52.5 63.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.489 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.445 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -64.25 -42.16 96.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.623 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.7 p -56.05 -32.62 64.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.571 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.0 m -59.08 -43.37 91.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.762 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.27 -46.06 87.08 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 1.5 t -50.2 -43.45 52.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.729 0.3 . . . . 0.0 110.712 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -56.25 -42.2 77.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.67 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.55 -179.175 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 440' ' ' ARG . . . . . 0.475 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 4.6 ptp180 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.793 0.33 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' GLN . . . . . 0.519 ' OE1' ' NH2' ' A' ' 486' ' ' ARG . 61.4 tp60 -68.74 -29.34 67.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.708 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.17 -58.01 4.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.61 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' ILE . . . . . 0.567 HG21 HG11 ' A' ' 579' ' ' VAL . 13.8 pt -45.19 -38.43 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 444' ' ' PHE . . . . . 0.41 ' N ' HG13 ' A' ' 443' ' ' ILE . 31.1 m-85 -61.18 -46.44 90.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.011 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 445' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 77.6 mm-40 -52.27 -37.9 56.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.02 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 97.1 m -60.33 -46.25 90.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.999 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.558 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.7 mt -62.04 -53.82 50.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.644 HG22 HG21 ' A' ' 462' ' ' VAL . 2.4 t -68.37 -38.25 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.148 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -62.43 -45.91 90.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.821 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -70.91 -43.1 68.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.827 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -51.53 -50.49 41.85 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 452' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 9.4 ptm180 -77.97 -30.63 50.36 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.071 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -77.89 -55.76 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.738 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 39.7 mt -65.76 -41.41 92.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.682 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 11.9 mt -89.86 -13.22 36.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.803 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 456' ' ' ALA . . . . . 0.452 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 58.99 55.33 4.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.339 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 76.0 m -95.12 154.78 17.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.741 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -77.7 -51.59 10.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.493 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 553' ' ' HIS . 21.8 ttt180 -139.06 140.24 38.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 19.7 m -145.82 133.04 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.515 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 25.3 mt -114.9 137.53 48.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.829 -178.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.644 HG21 HG22 ' A' ' 448' ' ' VAL . 2.6 t -135.71 126.23 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.466 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.496 ' CD2' HD12 ' A' ' 490' ' ' ILE . 27.0 p90 -140.65 145.35 36.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.609 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -85.39 146.55 26.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.411 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 465' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 547' ' ' PHE . 1.9 m-85 -82.18 147.36 29.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -111.85 -172.18 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.549 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 467' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 58.8 p30 -81.65 -12.48 58.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 468' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 467' ' ' ASP . 83.4 m-20 -104.75 28.07 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.497 -179.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 469' ' ' TYR . . . . . 0.424 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 7.4 m-85 54.61 19.71 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.394 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 39.1 t -109.48 129.13 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.572 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.444 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -79.53 173.35 55.17 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -177.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 68.8 m -147.39 107.1 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 473' ' ' VAL . . . . . 0.41 ' HB ' ' H ' ' A' ' 488' ' ' GLN . 21.4 t -66.64 92.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.737 -178.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.512 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 15.0 p -89.26 -21.81 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.362 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 475' ' ' ALA . . . . . 0.519 ' HB2' ' NE2' ' A' ' 441' ' ' GLN . . . -153.75 137.57 16.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.431 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -154.93 152.96 30.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.704 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 57.7 m -139.97 127.99 22.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.633 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.14 142.32 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.591 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.721 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -58.16 172.83 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.684 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -75.49 126.13 30.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.442 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 113.83 -12.8 22.53 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 482' ' ' TRP . . . . . 0.721 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 48.5 m95 -99.8 167.9 10.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.811 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -85.52 127.85 3.34 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 123.046 2.497 . . . . 0.0 111.887 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -90.54 147.44 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.694 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -113.87 -105.03 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.656 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.519 ' NH2' ' OE1' ' A' ' 441' ' ' GLN . 0.0 OUTLIER 67.27 124.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.671 -178.366 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 487' ' ' ASP . . . . . 0.418 ' N ' ' HD3' ' A' ' 486' ' ' ARG . 18.0 t0 73.78 18.35 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.575 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.41 ' H ' ' HB ' ' A' ' 473' ' ' VAL . 80.2 mt-30 -102.55 149.46 24.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.553 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 489' ' ' VAL . 7.8 p -105.13 128.77 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 490' ' ' ILE . . . . . 0.496 HD12 ' CD2' ' A' ' 463' ' ' TYR . 70.1 mt -104.01 119.38 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.708 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 491' ' ' GLU . . . . . 0.451 ' HA ' HH12 ' A' ' 496' ' ' ARG . 87.4 mt-10 -111.5 95.1 5.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.324 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 492' ' ' ASP . . . . . 0.679 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 0.3 OUTLIER -130.8 75.42 78.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 179.192 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 493' ' ' PRO . . . . . 0.548 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 46.2 Cg_endo -70.16 32.51 0.2 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.758 2.305 . . . . 0.0 112.174 -178.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 494' ' ' CYS . . . . . 0.769 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -92.78 -77.83 0.43 Allowed 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.89 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 495' ' ' PHE . . . . . 0.769 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 24.9 p90 -76.66 -50.84 12.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 0.0 110.343 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 496' ' ' ARG . . . . . 0.679 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 26.6 ptt180 -52.93 -14.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.655 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 497' ' ' GLU . . . . . 0.454 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 74.4 tt0 -89.89 -58.89 2.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.563 -178.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 498' ' ' HIS . . . . . 0.47 ' C ' ' H ' ' A' ' 500' ' ' VAL . 3.4 m80 -92.66 -42.81 9.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.453 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 499' ' ' TRP . . . . . 0.459 ' N ' ' O ' ' A' ' 495' ' ' PHE . 12.7 m95 -75.51 22.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 -178.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 1.032 HG13 ' H ' ' A' ' 501' ' ' GLU . 4.1 p -71.47 -69.38 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 1.032 ' H ' HG13 ' A' ' 500' ' ' VAL . 20.4 mt-10 -47.7 -38.26 14.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -59.02 -44.16 91.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 503' ' ' TYR . . . . . 0.452 ' OH ' HG21 ' A' ' 537' ' ' VAL . 3.8 m-85 -62.43 -40.66 97.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.603 HH21 ' CB ' ' A' ' 546' ' ' LEU . 15.3 mmt85 -49.25 -35.47 17.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -77.52 -8.77 58.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 89.11 35.62 8.05 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -78.39 155.46 29.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.628 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.441 HD13 HG21 ' A' ' 566' ' ' ILE . 4.8 pt -137.64 157.32 33.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.439 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 509' ' ' GLN . . . . . 0.634 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 12.5 tm0? -134.25 119.57 18.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.638 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.76 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -112.59 113.53 25.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.361 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 511' ' ' THR . . . . . 0.634 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.0 OUTLIER -128.04 106.03 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.645 178.017 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 64.4 m -61.91 -62.04 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.494 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.9 t0 -102.89 96.71 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.541 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 43.9 pt -51.85 -10.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.309 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 515' ' ' PHE . . . . . 0.473 ' H ' ' C ' ' A' ' 513' ' ' ASP . 23.3 m-85 -78.58 3.12 17.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.483 -178.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 516' ' ' LYS . . . . . 0.57 ' HE3' HG22 ' A' ' 511' ' ' THR . 11.7 pttp -115.58 -13.56 11.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.633 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 517' ' ' ALA . . . . . 0.603 ' CB ' HG21 ' A' ' 511' ' ' THR . . . -130.03 114.53 15.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.586 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 518' ' ' GLY . . . . . 0.685 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 100.17 44.84 2.13 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 178.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 519' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 519' ' ' LEU . 10.1 mt -59.34 35.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 0.0 110.608 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.918 HG22 ' H ' ' A' ' 521' ' ' GLU . 2.4 m -76.84 -172.63 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.494 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.918 ' H ' HG22 ' A' ' 520' ' ' THR . 21.2 pt-20 -112.6 -43.35 3.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.352 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 522' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 521' ' ' GLU . 49.8 t -70.51 -40.3 73.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.213 -178.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -61.02 -54.32 46.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.422 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' A' ' 524' ' ' LEU . 14.1 mt -51.68 -46.37 63.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.434 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -72.81 -8.34 55.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.743 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -92.45 -30.33 15.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.592 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 527' ' ' LEU . 10.9 mp -98.36 -29.2 13.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.582 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.544 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 7.7 mtp180 -41.39 -59.06 2.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.649 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 18.2 Cg_endo -60.91 -24.56 79.62 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.792 2.328 . . . . 0.0 112.074 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 26.5 mt -86.23 -11.56 52.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.522 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 531' ' ' LYS . 0.0 OUTLIER 54.12 27.59 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.55 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 5.9 t -76.09 124.66 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 533' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 27.9 mtp85 -124.57 73.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 178.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.541 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.25 -174.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.251 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 535' ' ' ASN . . . . . 0.45 ' ND2' ' OE1' ' A' ' 509' ' ' GLN . 42.7 t-20 -177.31 100.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.03 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 28.8 tp -132.26 118.49 19.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.118 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 537' ' ' VAL . 34.9 m -116.8 122.89 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.193 -178.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.641 ' O ' HD12 ' A' ' 549' ' ' LEU . 73.5 t -120.43 111.39 34.98 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.947 178.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.31 133.1 33.73 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.778 2.319 . . . . 0.0 112.321 -173.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 66.4 mmm -117.45 109.18 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.262 175.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.1 t -118.88 124.92 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.961 0.41 . . . . 0.0 110.956 -175.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 542' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 545' ' ' GLN . 88.0 mt -113.27 139.68 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.845 177.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 44.98 35.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.056 0.455 . . . . 0.0 109.811 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 544' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 0.9 OUTLIER 68.96 25.37 6.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.445 179.33 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 545' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 542' ' ' ILE . 65.1 tt0 -127.58 136.33 51.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 546' ' ' LEU . . . . . 0.603 ' CB ' HH21 ' A' ' 504' ' ' ARG . 14.9 tp -72.8 93.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.543 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -86.54 -37.97 17.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.58 -176.791 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 548' ' ' GLY . . . . . 0.577 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -157.03 -178.94 31.58 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.641 HD12 ' O ' ' A' ' 538' ' ' VAL . 15.4 tp -153.3 138.23 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.704 0.288 . . . . 0.0 110.354 -178.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.592 ' H ' HD12 ' A' ' 549' ' ' LEU . 22.9 tp -105.13 116.88 32.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.678 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.532 HG22 ' NE2' ' A' ' 553' ' ' HIS . 5.0 mt -121.39 132.38 70.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.555 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.94 146.66 36.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.634 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.537 ' O ' ' O ' ' A' ' 459' ' ' ARG . 34.1 m80 -142.99 135.65 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -96.96 103.04 14.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.799 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.491 ' HB1' ' CZ3' ' A' ' 482' ' ' TRP . . . -66.56 -38.33 86.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.307 -177.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 33.4 t -60.38 -72.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.325 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.13 161.7 29.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.536 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 558' ' ' PRO . . . . . 0.517 ' HD3' ' HE ' ' A' ' 533' ' ' ARG . 5.4 Cg_endo -46.13 157.92 0.36 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.888 2.392 . . . . 0.0 112.024 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.568 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 43.1 ttt85 -155.02 150.47 27.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.52 109.42 19.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.449 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.76 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.2 OUTLIER -82.1 118.56 23.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.763 178.209 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -70.78 160.97 31.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.323 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 563' ' ' GLU . . . . . 0.424 ' HG2' ' H ' ' A' ' 563' ' ' GLU . 6.2 pt-20 -57.13 -33.35 67.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.466 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 22.0 mm -63.48 -39.74 86.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.436 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.576 ' N ' ' OE1' ' A' ' 565' ' ' GLU . 3.1 mp0 -62.11 -32.34 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.609 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.441 HG21 HD13 ' A' ' 508' ' ' ILE . 20.4 mm -67.62 -44.87 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 177.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -53.76 -49.37 68.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.565 177.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -59.54 -41.4 89.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.626 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 6.2 m-85 -58.28 -42.28 86.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.438 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 60.0 p -60.19 -53.35 58.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.417 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' A' ' 575' ' ' THR . 79.1 mm-40 -62.34 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.355 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 39.4 tp -63.3 -53.93 45.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.52 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.407 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -65.57 -44.02 88.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.533 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.3 p -58.12 -31.92 67.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 575' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 571' ' ' GLU . 49.0 m -56.72 -49.01 76.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.729 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -54.27 -44.41 75.42 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -41.01 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.649 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.38 -42.6 87.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.612 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.567 HG11 HG21 ' A' ' 443' ' ' ILE . 46.8 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.639 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 440' ' ' ARG . . . . . 0.476 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 2.2 ptp180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.747 0.308 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 441' ' ' GLN . . . . . 0.559 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 34.5 tp60 -68.9 -29.41 67.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.64 -177.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.39 -57.57 5.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' ILE . . . . . 0.616 HG21 HG11 ' A' ' 579' ' ' VAL . 15.7 pt -45.43 -36.49 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.712 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 444' ' ' PHE . . . . . 0.462 ' O ' HG23 ' A' ' 448' ' ' VAL . 36.1 m-85 -64.75 -45.19 87.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 45.1 tp10 -51.74 -37.63 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.025 -178.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 446' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 443' ' ' ILE . 69.5 p -61.61 -47.18 86.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.05 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.5 ' N ' HD23 ' A' ' 447' ' ' LEU . 4.5 mt -57.78 -52.26 66.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 179.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.582 HG22 HG21 ' A' ' 462' ' ' VAL . 1.4 t -70.88 -35.89 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.17 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -66.63 -48.2 70.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.879 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -71.86 -43.16 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -51.84 -48.98 49.75 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -78.76 -30.07 45.46 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.059 -178.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -78.31 -59.59 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.65 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.78 -41.45 97.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.754 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.585 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.3 mt -89.88 -10.75 44.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.719 -178.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 58.5 54.97 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.426 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 4.8 t -94.24 156.4 16.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.66 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -80.86 -50.36 9.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.446 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 553' ' ' HIS . 25.0 ttt180 -142.04 136.52 30.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.596 -178.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.58 131.47 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.455 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.99 141.58 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.774 -176.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.582 HG21 HG22 ' A' ' 448' ' ' VAL . 2.3 t -133.58 130.12 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.419 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 18.6 p90 -137.37 159.23 42.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.717 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -101.6 142.23 33.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.437 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 465' ' ' PHE . . . . . 0.443 ' CE2' HD21 ' A' ' 546' ' ' LEU . 1.5 m-85 -80.59 144.27 32.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.626 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -111.61 -171.07 1.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.483 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -81.26 -15.42 55.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.421 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 468' ' ' ASN . . . . . 0.645 ' O ' HG23 ' A' ' 470' ' ' VAL . 83.0 m-20 -102.48 27.12 7.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.557 -178.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 469' ' ' TYR . . . . . 0.488 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.6 m-85 55.24 20.27 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.358 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 470' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 468' ' ' ASN . 65.8 t -107.11 126.77 63.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.608 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.431 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -77.72 173.97 54.91 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -177.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 472' ' ' THR . . . . . 0.428 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 70.5 m -147.26 106.3 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.593 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.19 83.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.688 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.559 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 33.4 m -78.15 -20.81 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 475' ' ' ALA . . . . . 0.544 ' HB2' ' NE2' ' A' ' 441' ' ' GLN . . . -154.82 142.71 20.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.378 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -158.56 154.18 26.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.68 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 40.4 m -138.87 128.74 25.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.533 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.52 142.74 37.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.588 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.723 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -59.01 171.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.77 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -73.99 126.26 30.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.482 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 113.03 -11.48 24.69 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 482' ' ' TRP . . . . . 0.723 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 43.8 m95 -100.87 168.05 9.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 178.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -86.44 127.9 2.91 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.027 2.485 . . . . 0.0 111.911 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -89.49 147.4 24.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.728 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -111.11 -108.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.631 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.54 ' NH2' ' OE1' ' A' ' 441' ' ' GLN . 0.0 OUTLIER 68.63 122.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.723 -178.439 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 487' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 10.1 t0 79.07 14.56 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -102.85 145.82 29.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 489' ' ' VAL . 33.0 m -104.48 130.58 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.641 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 79.4 mt -99.88 117.08 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.715 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -110.57 92.21 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.274 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 492' ' ' ASP . . . . . 0.661 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 7.1 m-20 -128.82 75.86 79.57 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.731 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 493' ' ' PRO . . . . . 0.506 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 37.5 Cg_endo -67.13 30.32 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.708 2.272 . . . . 0.0 112.206 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 494' ' ' CYS . . . . . 0.759 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -92.82 -80.6 0.37 Allowed 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.074 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 495' ' ' PHE . . . . . 0.759 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 19.7 p90 -75.3 -52.58 10.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.361 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 496' ' ' ARG . . . . . 0.661 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 21.2 ptt180 -51.07 -13.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.628 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 497' ' ' GLU . . . . . 0.468 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 65.0 tt0 -90.89 -58.0 2.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.575 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 498' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 494' ' ' CYS . 2.1 m80 -94.19 -41.31 9.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.492 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 499' ' ' TRP . . . . . 0.462 ' N ' ' O ' ' A' ' 495' ' ' PHE . 9.8 m95 -74.42 14.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.485 -177.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 1.024 HG13 ' H ' ' A' ' 501' ' ' GLU . 3.6 p -65.13 -69.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.517 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 1.024 ' H ' HG13 ' A' ' 500' ' ' VAL . 86.6 tt0 -48.1 -37.94 16.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -58.32 -44.94 88.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.557 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 503' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 506' ' ' GLY . 3.7 m-85 -61.69 -40.43 94.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.569 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.63 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.4 mmt85 -50.24 -35.32 26.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 178.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -76.86 -9.39 58.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.661 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 506' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 89.11 35.41 8.16 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -77.44 156.58 31.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.617 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 566' ' ' ILE . 4.7 pt -137.48 155.29 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.45 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 509' ' ' GLN . . . . . 0.568 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 0.9 OUTLIER -129.97 120.22 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.678 177.514 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.813 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.83 114.25 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.337 -178.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 511' ' ' THR . . . . . 0.712 HG21 ' HB3' ' A' ' 517' ' ' ALA . 0.2 OUTLIER -128.76 109.38 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.708 177.338 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 99.6 m -62.19 -56.86 14.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.51 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' A' ' 515' ' ' PHE . 42.9 t0 -110.68 99.85 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.607 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.552 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 35.2 pt -52.12 -9.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.356 -177.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 515' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' A' ' 513' ' ' ASP . 24.2 m-85 -82.05 5.97 17.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.401 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -116.98 -16.88 10.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.654 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 517' ' ' ALA . . . . . 0.712 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -131.25 115.42 16.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 518' ' ' GLY . . . . . 0.718 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 105.02 44.86 1.44 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.43 33.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.66 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.718 ' H ' ' C ' ' A' ' 518' ' ' GLY . 28.0 p -75.92 -173.56 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.456 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -112.51 -62.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.357 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 522' ' ' CYS . . . . . . . . . . . . . 41.9 t -55.48 -34.69 64.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.257 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -63.49 -54.4 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.448 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 11.9 mt -51.2 -46.78 62.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.555 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -71.94 -9.73 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.749 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -91.82 -29.65 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.625 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 527' ' ' LEU . 11.0 mp -95.27 -30.14 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.641 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.569 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 0.0 OUTLIER -43.31 -57.46 5.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.649 -179.729 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 20.7 Cg_endo -61.39 -26.23 81.11 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.804 2.336 . . . . 0.0 112.067 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 21.3 mt -87.62 -11.44 48.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.536 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 531' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 531' ' ' LYS . 3.4 ttmm 54.36 28.47 9.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 10.0 t -75.36 124.83 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.58 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 533' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 77.5 mtt-85 -127.57 74.95 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.54 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.552 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 170.85 -171.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.225 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.57 99.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.09 178.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 536' ' ' LEU . . . . . 0.69 HD13 ' CD1' ' A' ' 561' ' ' TRP . 14.7 tp -132.59 111.61 11.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.16 177.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 537' ' ' VAL . 27.3 m -121.32 120.09 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.181 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.64 ' O ' HG13 ' A' ' 538' ' ' VAL . 14.5 p -117.68 114.73 37.65 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.034 177.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.22 135.15 49.02 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.813 2.342 . . . . 0.0 112.298 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.505 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 72.7 mmm -116.58 108.0 15.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.249 175.252 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 8.7 t -118.2 127.75 75.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.942 0.401 . . . . 0.0 110.942 -175.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 542' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 545' ' ' GLN . 96.7 mt -114.85 139.01 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.936 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 59.6 t0 44.44 32.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.081 0.467 . . . . 0.0 109.799 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 22.0 t0 73.04 26.3 2.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.484 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 545' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 542' ' ' ILE . 94.7 mt-30 -129.38 137.78 51.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.593 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 546' ' ' LEU . . . . . 0.63 ' CB ' HH21 ' A' ' 504' ' ' ARG . 13.3 tp -74.27 94.06 2.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.501 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.587 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -86.05 -39.42 16.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.483 -177.016 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 548' ' ' GLY . . . . . 0.587 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -154.51 -179.47 29.8 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -176.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 43.9 tp -152.29 135.71 15.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.351 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.536 ' CD1' HG22 ' A' ' 462' ' ' VAL . 25.6 tp -106.85 118.48 36.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.664 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.463 HG22 ' NE2' ' A' ' 553' ' ' HIS . 6.6 mt -123.44 134.94 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.582 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.1 142.68 41.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.463 ' NE2' HG22 ' A' ' 551' ' ' ILE . 31.2 m80 -137.86 138.31 38.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.677 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -90.28 112.82 24.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.734 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.522 ' O ' ' CH2' ' A' ' 482' ' ' TRP . . . -81.13 -11.13 59.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.267 -178.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 68.4 p -99.04 -73.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.305 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.71 158.46 49.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -47.68 158.64 0.68 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.879 2.386 . . . . 0.0 112.062 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.58 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 48.8 ttt85 -152.25 148.35 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -107.75 108.91 20.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.478 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.813 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.3 OUTLIER -84.95 122.66 29.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.717 179.203 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -73.01 159.76 33.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.378 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -57.1 -33.28 67.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.437 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.45 -37.98 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.473 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.95 -32.53 73.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.575 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.561 ' CD1' HD11 ' A' ' 536' ' ' LEU . 17.5 mm -67.14 -46.97 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.596 177.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -50.6 -47.81 57.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.528 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -60.66 -41.68 95.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.526 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.585 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 5.2 m-85 -57.83 -42.94 85.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.462 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 67.0 m -60.39 -52.08 66.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.304 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.432 ' O ' ' OG ' ' A' ' 574' ' ' SER . 96.1 mt-10 -63.5 -42.9 98.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.354 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 572' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 575' ' ' THR . 44.5 tp -61.43 -54.21 46.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.491 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.505 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -63.9 -40.39 96.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 574' ' ' SER . . . . . 0.589 ' O ' ' OG ' ' A' ' 577' ' ' SER . 93.9 p -55.32 -37.48 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.647 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 575' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 572' ' ' LEU . 0.7 OUTLIER -53.43 -40.21 64.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.674 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 576' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 575' ' ' THR . . . -62.49 -47.48 89.08 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 577' ' ' SER . . . . . 0.589 ' OG ' ' O ' ' A' ' 574' ' ' SER . 0.1 OUTLIER -51.89 -41.09 61.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.732 0.301 . . . . 0.0 110.691 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 578' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 574' ' ' SER . 10.7 mt -54.75 -43.41 72.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.621 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.616 HG11 HG21 ' A' ' 443' ' ' ILE . 61.2 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.596 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 440' ' ' ARG . . . . . 0.487 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 3.9 ptp180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.755 0.312 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' GLN . . . . . 0.597 ' NE2' ' HB2' ' A' ' 475' ' ' ALA . 67.9 tp60 -68.38 -29.85 68.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.65 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -67.09 -56.31 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.627 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 443' ' ' ILE . . . . . 0.586 HG21 HG11 ' A' ' 579' ' ' VAL . 13.7 pt -48.66 -39.42 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.746 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 444' ' ' PHE . . . . . 0.43 ' N ' HG13 ' A' ' 443' ' ' ILE . 30.7 m-85 -60.26 -48.91 79.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 445' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 97.9 mt-10 -51.61 -37.37 49.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 61.3 m -60.49 -44.69 95.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.013 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.547 ' N ' HD23 ' A' ' 447' ' ' LEU . 3.4 mt -61.99 -53.73 51.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.151 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.659 HG22 HG21 ' A' ' 462' ' ' VAL . 1.6 t -69.31 -39.19 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.14 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -66.91 -47.15 72.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.779 -178.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -71.37 -43.36 67.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.872 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' GLY . . . . . 0.434 ' O ' ' HG ' ' A' ' 455' ' ' LEU . . . -53.14 -46.91 61.8 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 452' ' ' ARG . . . . . 0.418 HH11 ' HB3' ' A' ' 452' ' ' ARG . 4.6 ptm85 -78.94 -26.39 43.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.734 0.302 . . . . 0.0 111.074 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -74.5 -57.06 4.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.696 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.35 -44.48 71.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.718 -177.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.593 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.6 mt -81.68 -16.69 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.745 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 456' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 60.28 54.4 3.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.382 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 19.3 t -92.21 161.12 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.662 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -86.35 -50.95 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.447 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 553' ' ' HIS . 42.8 ttt180 -142.34 139.46 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 -178.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.23 135.83 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.496 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 16.0 mt -114.88 137.8 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.918 0.389 . . . . 0.0 110.785 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.659 HG21 HG22 ' A' ' 448' ' ' VAL . 2.9 t -133.15 122.82 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.427 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 463' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 26.6 p90 -140.63 141.39 35.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.711 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -82.34 148.59 28.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.395 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 465' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.3 m-85 -82.06 149.35 28.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.666 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 466' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 42.4 t0 -110.68 -173.99 2.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.534 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 467' ' ' ASP . . . . . 0.511 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 85.5 m-20 -80.17 -14.89 58.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.482 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 468' ' ' ASN . . . . . 0.423 ' O ' HG23 ' A' ' 470' ' ' VAL . 94.3 m-20 -104.35 29.33 6.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.449 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 469' ' ' TYR . . . . . 0.562 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 40.7 m-85 55.79 18.26 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.445 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 470' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 468' ' ' ASN . 54.3 t -108.96 129.92 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.603 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.407 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -82.87 174.32 52.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 -177.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 90.0 m -148.05 109.26 4.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 0.0 110.575 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 473' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 488' ' ' GLN . 48.6 t -68.01 95.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.697 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 8.8 p -91.86 -21.92 6.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.421 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 475' ' ' ALA . . . . . 0.597 ' HB2' ' NE2' ' A' ' 441' ' ' GLN . . . -153.68 138.4 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.434 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -155.63 151.29 27.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.668 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 18.7 m -136.21 124.65 23.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.11 143.46 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 -178.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.608 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -60.4 171.24 1.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.757 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -73.2 127.85 33.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.467 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.8 -9.63 25.57 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 482' ' ' TRP . . . . . 0.608 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 32.6 m95 -105.03 167.96 9.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.923 0.392 . . . . 0.0 110.822 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -84.8 129.85 4.15 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.033 2.489 . . . . 0.0 111.912 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -97.69 147.53 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.78 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -114.47 -96.17 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.607 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.555 HH21 ' CD ' ' A' ' 441' ' ' GLN . 0.0 OUTLIER 67.08 31.91 6.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.697 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 487' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 487' ' ' ASP . 1.0 OUTLIER 168.0 22.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.521 179.107 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.468 ' O ' HG23 ' A' ' 473' ' ' VAL . 85.2 mt-30 -104.31 144.52 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.551 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 6.0 p -105.41 134.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.62 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 80.3 mt -107.95 130.67 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.669 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 491' ' ' GLU . . . . . 0.448 ' HA ' HH12 ' A' ' 496' ' ' ARG . 94.1 mt-10 -124.55 94.87 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.333 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 492' ' ' ASP . . . . . 0.743 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 9.5 m-20 -131.52 81.77 63.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.681 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 493' ' ' PRO . . . . . 0.574 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 59.4 Cg_endo -73.96 36.65 0.41 Allowed 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.746 2.297 . . . . 0.0 112.162 -177.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 494' ' ' CYS . . . . . 0.663 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -96.86 -76.76 0.5 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.258 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 495' ' ' PHE . . . . . 0.663 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 35.2 p90 -76.44 -53.78 7.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.918 0.389 . . . . 0.0 110.31 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 496' ' ' ARG . . . . . 0.743 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 26.4 ptt180 -50.44 -13.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.633 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 497' ' ' GLU . . . . . 0.545 ' OE1' ' CD2' ' A' ' 498' ' ' HIS . 5.6 tm-20 -91.57 -57.87 2.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.514 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 498' ' ' HIS . . . . . 0.545 ' CD2' ' OE1' ' A' ' 497' ' ' GLU . 2.1 m80 -95.23 -43.73 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.442 -177.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 499' ' ' TRP . . . . . 0.402 ' N ' ' O ' ' A' ' 495' ' ' PHE . 10.9 m95 -70.56 5.18 1.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.539 -177.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 1.029 HG13 ' H ' ' A' ' 501' ' ' GLU . 5.2 p -56.73 -67.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 1.029 ' H ' HG13 ' A' ' 500' ' ' VAL . 86.2 tt0 -47.48 -41.16 20.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.579 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.18 88.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.484 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 503' ' ' TYR . . . . . 0.448 ' OH ' HG21 ' A' ' 537' ' ' VAL . 3.7 m-85 -61.97 -41.16 97.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.634 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.5 mmt85 -49.96 -33.96 19.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -78.32 -9.96 59.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.725 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 90.15 35.53 7.54 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -79.24 157.85 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.574 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.579 HD13 HG21 ' A' ' 566' ' ' ILE . 4.7 pt -139.64 158.78 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.477 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 509' ' ' GLN . . . . . 0.838 HE22 ' CG ' ' A' ' 535' ' ' ASN . 0.3 OUTLIER -132.24 123.36 26.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.665 177.359 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 510' ' ' ALA . . . . . 0.787 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.98 112.85 21.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.354 -177.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 511' ' ' THR . . . . . 0.55 HG21 ' CB ' ' A' ' 517' ' ' ALA . 0.2 OUTLIER -129.46 108.43 10.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.688 177.528 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 512' ' ' THR . . . . . 0.473 HG22 ' HB3' ' A' ' 558' ' ' PRO . 85.5 m -61.75 -61.93 2.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.473 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 513' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 515' ' ' PHE . 39.6 t0 -103.71 98.99 8.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.635 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.62 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 44.5 pt -54.4 -10.19 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.365 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 515' ' ' PHE . . . . . 0.443 ' H ' ' C ' ' A' ' 513' ' ' ASP . 16.2 m-85 -74.37 -13.57 60.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.448 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 516' ' ' LYS . . . . . 0.549 ' HE3' HG22 ' A' ' 511' ' ' THR . 10.8 pttp -100.38 -10.89 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.516 178.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 517' ' ' ALA . . . . . 0.55 ' CB ' HG21 ' A' ' 511' ' ' THR . . . -132.44 116.1 16.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.665 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 518' ' ' GLY . . . . . 0.727 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 102.65 44.48 1.8 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.31 32.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 110.667 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.727 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.2 OUTLIER -77.51 -175.58 3.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.598 ' H ' HG22 ' A' ' 520' ' ' THR . 18.6 pt-20 -108.69 -48.41 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.277 -178.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 522' ' ' CYS . . . . . 0.634 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 9.9 p -70.88 -44.75 65.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.243 -177.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.634 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 50.1 t60 -57.65 -54.35 47.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.419 -178.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.484 HD21 ' O ' ' A' ' 518' ' ' GLY . 23.7 mt -54.65 -46.54 73.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -73.04 -10.4 59.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.743 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -90.09 -29.83 18.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.589 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 527' ' ' LEU . 10.0 mp -98.35 -8.3 27.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 528' ' ' ARG . . . . . 0.585 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 3.6 ttp85 -65.2 -45.5 71.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.6 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 529' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 11.2 Cg_exo -70.53 -28.51 21.47 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.806 2.337 . . . . 0.0 112.091 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 36.3 mt -84.36 -13.92 50.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.506 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.6 tptm 67.1 21.81 10.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.521 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 19.1 t -70.06 114.89 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.594 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 533' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 35.1 mtp180 -125.14 74.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.62 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 173.11 -170.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.192 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 535' ' ' ASN . . . . . 0.838 ' CG ' HE22 ' A' ' 509' ' ' GLN . 16.2 t-20 -173.59 98.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.991 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 536' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 20.0 tp -136.99 113.58 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.069 177.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 537' ' ' VAL . 33.9 m -117.85 124.74 73.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.212 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.674 ' O ' HD12 ' A' ' 549' ' ' LEU . 97.3 t -119.73 113.12 34.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.025 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.75 133.91 35.76 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.798 2.332 . . . . 0.0 112.371 -174.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.544 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 71.7 mmm -116.82 112.43 21.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.207 175.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.4 t -120.6 124.55 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.959 -176.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 542' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.6 mt -113.57 139.96 36.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.89 177.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 44.16 34.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.019 0.437 . . . . 0.0 109.853 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 544' ' ' ASP . . . . . 0.529 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 0.5 OUTLIER 70.8 26.36 3.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.44 179.138 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 545' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 542' ' ' ILE . 91.3 mt-30 -129.51 138.39 51.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 546' ' ' LEU . . . . . 0.634 ' CB ' HH21 ' A' ' 504' ' ' ARG . 11.1 tp -74.47 94.03 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.529 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -86.64 -37.42 18.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.566 -177.558 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 548' ' ' GLY . . . . . 0.557 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -156.49 -177.62 29.82 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -176.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 538' ' ' VAL . 12.0 tp -154.42 137.79 15.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.308 . . . . 0.0 110.304 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.587 ' CD1' HG22 ' A' ' 462' ' ' VAL . 27.0 tp -105.73 117.77 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.694 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.618 HG22 ' NE2' ' A' ' 553' ' ' HIS . 2.1 mt -123.05 134.07 67.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 552' ' ' ALA . . . . . 0.449 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -119.71 147.21 44.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.58 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.618 ' NE2' HG22 ' A' ' 551' ' ' ILE . 1.0 OUTLIER -149.81 149.59 30.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.682 178.55 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.505 ' NE2' ' N ' ' A' ' 554' ' ' GLN . 2.6 mp0 -89.96 115.94 27.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.754 177.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -76.1 -13.3 60.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.336 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 16.9 t -95.21 -71.88 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.307 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -143.32 154.73 61.04 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.458 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 558' ' ' PRO . . . . . 0.473 ' HB3' HG22 ' A' ' 512' ' ' THR . 75.9 Cg_exo -43.69 164.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.949 2.433 . . . . 0.0 112.002 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.587 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 19.0 ttt-85 -160.67 152.94 20.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.725 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 560' ' ' GLN . . . . . 0.406 ' N ' ' CG ' ' A' ' 559' ' ' ARG . 51.5 tp60 -109.25 109.68 20.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.412 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 561' ' ' TRP . . . . . 0.787 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.1 OUTLIER -82.1 118.76 23.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.734 178.595 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -70.35 159.04 34.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.345 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -56.93 -35.56 69.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.64 -40.29 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.443 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.423 ' OE1' HD22 ' A' ' 455' ' ' LEU . 77.5 mm-40 -61.59 -32.73 72.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.55 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.579 HG21 HD13 ' A' ' 508' ' ' ILE . 25.8 mm -65.91 -47.44 85.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 177.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -51.46 -48.62 62.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -61.52 -40.78 95.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 569' ' ' PHE . . . . . 0.593 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 5.4 m-85 -57.33 -43.05 83.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.389 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 570' ' ' SER . . . . . 0.476 ' O ' ' OG ' ' A' ' 574' ' ' SER . 15.4 t -59.6 -50.63 73.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.377 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.01 -42.95 99.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.335 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.44 -54.8 38.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.481 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.544 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -66.3 -43.3 86.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.501 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 574' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 570' ' ' SER . 75.3 m -56.46 -34.76 67.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.642 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 41.4 m -55.58 -49.54 72.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.722 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -53.68 -44.23 69.1 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.5 -40.58 59.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.676 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.81 -44.28 94.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.662 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.586 HG11 HG21 ' A' ' 443' ' ' ILE . 40.0 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.638 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -126.19 149.15 49.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.59 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -81.63 5.3 18.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 47.5 t -100.15 125.4 53.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.544 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -83.94 151.03 25.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.634 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.75 -20.57 63.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 28.9 t -50.71 -26.27 5.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -64.17 -26.47 68.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.539 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 48.7 mt -118.24 139.76 50.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.612 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -90.46 156.75 17.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.632 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -72.97 122.27 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.456 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 1.4 ptp180 -60.68 -28.13 68.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 441' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 35.0 tp60 -69.46 -30.76 68.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.703 -177.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.0 -55.88 9.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.609 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' ILE . . . . . 0.487 HG21 HG11 ' A' ' 579' ' ' VAL . 17.9 pt -48.1 -37.65 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.725 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 444' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 29.4 m-85 -60.9 -45.75 93.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.997 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 82.8 tt0 -52.83 -36.61 58.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.045 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 97.5 m -60.31 -49.29 78.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.033 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.554 ' N ' HD23 ' A' ' 447' ' ' LEU . 2.3 mt -58.93 -51.57 69.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.645 HG22 HG21 ' A' ' 462' ' ' VAL . 2.5 t -70.93 -35.53 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.14 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -64.03 -45.86 87.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -71.6 -44.6 64.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.789 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -50.59 -48.92 41.64 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' ARG . . . . . 0.554 ' NH1' ' OG ' ' A' ' 477' ' ' SER . 22.2 ptt180 -77.67 -30.83 52.2 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.093 -178.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -78.13 -57.91 3.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.768 0.318 . . . . 0.0 110.775 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.36 -42.0 98.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.679 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.605 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.8 mt -89.82 -12.81 38.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.805 -178.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 58.32 54.78 5.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.4 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 75.2 m -94.1 158.37 15.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.627 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -80.84 -52.47 7.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.501 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.482 ' O ' ' O ' ' A' ' 553' ' ' HIS . 26.1 ttt180 -137.08 138.76 40.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.538 -178.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 15.2 m -145.49 130.98 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.436 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 16.4 tt -117.71 138.23 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.718 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.645 HG21 HG22 ' A' ' 448' ' ' VAL . 2.6 t -134.91 128.24 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.4 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.54 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 20.6 p90 -138.95 142.85 38.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.713 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -84.48 146.79 27.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.498 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 465' ' ' PHE . . . . . 0.466 ' CE2' HD21 ' A' ' 546' ' ' LEU . 1.8 m-85 -82.08 147.4 29.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.641 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -111.85 -170.74 1.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.502 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 467' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 53.2 p30 -81.44 -15.64 54.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.425 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 468' ' ' ASN . . . . . 0.687 ' O ' HG23 ' A' ' 470' ' ' VAL . 84.9 m-20 -102.77 28.39 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 469' ' ' TYR . . . . . 0.503 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 8.3 m-85 54.94 19.85 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.335 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 470' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 468' ' ' ASN . 59.2 t -108.49 128.23 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.627 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -79.56 176.11 54.8 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 472' ' ' THR . . . . . 0.411 ' N ' ' HB2' ' A' ' 463' ' ' TYR . 53.8 m -148.2 109.05 4.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.598 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 19.0 t -68.35 86.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.645 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.55 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 33.8 m -82.62 -22.63 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.361 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.25 134.35 17.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.381 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 476' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 485' ' ' ALA . 55.4 tt0 -146.04 146.3 30.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.652 178.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 477' ' ' SER . . . . . 0.554 ' OG ' ' NH1' ' A' ' 452' ' ' ARG . 8.5 t -134.66 119.44 18.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.589 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 478' ' ' VAL . . . . . 0.439 HG12 ' HG3' ' A' ' 459' ' ' ARG . 2.2 m -135.71 143.44 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.507 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.722 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -59.33 171.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.698 177.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -74.35 127.47 33.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.46 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.41 -13.04 25.77 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 482' ' ' TRP . . . . . 0.722 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 50.6 m95 -96.74 166.24 14.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 110.827 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -85.36 127.42 3.33 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.029 2.486 . . . . 0.0 111.902 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -94.69 148.12 22.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.657 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' ALA . . . . . 0.448 ' N ' ' OE1' ' A' ' 476' ' ' GLU . . . -114.63 -97.57 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.558 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 487' ' ' ASP . 0.0 OUTLIER 61.1 123.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.648 -178.333 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 487' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 10.5 t0 80.11 16.68 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.589 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -105.39 147.24 28.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 489' ' ' VAL . 33.9 m -102.66 128.44 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.417 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 8.9 mm -92.97 110.43 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.706 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 491' ' ' GLU . . . . . 0.408 ' HA ' HH12 ' A' ' 496' ' ' ARG . 95.8 mt-10 -107.95 93.43 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.29 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.736 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 0.2 OUTLIER -135.65 77.31 52.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 179.124 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 493' ' ' PRO . . . . . 0.563 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 53.6 Cg_endo -71.84 39.31 0.38 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.685 2.257 . . . . 0.0 112.197 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.756 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -98.9 -74.93 0.57 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.635 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 495' ' ' PHE . . . . . 0.756 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 35.0 p90 -77.49 -52.73 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.389 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.736 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 23.6 ptt180 -51.2 -13.16 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.598 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 497' ' ' GLU . . . . . 0.482 ' OE1' ' CD2' ' A' ' 498' ' ' HIS . 5.6 tm-20 -90.54 -58.24 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.538 -177.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 498' ' ' HIS . . . . . 0.482 ' CD2' ' OE1' ' A' ' 497' ' ' GLU . 4.9 m80 -96.56 -46.73 6.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.455 -177.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.516 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 7.4 m95 -63.93 -7.96 9.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -177.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 1.011 HG13 ' H ' ' A' ' 501' ' ' GLU . 5.9 p -46.58 -67.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.485 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 1.011 ' H ' HG13 ' A' ' 500' ' ' VAL . 22.3 pt-20 -47.53 -38.7 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.584 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -61.55 -43.6 98.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 503' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.5 m-85 -61.81 -41.11 97.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.667 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.578 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.4 mmt85 -50.1 -34.97 23.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.739 177.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -77.5 -10.15 59.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.701 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 91.08 35.65 7.01 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -78.52 154.56 30.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.773 0.32 . . . . 0.0 110.649 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.627 ' CD1' HD13 ' A' ' 566' ' ' ILE . 4.4 pt -137.4 156.94 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.461 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 509' ' ' GLN . . . . . 0.559 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 0.8 OUTLIER -130.36 119.41 22.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.638 177.802 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.822 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -115.81 113.8 23.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.378 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.723 HG21 ' HB3' ' A' ' 517' ' ' ALA . 0.3 OUTLIER -129.06 111.82 13.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.637 177.103 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 98.8 m -64.21 -57.32 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' A' ' 515' ' ' PHE . 40.0 t0 -107.98 98.98 8.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.562 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.602 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 44.9 pt -53.61 -10.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.415 -177.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 515' ' ' PHE . . . . . 0.446 ' H ' ' C ' ' A' ' 513' ' ' ASP . 17.6 m-85 -74.98 -10.8 59.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.469 -177.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -102.09 -15.83 16.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' ALA . . . . . 0.723 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -130.25 116.81 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.575 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 518' ' ' GLY . . . . . 0.695 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 108.06 44.17 1.22 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.01 30.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.704 0.287 . . . . 0.0 110.618 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.695 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.1 OUTLIER -77.37 -175.21 3.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.52 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.431 ' N ' ' OG1' ' A' ' 520' ' ' THR . 88.5 tt0 -103.86 -72.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.355 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 522' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 17.6 p -54.36 -37.18 64.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.179 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.456 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 53.1 t60 -56.61 -56.62 19.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.459 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.482 HD21 ' O ' ' A' ' 518' ' ' GLY . 24.0 mt -55.92 -44.99 78.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.481 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -71.07 -17.37 62.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.756 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -83.55 -31.45 26.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.646 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 527' ' ' LEU . 10.8 mp -93.25 -32.94 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.664 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.568 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 11.8 mtt85 -43.73 -58.95 3.93 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 11.9 Cg_endo -56.22 -26.31 60.38 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.804 2.336 . . . . 0.0 112.025 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 34.5 mt -90.24 -9.65 47.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.516 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 531' ' ' LYS . 1.1 ttmt 57.21 26.77 12.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.94 120.2 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.643 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' ARG . . . . . 0.526 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 74.9 mtt-85 -125.38 74.44 1.39 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.942 0.401 . . . . 0.0 110.622 178.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.602 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.44 -171.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.297 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 535' ' ' ASN . . . . . 0.459 ' OD1' ' NE2' ' A' ' 509' ' ' GLN . 0.4 OUTLIER -174.32 100.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.077 179.219 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 536' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 561' ' ' TRP . 58.2 tp -133.68 113.27 12.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.17 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 537' ' ' VAL . 30.9 m -116.52 120.07 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.258 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.65 ' O ' HD12 ' A' ' 549' ' ' LEU . 2.2 t -115.87 111.48 43.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.955 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.76 131.86 30.72 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.792 2.328 . . . . 0.0 112.334 -175.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.652 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 78.0 mmm -116.72 111.93 20.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.154 176.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.01 120.55 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 0.0 110.979 -175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.0 mt -109.83 139.76 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.873 177.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 57.0 t0 44.22 33.47 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.076 0.465 . . . . 0.0 109.878 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 20.9 t0 71.6 25.73 3.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.443 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 542' ' ' ILE . 89.6 mt-30 -128.85 135.91 49.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.579 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' LEU . . . . . 0.578 ' CB ' HH21 ' A' ' 504' ' ' ARG . 14.0 tp -71.29 93.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.628 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.489 ' CE2' ' CD2' ' A' ' 580' ' ' LEU . 0.0 OUTLIER -84.47 -36.84 22.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.538 -176.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 548' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 540' ' ' MET . . . -159.45 -178.27 33.29 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -176.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 538' ' ' VAL . 18.3 tp -152.86 134.55 14.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.672 0.272 . . . . 0.0 110.391 -178.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 549' ' ' LEU . 24.8 tp -100.95 116.52 33.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.621 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.604 HG22 ' NE2' ' A' ' 553' ' ' HIS . 5.1 mt -120.48 130.68 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.531 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -112.46 143.75 43.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.604 ' NE2' HG22 ' A' ' 551' ' ' ILE . 33.4 m80 -140.37 136.68 33.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.701 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.624 ' NE2' ' NH1' ' A' ' 559' ' ' ARG . 23.1 mp0 -93.65 102.15 14.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.79 85.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.34 -177.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 557' ' ' GLU . 89.6 p -63.79 -73.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.275 -177.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.438 ' N ' ' OG ' ' A' ' 556' ' ' SER . 0.3 OUTLIER -149.65 161.92 30.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.476 -178.776 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -46.34 157.04 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.914 2.409 . . . . 0.0 112.002 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.649 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 22.7 ttt-85 -154.66 153.26 31.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.636 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -113.06 111.48 22.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.479 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.822 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.0 OUTLIER -81.55 116.04 21.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.75 178.184 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -67.32 161.21 25.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.353 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.28 -35.17 69.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.384 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.25 -37.8 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.471 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.11 -33.85 76.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.495 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.627 HD13 ' CD1' ' A' ' 508' ' ' ILE . 90.6 mt -67.88 -44.77 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.587 177.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -52.55 -48.36 66.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.514 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -60.24 -41.57 93.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.605 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 6.2 m-85 -57.43 -42.55 82.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.361 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 570' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 574' ' ' SER . 20.0 t -59.75 -50.71 72.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.358 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 575' ' ' THR . 96.0 mt-10 -65.87 -42.64 90.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.304 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 572' ' ' LEU . . . . . 0.594 ' O ' ' OG1' ' A' ' 575' ' ' THR . 7.9 tp -61.89 -51.3 68.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.542 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.652 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -68.95 -41.3 78.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.537 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 574' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 570' ' ' SER . 19.8 t -55.87 -43.13 76.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.621 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 575' ' ' THR . . . . . 0.594 ' OG1' ' O ' ' A' ' 572' ' ' LEU . 7.9 p -54.61 -39.62 68.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.671 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -58.89 -47.15 92.04 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.67 -41.42 55.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.318 . . . . 0.0 110.745 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.9 mt -57.76 -40.35 79.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.487 HG11 HG21 ' A' ' 443' ' ' ILE . 42.1 t -61.64 -53.25 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 580' ' ' LEU . 9.9 mp -64.45 -35.08 79.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.2 -39.44 86.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -65.56 -51.19 61.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.625 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.96 -36.84 80.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -58.79 -51.23 70.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.72 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -135.81 133.96 38.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.737 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 17.2 tp -173.77 -28.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.58 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -55.6 -33.73 64.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -165.91 96.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 52.0 p -130.35 -45.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 4.9 pt -149.92 93.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.652 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -61.97 -46.01 91.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.628 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 19.7 m -54.46 -34.55 61.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 11.2 tp . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.543 179.689 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 600' ' ' VRB . . . . . 0.627 ' H27' ' OD2' ' A' ' 492' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 429' ' ' MET . . . . . 0.586 ' O ' ' HB3' ' A' ' 430' ' ' ALA . 8.1 tpt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 429' ' ' MET . . . 74.29 26.49 1.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.613 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -84.34 113.52 21.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 432' ' ' VAL . 1.8 m -84.62 114.37 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.558 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -79.18 132.85 36.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.525 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 436' ' ' GLU . 38.7 tp -59.05 -35.44 73.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.575 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 35.5 m -54.65 -11.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.555 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 436' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 434' ' ' LEU . 48.8 tp10 -63.71 -35.88 82.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.542 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.652 ' N ' HD12 ' A' ' 437' ' ' LEU . 8.9 mp -76.87 160.78 28.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -52.26 -44.6 65.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 45.05 57.74 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.499 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.532 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 3.1 ptp180 -54.89 -27.68 44.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.625 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 441' ' ' GLN . . . . . 0.541 ' NE2' ' O ' ' A' ' 441' ' ' GLN . 3.7 tm0? -69.1 -31.63 70.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.693 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 442' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 445' ' ' GLU . . . -70.04 -57.21 5.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -177.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 443' ' ' ILE . . . . . 0.517 ' O ' ' OG1' ' A' ' 446' ' ' THR . 14.1 pt -43.42 -37.03 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.712 -178.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 444' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 42.3 m-85 -67.62 -39.19 84.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 178.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 442' ' ' ALA . 43.0 tp10 -54.53 -41.63 69.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.161 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 446' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 443' ' ' ILE . 17.2 p -58.51 -53.8 54.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.04 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.597 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.0 OUTLIER -55.41 -51.06 68.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.162 179.27 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 58.0 t -71.16 -35.66 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.11 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 445' ' ' GLU . . . -64.11 -48.0 77.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.763 0.316 . . . . 0.0 110.826 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -72.54 -37.97 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -55.31 -50.96 57.45 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' ARG . . . . . 0.494 ' NH1' ' OG ' ' A' ' 477' ' ' SER . 9.2 ptm180 -77.72 -30.41 51.72 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.059 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.65 -56.77 4.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.701 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.9 mt -66.14 -42.3 89.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.709 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.575 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.1 mt -88.88 -14.08 37.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.734 -177.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 60.57 55.71 3.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.382 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 12.8 t -94.42 157.52 15.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.661 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -83.07 -53.93 5.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.48 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.482 ' O ' ' O ' ' A' ' 553' ' ' HIS . 7.4 ttt180 -140.24 140.02 35.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.557 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 28.5 m -146.44 132.87 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.493 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 35.5 mt -113.3 137.43 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.559 HG22 ' CD1' ' A' ' 550' ' ' LEU . 2.3 t -134.82 128.44 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.449 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.51 ' CD2' HD12 ' A' ' 490' ' ' ILE . 25.6 p90 -142.41 142.44 32.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.691 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -82.61 145.98 29.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.455 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -82.04 146.6 29.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.642 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -111.48 -171.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.546 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -80.7 -15.74 55.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.457 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 468' ' ' ASN . . . . . 0.69 ' O ' HG23 ' A' ' 470' ' ' VAL . 88.5 m-20 -102.05 27.33 6.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.52 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 469' ' ' TYR . . . . . 0.483 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.1 m-85 55.09 19.06 2.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.386 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 470' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 468' ' ' ASN . 58.1 t -108.5 127.27 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.551 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.434 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -77.68 174.08 54.86 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -177.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 84.8 m -146.74 106.07 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.782 0.325 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.96 96.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.649 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 11.4 p -96.27 -18.89 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.387 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -149.62 130.26 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.408 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 476' ' ' GLU . . . . . 0.416 ' H ' ' HD3' ' A' ' 486' ' ' ARG . 48.9 tt0 -147.81 145.26 28.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.648 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 477' ' ' SER . . . . . 0.494 ' OG ' ' NH1' ' A' ' 452' ' ' ARG . 45.5 t -134.5 121.34 20.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.615 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 478' ' ' VAL . . . . . 0.409 HG12 ' HG3' ' A' ' 459' ' ' ARG . 1.6 m -134.08 140.01 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.582 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.701 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -57.31 171.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.709 178.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -74.03 126.63 30.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.404 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.68 -9.73 25.81 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 482' ' ' TRP . . . . . 0.701 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 41.7 m95 -101.96 167.06 11.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.812 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -86.85 130.13 3.06 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.965 2.443 . . . . 0.0 111.966 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -95.73 149.5 21.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.693 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 485' ' ' ALA . . . . . 0.409 ' N ' ' OE1' ' A' ' 476' ' ' GLU . . . -113.44 -95.59 0.45 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.426 HH11 ' HG3' ' A' ' 486' ' ' ARG . 32.8 mmm-85 62.17 123.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.75 -178.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 487' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 487' ' ' ASP . 0.4 OUTLIER 75.0 18.83 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.199 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -105.02 148.01 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.565 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 489' ' ' VAL . 18.8 m -108.41 132.21 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.51 HD12 ' CD2' ' A' ' 463' ' ' TYR . 50.9 mt -102.13 122.08 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.663 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 491' ' ' GLU . . . . . 0.417 ' O ' ' OD1' ' A' ' 492' ' ' ASP . 95.0 mt-10 -112.64 96.97 6.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.303 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.745 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 5.3 m-20 -135.84 78.1 49.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.687 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 493' ' ' PRO . . . . . 0.472 ' O ' ' OE1' ' A' ' 497' ' ' GLU . 52.4 Cg_endo -70.41 36.26 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.753 2.302 . . . . 0.0 112.151 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.736 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -95.91 -79.9 0.43 Allowed 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.302 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 495' ' ' PHE . . . . . 0.736 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 34.6 p90 -75.24 -52.39 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 118.141 0.428 . . . . 0.0 110.307 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.745 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 23.7 ptt180 -51.82 -13.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.665 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 497' ' ' GLU . . . . . 0.519 ' OE1' ' NE2' ' A' ' 498' ' ' HIS . 68.3 tt0 -89.41 -58.47 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.478 -177.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 498' ' ' HIS . . . . . 0.519 ' NE2' ' OE1' ' A' ' 497' ' ' GLU . 2.2 m80 -96.95 -46.96 6.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.384 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.482 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 7.5 m95 -64.39 -4.84 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 -177.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 1.023 HG13 ' H ' ' A' ' 501' ' ' GLU . 6.4 p -49.12 -67.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.484 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 1.023 ' H ' HG13 ' A' ' 500' ' ' VAL . 24.4 mt-10 -47.46 -39.99 17.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.52 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -59.16 -43.56 92.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.495 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 503' ' ' TYR . . . . . 0.465 ' OH ' HG21 ' A' ' 537' ' ' VAL . 4.6 m-85 -62.35 -40.25 95.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.626 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.498 ' HE ' ' HB2' ' A' ' 546' ' ' LEU . 24.0 mmt85 -51.93 -31.95 30.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.77 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -79.7 -9.69 59.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.682 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 90.68 35.93 7.08 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -79.55 154.83 28.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.641 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.8 pt -136.78 156.33 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.457 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' GLN . . . . . 0.585 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 1.1 tm0? -133.64 119.72 19.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.696 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.763 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -114.78 114.35 25.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.357 -178.012 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.585 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.2 OUTLIER -129.63 108.67 10.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.649 177.468 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 54.5 m -62.78 -61.97 2.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.503 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.6 t0 -102.93 97.73 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.581 -178.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.592 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 46.6 pt -53.58 -10.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.378 -177.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 515' ' ' PHE . . . . . 0.444 ' H ' ' C ' ' A' ' 513' ' ' ASP . 16.6 m-85 -75.0 -10.56 59.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.434 -178.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.546 ' HE2' HG22 ' A' ' 511' ' ' THR . 22.5 pttt -101.5 -12.04 18.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.593 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 517' ' ' ALA . . . . . 0.485 ' CB ' HG21 ' A' ' 511' ' ' THR . . . -131.91 116.27 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 518' ' ' GLY . . . . . 0.708 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 102.99 44.25 1.79 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.35 33.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 110.649 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.708 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.2 OUTLIER -77.65 -174.12 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.598 ' H ' HG22 ' A' ' 520' ' ' THR . 5.1 pt-20 -105.5 -52.17 2.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.359 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 522' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 7.9 p -70.65 -41.37 72.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.2 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.591 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 51.2 t60 -55.93 -56.79 16.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.447 -178.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.488 HD21 ' O ' ' A' ' 518' ' ' GLY . 18.8 mt -54.23 -45.59 72.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.504 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -73.02 -10.23 59.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -90.63 -32.27 16.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.574 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 527' ' ' LEU . 9.9 mp -93.98 -17.56 22.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.561 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 16.7 mtt85 -59.36 -59.46 13.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.661 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 11.7 Cg_endo -55.81 -29.31 71.46 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.827 2.351 . . . . 0.0 112.092 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 35.2 mt -85.74 -14.11 46.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.549 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.3 tptm 66.12 22.58 11.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.506 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 14.2 t -69.84 116.32 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.631 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 65.5 mtt-85 -124.01 73.57 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.511 178.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.592 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 170.82 -170.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.223 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -174.44 98.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 111.075 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 536' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 561' ' ' TRP . 49.6 tp -133.6 112.34 11.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.209 177.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 537' ' ' VAL . 31.8 m -115.3 120.51 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.21 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.621 ' O ' HD12 ' A' ' 549' ' ' LEU . 32.9 t -117.01 111.5 40.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.023 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.71 132.68 33.65 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.844 2.363 . . . . 0.0 112.351 -174.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.455 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 39.2 mmm -115.37 113.64 24.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.211 175.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 13.1 t -121.09 123.58 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.7 mt -109.25 138.37 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.913 177.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 53.5 t0 43.1 31.96 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 109.846 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 75.93 25.62 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.431 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 545' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 542' ' ' ILE . 95.2 mt-30 -129.72 134.51 47.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 546' ' ' LEU . . . . . 0.498 ' HB2' ' HE ' ' A' ' 504' ' ' ARG . 11.8 tp -72.11 95.04 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.612 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -90.13 -33.09 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -177.277 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 548' ' ' GLY . . . . . 0.612 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -156.22 -178.77 30.7 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 538' ' ' VAL . 14.5 tp -155.07 136.93 14.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.666 0.27 . . . . 0.0 110.422 -178.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.588 ' H ' HD12 ' A' ' 549' ' ' LEU . 28.4 tp -105.27 119.74 39.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.658 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.563 HG22 ' NE2' ' A' ' 553' ' ' HIS . 3.5 mt -124.63 130.41 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -106.93 145.26 32.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.648 ' CE1' ' H32' ' A' ' 600' ' ' VRB . 30.0 m80 -142.51 139.27 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.646 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -89.15 118.03 28.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.768 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -83.87 -9.34 58.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.256 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 10.4 p -100.58 -72.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.294 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -145.34 159.1 49.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -46.67 159.65 0.29 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.913 2.409 . . . . 0.0 112.035 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.588 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 41.0 ttt85 -154.17 150.71 28.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.644 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -108.97 107.51 17.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.438 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.763 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.4 OUTLIER -83.72 120.8 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.74 179.368 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -70.96 158.27 36.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.3 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -57.52 -32.51 67.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.481 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 19.9 mm -67.23 -38.09 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.477 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.15 -31.75 72.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.478 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 23.4 mt -73.7 -42.12 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.603 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -52.5 -48.17 66.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -60.27 -41.05 92.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.575 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.1 m-85 -57.27 -41.13 79.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.411 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 570' ' ' SER . . . . . 0.472 ' O ' ' OG ' ' A' ' 574' ' ' SER . 11.3 t -59.16 -52.05 67.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.398 -178.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.69 -43.08 97.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.299 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 17.7 tp -62.0 -55.01 33.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.529 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.0 93.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.538 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 574' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 570' ' ' SER . 68.3 m -57.22 -32.99 67.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.0 m -53.13 -48.44 67.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.748 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.07 -44.67 88.31 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.58 -39.26 49.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.752 0.31 . . . . 0.0 110.692 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.33 -42.08 86.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.667 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 98.6 t -61.65 -51.44 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 580' ' ' LEU . 10.1 mp -66.63 -32.93 74.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -57.9 -40.66 80.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.526 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 582' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 585' ' ' PHE . 77.2 mtm180 -66.23 -43.56 86.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.527 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 25.4 tp -67.44 -44.49 78.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.643 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -68.69 -48.87 62.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.657 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.415 ' O ' ' O ' ' A' ' 582' ' ' ARG . 95.8 m-85 -128.25 160.27 32.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.659 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 23.2 mt 52.75 62.89 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.59 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 587' ' ' GLU . . . . . 0.535 ' H ' ' CD ' ' A' ' 587' ' ' GLU . 43.7 mp0 -62.9 -30.51 71.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.59 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -79.94 115.03 19.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.631 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 591' ' ' ALA . 1.7 m -130.35 24.81 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.568 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 12.6 pt -68.43 62.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 591' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 589' ' ' THR . . . -75.79 -8.58 57.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.58 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 23.2 t -54.91 -34.96 63.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.538 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.561 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 600' ' ' VRB . . . . . 0.648 ' H32' ' CE1' ' A' ' 553' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -158.21 133.6 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -68.61 -35.54 77.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.57 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 432' ' ' VAL . 8.9 p -74.58 115.67 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.539 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -133.56 159.81 39.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.605 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 47.6 mt -60.41 -32.61 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.556 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 83.3 p -58.42 -37.57 75.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -102.47 26.56 7.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.551 HD23 ' C ' ' A' ' 437' ' ' LEU . 3.0 tt -139.68 103.8 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.66 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.417 ' N ' HD23 ' A' ' 437' ' ' LEU . 66.4 ttt-85 -175.22 -79.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.618 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -94.94 167.23 11.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.424 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.515 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 0.7 OUTLIER -57.88 -28.29 64.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.616 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 441' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 440' ' ' ARG . 1.4 tm0? -68.79 -30.99 69.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.625 -177.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.68 -58.09 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.592 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' ILE . . . . . 0.472 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 9.0 pt -44.27 -39.28 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.753 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 444' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 36.0 m-85 -62.65 -44.45 96.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 46.3 tp10 -52.67 -38.37 60.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.109 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 89.1 m -60.51 -46.8 88.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 447' ' ' LEU . 2.8 mt -60.33 -52.26 66.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.211 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.622 HG22 HG21 ' A' ' 462' ' ' VAL . 2.5 t -70.54 -37.1 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.151 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -64.59 -46.18 83.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.817 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -72.07 -43.24 65.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.814 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -52.95 -49.4 55.24 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 43.9 ptt85 -78.16 -30.52 49.24 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.029 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -77.08 -57.54 3.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.327 . . . . 0.0 110.7 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.49 -43.54 85.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.701 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.3 mt -85.6 -13.72 47.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.71 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.62 55.06 4.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.385 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 11.6 t -94.65 153.7 17.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.705 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -78.16 -54.42 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.449 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.527 ' HE ' ' CG1' ' A' ' 478' ' ' VAL . 12.6 ttm180 -134.81 139.88 45.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.576 -178.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 11.5 m -146.47 130.06 9.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.488 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 28.9 mt -115.84 138.27 46.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.836 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.622 HG21 HG22 ' A' ' 448' ' ' VAL . 2.4 t -135.56 125.41 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.499 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 22.0 p90 -138.43 140.27 39.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.659 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -81.28 147.11 30.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.444 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 465' ' ' PHE . . . . . 0.532 ' CE2' HD21 ' A' ' 546' ' ' LEU . 1.9 m-85 -82.71 145.83 29.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.595 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 41.5 t0 -110.43 -172.56 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.467 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 467' ' ' ASP . . . . . 0.516 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 86.8 m-20 -80.39 -16.13 55.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.455 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 468' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 470' ' ' VAL . 93.1 m-20 -101.93 30.68 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.448 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 469' ' ' TYR . . . . . 0.467 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 7.6 m-85 53.25 17.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.38 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 470' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 468' ' ' ASN . 43.8 t -108.79 129.04 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.619 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -81.5 176.14 54.31 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 88.1 m -149.96 108.7 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 473' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 488' ' ' GLN . 24.9 t -67.95 92.98 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.72 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.527 ' O ' ' NE ' ' A' ' 486' ' ' ARG . 13.6 p -89.28 -19.87 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.394 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.91 134.86 15.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.39 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -152.45 150.71 29.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.677 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 49.5 m -140.77 129.85 23.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.591 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 478' ' ' VAL . . . . . 0.527 ' CG1' ' HE ' ' A' ' 459' ' ' ARG . 2.1 t -136.35 144.58 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.573 -178.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.748 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -53.95 170.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -77.67 131.28 37.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.412 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 111.38 -16.23 27.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 482' ' ' TRP . . . . . 0.748 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 50.1 m95 -97.07 169.2 9.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.477 ' O ' ' NH2' ' A' ' 459' ' ' ARG . 8.5 Cg_endo -87.12 126.5 2.39 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.026 2.484 . . . . 0.0 111.907 178.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -89.92 147.99 23.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.711 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 485' ' ' ALA . . . . . 0.537 ' HB1' ' CD ' ' A' ' 488' ' ' GLN . . . -111.23 -96.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.614 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.527 ' NE ' ' O ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER 61.13 129.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.644 -178.337 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 487' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 12.1 t0 76.98 19.37 1.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.564 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.537 ' CD ' ' HB1' ' A' ' 485' ' ' ALA . 83.5 mt-30 -102.91 146.1 28.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.484 178.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.405 ' CG1' ' CG1' ' A' ' 470' ' ' VAL . 21.5 t -98.39 128.33 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.654 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 11.5 mm -97.52 112.02 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.662 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 491' ' ' GLU . . . . . 0.45 ' O ' ' OD1' ' A' ' 492' ' ' ASP . 78.5 mt-10 -114.04 94.34 4.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.339 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.726 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 4.5 m-20 -137.14 79.26 38.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.714 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 493' ' ' PRO . . . . . 0.464 ' O ' ' OE1' ' A' ' 497' ' ' GLU . 55.4 Cg_endo -71.31 38.59 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.739 2.293 . . . . 0.0 112.178 -177.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.719 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -97.85 -77.65 0.5 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 118.98 -0.533 . . . . 0.0 109.731 179.062 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 495' ' ' PHE . . . . . 0.719 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 33.8 p90 -75.07 -53.16 9.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 110.394 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.726 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 24.3 ptt180 -51.5 -12.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.682 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 497' ' ' GLU . . . . . 0.464 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 73.4 tt0 -89.7 -58.11 2.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.495 -177.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -97.38 -46.54 6.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.52 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.531 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 6.9 m95 -63.5 -8.37 9.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.493 -177.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 1.02 HG13 ' H ' ' A' ' 501' ' ' GLU . 5.9 p -47.02 -67.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.487 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 1.02 ' H ' HG13 ' A' ' 500' ' ' VAL . 23.0 pt-20 -47.26 -38.85 13.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -60.95 -44.11 97.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 503' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.7 m-85 -61.33 -41.43 97.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.601 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.621 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.8 mmt85 -48.8 -35.95 15.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.714 177.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -76.59 -10.65 59.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.681 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 91.25 35.78 6.89 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -77.36 155.05 32.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 0.0 110.598 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.6 pt -136.75 155.28 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.446 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 509' ' ' GLN . . . . . 0.554 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 0.8 OUTLIER -132.36 119.12 20.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 177.521 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.785 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -115.98 115.68 26.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.412 -178.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.7 HG21 ' HB3' ' A' ' 517' ' ' ALA . 0.3 OUTLIER -129.04 111.66 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.714 177.389 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 79.1 m -64.37 -57.81 8.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.479 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 515' ' ' PHE . 40.5 t0 -108.59 99.59 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.536 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 27.1 pt -53.63 -10.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.293 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 515' ' ' PHE . . . . . 0.452 ' H ' ' C ' ' A' ' 513' ' ' ASP . 13.5 m-85 -74.01 -10.98 60.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.5 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -102.38 -15.67 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.566 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' ALA . . . . . 0.7 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -130.9 116.42 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.599 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 518' ' ' GLY . . . . . 0.687 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 106.93 44.84 1.25 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.59 31.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.652 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.687 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.1 OUTLIER -76.82 -176.97 4.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.479 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 522' ' ' CYS . 15.9 pt-20 -106.08 -54.0 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.381 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 522' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 14.8 p -69.68 -40.98 76.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.224 -177.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.537 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 33.5 t60 -57.29 -55.44 34.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.386 -178.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.537 HD21 ' O ' ' A' ' 518' ' ' GLY . 32.7 mt -54.54 -46.28 73.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.522 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -71.6 -17.03 62.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.696 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -83.27 -29.07 28.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.64 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 527' ' ' LEU . 8.8 mp -96.14 -26.54 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.644 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.556 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 14.3 mtt85 -47.55 -59.45 5.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 16.1 Cg_endo -58.33 -29.53 88.32 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.854 2.369 . . . . 0.0 112.045 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 50.8 mt -82.57 -15.41 52.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.554 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.491 ' CE ' HH12 ' A' ' 533' ' ' ARG . 9.1 tptt 68.23 20.44 8.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.511 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.94 116.65 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.515 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 533' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 68.1 mtt85 -125.37 74.34 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 177.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.599 ' HB1' ' CH2' ' A' ' 561' ' ' TRP . . . 172.29 -171.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.244 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -175.14 99.94 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.022 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 536' ' ' LEU . . . . . 0.49 HD13 ' CD1' ' A' ' 561' ' ' TRP . 48.5 tp -133.33 114.12 13.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.137 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 537' ' ' VAL . 30.2 m -117.08 119.45 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 111.229 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.637 ' O ' HD12 ' A' ' 549' ' ' LEU . 98.7 t -115.1 111.98 44.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.01 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.2 132.86 33.11 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.824 2.349 . . . . 0.0 112.342 -174.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.466 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 40.9 mmm -119.0 111.79 18.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.205 175.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.2 t -120.04 123.82 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.952 -176.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.1 mt -112.89 139.74 36.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.918 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 58.9 t0 45.08 35.68 1.72 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.014 0.435 . . . . 0.0 109.834 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 1.1 m-20 68.71 25.77 6.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.381 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 545' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 542' ' ' ILE . 94.1 mt-30 -129.79 137.75 50.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.617 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 546' ' ' LEU . . . . . 0.621 ' CB ' HH21 ' A' ' 504' ' ' ARG . 12.8 tp -72.02 92.96 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -83.55 -38.78 21.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 -176.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 548' ' ' GLY . . . . . 0.55 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -159.44 179.66 34.87 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -177.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 538' ' ' VAL . 14.4 tp -151.28 136.6 17.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.712 0.291 . . . . 0.0 110.371 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.581 ' CD1' HG22 ' A' ' 462' ' ' VAL . 24.2 tp -103.23 118.22 36.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.641 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.561 HG22 ' NE2' ' A' ' 553' ' ' HIS . 4.5 mt -122.65 131.97 72.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.621 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.68 146.78 35.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.561 ' NE2' HG22 ' A' ' 551' ' ' ILE . 30.6 m80 -143.24 142.18 31.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -89.64 121.99 32.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.748 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -87.39 -12.56 45.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.334 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 78.7 p -99.07 -72.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.351 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.79 160.66 46.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.512 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -48.26 159.01 0.81 Allowed 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.883 2.388 . . . . 0.0 112.027 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.616 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 43.7 ttt85 -154.56 150.62 27.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.655 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -110.71 108.59 18.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.458 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.785 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.3 OUTLIER -82.95 118.19 23.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.737 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -69.09 159.38 33.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.342 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -56.8 -32.95 66.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.883 0.373 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 14.6 mm -67.19 -38.09 80.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.425 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.28 -31.46 72.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.551 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 24.8 mt -73.05 -42.04 59.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.538 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -52.78 -48.55 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -59.94 -40.38 88.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.521 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.1 m-85 -58.37 -40.83 83.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 66.8 m -60.07 -51.17 70.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.352 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.21 -43.23 98.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.349 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.45 -53.31 58.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.528 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.402 ' O ' ' CE ' ' A' ' 540' ' ' MET . . . -62.69 -41.35 99.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.5 p -56.12 -34.25 65.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 27.7 m -55.62 -43.91 76.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.74 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.5 -45.61 89.33 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 3.8 m -52.22 -40.02 61.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.696 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.37 -48.58 80.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.416 HG22 ' H ' ' A' ' 579' ' ' VAL . 12.2 m -76.4 -31.06 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.641 -177.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.547 HD13 ' CE2' ' A' ' 547' ' ' PHE . 47.6 mt -64.08 -37.89 89.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.626 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -66.91 -50.01 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.58 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -67.74 -34.64 77.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 36.9 tp -71.99 -26.08 62.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.645 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -53.68 -20.83 5.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.623 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -94.73 134.83 36.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.674 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 28.8 mt -79.09 125.67 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.477 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 588' ' ' GLN . 97.8 mt-10 -71.09 -16.95 62.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 588' ' ' GLN . . . . . 0.46 ' O ' ' O ' ' A' ' 587' ' ' GLU . 90.8 mt-30 58.4 144.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.576 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 43.5 m -57.12 -40.3 76.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.511 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 13.6 pt -91.89 62.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.473 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.25 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.526 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 32.0 m -61.11 -35.54 77.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.533 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 62.0 mt . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.554 -179.767 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 600' ' ' VRB . . . . . 0.625 ' H28' ' OD2' ' A' ' 492' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -129.07 9.44 5.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.631 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 54.31 -94.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 33.6 m -75.12 146.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -58.38 146.96 32.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.612 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 434' ' ' LEU . 8.7 mp -66.26 -22.8 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.584 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 60.2 p -53.11 -7.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.546 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 436' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 434' ' ' LEU . 66.6 mm-40 -64.67 -16.71 63.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.602 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 37.8 mt -87.96 145.41 26.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.601 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -102.76 -165.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.562 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 62.14 124.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.467 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 0.8 OUTLIER -62.78 -29.09 70.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 441' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 50.7 tp60 -68.19 -30.96 70.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.649 -177.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -70.27 -57.86 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 17.6 pt -44.52 -38.39 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.803 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 444' ' ' PHE . . . . . 0.436 ' HB3' ' CB ' ' A' ' 475' ' ' ALA . 27.1 m-85 -59.17 -44.92 92.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.035 178.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 97.4 mt-10 -55.89 -36.34 67.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 88.3 m -56.36 -33.51 65.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.061 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.527 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.0 OUTLIER -83.21 -50.93 7.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.245 178.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.04 -39.63 83.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.115 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -62.36 -47.83 82.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.868 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -69.29 -40.98 77.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.82 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -55.12 -52.45 46.98 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 38.0 ptt85 -76.69 -28.61 55.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.711 0.291 . . . . 0.0 111.088 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -79.03 -55.61 5.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.702 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 66.2 mt -66.22 -43.9 85.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.714 -177.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.599 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 13.2 mt -86.37 -14.78 42.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.703 -178.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 59.57 53.8 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 72.4 m -94.17 157.2 16.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.744 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -78.05 -51.68 9.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.504 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 553' ' ' HIS . 45.8 ttt180 -142.54 142.49 32.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.564 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 35.0 m -146.11 135.31 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 551' ' ' ILE . 17.0 mt -112.57 144.46 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.747 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 3.5 t -143.65 128.44 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.417 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 21.6 p90 -139.37 164.53 29.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.688 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -104.68 141.86 35.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.492 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 465' ' ' PHE . . . . . 0.576 ' CE2' HD21 ' A' ' 546' ' ' LEU . 1.4 m-85 -80.45 143.84 33.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.672 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -111.28 -170.89 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.495 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -80.79 -16.0 54.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.447 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 468' ' ' ASN . . . . . 0.574 ' O ' HG23 ' A' ' 470' ' ' VAL . 84.7 m-20 -101.35 26.75 6.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.521 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 469' ' ' TYR . . . . . 0.491 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.5 m-85 55.76 20.84 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.39 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 470' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 468' ' ' ASN . 94.6 t -108.89 130.37 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.622 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -80.85 174.75 54.88 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 472' ' ' THR . . . . . 0.422 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 93.5 m -147.12 105.22 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.572 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 473' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 488' ' ' GLN . 34.7 t -65.65 82.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.653 -177.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.423 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 14.6 p -81.87 -21.59 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.348 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 475' ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' A' ' 444' ' ' PHE . . . -150.16 135.41 17.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.364 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 476' ' ' GLU . . . . . 0.423 ' H ' ' HD3' ' A' ' 486' ' ' ARG . 49.6 tt0 -158.37 154.14 26.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.679 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 42.8 t -139.53 128.58 23.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.3 m -134.37 140.08 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.534 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.728 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -58.44 171.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 480' ' ' GLU . . . . . 0.68 ' H ' ' CD ' ' A' ' 480' ' ' GLU . 1.3 pm0 -74.05 125.64 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.459 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 113.49 -10.49 23.93 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 482' ' ' TRP . . . . . 0.728 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 35.9 m95 -102.46 167.36 10.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 0.0 110.844 178.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -86.06 128.96 3.3 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 123.008 2.472 . . . . 0.0 111.907 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -91.01 148.33 22.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.685 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -112.12 -97.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.543 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 487' ' ' ASP . 34.5 mmm-85 60.03 122.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.707 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 487' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 10.9 t0 77.53 15.87 1.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.52 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.412 ' O ' HG23 ' A' ' 473' ' ' VAL . 88.8 mt-30 -103.69 147.07 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 178.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 32.9 m -108.51 133.33 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.575 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.431 HD12 ' CD2' ' A' ' 463' ' ' TYR . 58.6 mt -101.58 119.65 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.669 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 491' ' ' GLU . . . . . 0.421 ' HA ' HH12 ' A' ' 496' ' ' ARG . 97.6 mt-10 -110.57 94.21 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.319 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.718 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 3.8 m-20 -132.71 78.35 66.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.746 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 493' ' ' PRO . . . . . 0.489 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 55.7 Cg_endo -71.32 35.19 0.28 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.806 2.338 . . . . 0.0 112.193 -177.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.728 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -95.54 -78.5 0.45 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.511 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 495' ' ' PHE . . . . . 0.728 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 36.5 p90 -75.72 -53.1 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.318 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.718 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 25.1 ptt180 -51.44 -14.1 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.607 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 497' ' ' GLU . . . . . 0.459 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 66.6 tt0 -89.83 -58.93 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.494 -177.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 498' ' ' HIS . . . . . 0.436 ' NE2' ' OE1' ' A' ' 497' ' ' GLU . 2.1 m80 -95.14 -46.59 6.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.439 -177.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.448 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 6.2 m95 -65.21 -3.76 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.46 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 1.018 HG13 ' H ' ' A' ' 501' ' ' GLU . 6.2 p -48.76 -67.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.507 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 1.018 ' H ' HG13 ' A' ' 500' ' ' VAL . 23.1 pt-20 -47.06 -39.08 12.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.557 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -63.71 -42.43 97.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -62.15 -40.72 96.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.632 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' A' ' 504' ' ' ARG . 12.0 mmt-85 -50.94 -34.12 27.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.671 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -77.55 -9.88 59.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.727 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 88.32 34.32 9.67 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 507' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 539' ' ' PRO . 22.1 mmt85 -71.58 155.49 40.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.614 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.66 HD11 HD11 ' A' ' 536' ' ' LEU . 7.3 tt -138.34 150.4 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.443 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 509' ' ' GLN . . . . . 0.622 HE22 ' CG ' ' A' ' 535' ' ' ASN . 0.7 OUTLIER -128.57 123.77 34.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.682 177.414 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.789 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -115.75 111.81 21.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.416 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 517' ' ' ALA . 1.5 m -131.61 111.55 11.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.685 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 512' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 512' ' ' THR . 3.1 p -66.1 -55.05 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.482 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.419 ' N ' ' OG1' ' A' ' 512' ' ' THR . 41.7 t0 -104.43 97.62 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.621 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.623 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 46.7 pt -55.24 -10.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.391 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 515' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 513' ' ' ASP . 18.3 m-85 -76.43 -12.57 60.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.516 -178.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.46 ' HE3' HG23 ' A' ' 511' ' ' THR . 1.3 pttp -101.31 -11.12 19.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.549 178.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 517' ' ' ALA . . . . . 0.53 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -129.71 114.71 16.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 518' ' ' GLY . . . . . 0.708 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 99.5 45.29 2.17 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 23.9 mt -58.75 34.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.759 0.314 . . . . 0.0 110.647 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.708 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.2 OUTLIER -76.24 -173.62 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.421 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.616 ' H ' HG22 ' A' ' 520' ' ' THR . 18.4 pt-20 -107.95 -49.46 3.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.327 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 522' ' ' CYS . . . . . 0.629 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 8.1 p -71.04 -44.25 66.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.198 -177.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.629 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 74.7 t60 -56.86 -55.41 34.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.466 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.473 HD21 ' O ' ' A' ' 518' ' ' GLY . 17.2 mt -53.63 -46.73 70.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.526 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -72.23 -11.84 60.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.713 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -89.39 -31.24 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.627 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 527' ' ' LEU . 10.1 mp -93.98 -30.1 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.618 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.562 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 18.5 mtp180 -47.13 -59.23 5.67 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 12.8 Cg_endo -56.45 -28.64 74.31 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.876 2.384 . . . . 0.0 112.061 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 36.8 mt -85.62 -14.8 44.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 4.2 tptm 67.98 20.64 9.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 29.6 t -68.36 114.23 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.584 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 533' ' ' ARG . . . . . 0.527 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 86.3 mtt-85 -122.57 73.89 1.15 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.623 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.32 -171.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.225 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 535' ' ' ASN . . . . . 0.622 ' CG ' HE22 ' A' ' 509' ' ' GLN . 10.4 t-20 -174.4 99.46 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 111.083 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 536' ' ' LEU . . . . . 0.66 HD11 HD11 ' A' ' 508' ' ' ILE . 53.1 tp -134.78 114.72 12.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.177 177.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 537' ' ' VAL . 27.2 m -118.85 120.73 64.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.165 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 60.1 t -119.27 99.81 50.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.99 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' PRO . . . . . 0.492 ' CG ' ' O ' ' A' ' 507' ' ' ARG . 31.8 Cg_exo -54.33 133.45 56.1 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.805 2.337 . . . . 0.0 112.367 -175.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.472 ' CE ' ' O ' ' A' ' 573' ' ' ALA . 44.4 mmm -114.96 113.95 24.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.227 175.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.7 t -120.01 127.81 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 545' ' ' GLN . 90.2 mt -114.24 136.77 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.954 178.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 58.1 t0 43.03 31.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.07 0.462 . . . . 0.0 109.844 -176.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 0.4 OUTLIER 75.99 25.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.415 179.439 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 545' ' ' GLN . . . . . 0.568 ' N ' ' O ' ' A' ' 542' ' ' ILE . 93.0 mt-30 -127.59 128.97 46.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.634 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 546' ' ' LEU . . . . . 0.576 HD21 ' CE2' ' A' ' 465' ' ' PHE . 16.0 tp -66.66 92.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.54 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -84.85 -37.71 20.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.517 -176.854 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 548' ' ' GLY . . . . . 0.54 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -158.84 -179.46 33.71 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -176.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 31.1 tp -146.95 138.21 24.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.707 0.289 . . . . 0.0 110.355 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 20.7 tp -104.69 108.72 20.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.646 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.631 ' HB ' ' CE1' ' A' ' 553' ' ' HIS . 0.5 OUTLIER -116.89 131.22 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.635 -178.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 552' ' ' ALA . . . . . 0.487 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -121.65 147.05 46.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.556 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.631 ' CE1' ' HB ' ' A' ' 551' ' ' ILE . 3.0 m-70 -152.19 151.88 31.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.671 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.463 ' OE1' ' NH1' ' A' ' 559' ' ' ARG . 3.0 mp0 -90.85 117.68 29.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.685 177.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -77.53 -8.45 57.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.303 -178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 55.2 p -99.18 -71.91 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.336 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -142.09 159.23 59.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.483 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -48.0 163.37 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.922 2.415 . . . . 0.0 112.081 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.585 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 21.8 ttt-85 -159.78 152.96 22.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.69 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -111.48 109.2 19.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.445 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.789 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.0 OUTLIER -78.79 116.04 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.684 177.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -68.39 162.44 25.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.364 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -58.16 -34.99 70.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.438 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 564' ' ' ILE . . . . . 0.429 HG22 ' NE2' ' A' ' 568' ' ' GLN . 93.1 mt -63.32 -39.6 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.427 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.588 ' N ' ' OE1' ' A' ' 565' ' ' GLU . 2.7 mp0 -62.76 -32.74 73.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.573 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 82.7 mt -66.44 -47.49 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -52.37 -48.39 65.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.599 ' OE1' ' N ' ' A' ' 568' ' ' GLN . 0.5 OUTLIER -61.11 -40.65 94.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 179.187 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 5.9 m-85 -58.57 -43.42 89.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.329 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 58.8 m -59.21 -50.98 71.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.358 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -64.75 -41.87 95.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.325 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.44 -55.46 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.549 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.472 ' O ' ' CE ' ' A' ' 540' ' ' MET . . . -61.6 -44.07 97.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.541 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 80.7 p -55.59 -32.18 62.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.599 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 15.7 m -56.17 -43.47 78.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.72 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.93 -46.26 91.11 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 1.5 t -49.6 -44.81 47.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.67 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.6 mt -59.24 -41.87 89.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 98.7 t -63.07 -53.94 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.647 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.6 -39.0 92.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.609 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -58.19 -51.49 69.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 582' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 585' ' ' PHE . 71.1 ttp85 -67.47 -43.63 80.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.563 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 5.8 tt -53.06 -37.38 61.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.666 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -56.23 -42.61 77.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.664 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 582' ' ' ARG . 88.6 m-85 -103.66 131.78 50.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.613 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 8.1 tp -172.73 -58.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -55.69 -34.36 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 588' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 593' ' ' LEU . 59.6 tp60 54.92 61.41 2.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 1.5 m -89.33 23.28 2.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 26.6 pt -148.52 141.6 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -75.85 -8.52 57.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.596 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 19.3 m -42.48 -32.53 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.609 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' LEU . . . . . 0.543 HD23 ' C ' ' A' ' 593' ' ' LEU . 2.6 tt . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.573 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' VRB . . . . . 0.588 ' H28' ' OD2' ' A' ' 492' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 44.5 ttp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -157.19 152.44 26.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.572 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -155.75 140.87 17.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.506 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 24.7 t -89.94 115.77 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -62.64 150.06 41.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.594 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.491 ' C ' ' N ' ' A' ' 436' ' ' GLU . 5.4 tp -60.31 -22.13 62.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.504 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 90.9 p -47.95 -12.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.573 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 436' ' ' GLU . . . . . 0.491 ' N ' ' C ' ' A' ' 434' ' ' LEU . 85.0 tt0 -64.14 -30.73 71.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.629 ' N ' HD12 ' A' ' 437' ' ' LEU . 9.6 mp -93.15 155.56 17.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.587 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -151.46 -22.22 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -74.85 132.41 41.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.519 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.481 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 4.3 ptp180 -68.14 -26.74 65.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.659 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 441' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 61.1 tp60 -69.48 -31.5 69.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.635 -177.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 442' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 445' ' ' GLU . . . -70.4 -57.16 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -177.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 443' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 12.5 pt -43.33 -39.06 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.742 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 444' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 35.6 m-85 -62.19 -41.01 97.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 442' ' ' ALA . 49.6 tp10 -57.58 -36.37 71.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 94.9 m -60.73 -35.73 77.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.065 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.531 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.2 mt -80.28 -48.83 12.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.504 ' CG1' ' OG ' ' A' ' 477' ' ' SER . 47.5 t -67.78 -39.4 81.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.125 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -61.21 -47.22 87.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.763 0.316 . . . . 0.0 110.863 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -69.41 -39.7 77.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.853 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -55.79 -52.42 48.66 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.439 -0.664 . . . . 0.0 111.439 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' ARG . . . . . 0.471 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 9.2 ptm180 -76.68 -29.98 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.065 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -77.49 -55.12 5.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.88 0.371 . . . . 0.0 110.751 -178.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 58.5 mt -67.54 -42.76 82.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.672 -177.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.612 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.7 mt -87.75 -15.26 37.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.682 -178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 59.65 55.12 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 72.7 m -94.03 154.88 17.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.606 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.515 ' OD2' ' NE2' ' A' ' 554' ' ' GLN . 90.9 m-20 -77.95 -50.71 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.45 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 553' ' ' HIS . 19.4 ttt180 -140.65 138.86 34.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.553 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 460' ' ' VAL . 33.2 m -144.19 128.7 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.461 177.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 16.3 tt -113.91 139.01 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.766 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 550' ' ' LEU . 2.7 t -136.02 129.6 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.404 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.656 ' CD2' HD12 ' A' ' 490' ' ' ILE . 24.8 p90 -141.14 142.82 34.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.707 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -83.05 145.93 29.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.388 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 465' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.4 m-85 -82.82 146.29 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.697 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -111.32 -172.55 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.464 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -80.13 -13.57 59.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.443 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 468' ' ' ASN . . . . . 0.422 ' O ' HG23 ' A' ' 470' ' ' VAL . 88.2 m-20 -102.02 27.62 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.497 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 469' ' ' TYR . . . . . 0.599 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 7.0 m-85 54.85 18.04 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.333 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 470' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 468' ' ' ASN . 44.3 t -108.79 133.07 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.71 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.43 ' O ' HG13 ' A' ' 489' ' ' VAL . . . -83.02 173.42 52.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -177.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 472' ' ' THR . . . . . 0.403 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 89.4 m -148.1 111.83 5.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.778 0.323 . . . . 0.0 110.68 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 473' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 488' ' ' GLN . 47.7 t -71.91 93.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.649 -177.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.522 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 13.7 m -97.0 -20.1 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.339 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 475' ' ' ALA . . . . . 0.455 ' HB2' ' NE2' ' A' ' 441' ' ' GLN . . . -148.5 131.57 16.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.384 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 476' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' ' 486' ' ' ARG . 60.3 tt0 -157.74 153.15 26.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.675 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 477' ' ' SER . . . . . 0.504 ' OG ' ' CG1' ' A' ' 448' ' ' VAL . 82.5 p -137.52 126.26 23.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.579 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.84 143.01 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.602 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -60.88 172.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.71 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -73.59 127.49 32.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.425 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.65 -9.61 25.89 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 482' ' ' TRP . . . . . 0.602 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 40.1 m95 -103.38 168.41 8.76 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.981 0.419 . . . . 0.0 110.798 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -84.96 129.34 3.93 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.972 2.448 . . . . 0.0 111.917 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -96.76 148.32 23.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.706 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 485' ' ' ALA . . . . . 0.437 ' HB3' HG11 ' A' ' 473' ' ' VAL . . . -115.85 -94.32 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 -179.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.447 HH21 ' CD ' ' A' ' 441' ' ' GLN . 34.1 mmm-85 65.18 16.77 10.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.68 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -176.36 20.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.502 ' O ' HG23 ' A' ' 473' ' ' VAL . 90.0 mt-30 -103.29 142.68 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.562 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 471' ' ' GLY . 14.1 t -102.33 133.73 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.621 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.656 HD12 ' CD2' ' A' ' 463' ' ' TYR . 17.0 mt -102.04 118.65 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.743 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -118.71 88.14 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.255 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.748 ' C ' ' HE ' ' A' ' 496' ' ' ARG . 7.3 m-20 -129.13 83.54 65.56 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.58 39.61 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.695 2.263 . . . . 0.0 112.223 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.756 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -97.9 -71.4 0.69 Allowed 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.198 179.307 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 495' ' ' PHE . . . . . 0.756 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 30.8 p90 -79.58 -52.54 7.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 118.864 0.756 . . . . 0.0 110.281 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.748 ' HE ' ' C ' ' A' ' 492' ' ' ASP . 7.5 ptt180 -52.48 -13.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.657 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 497' ' ' GLU . . . . . 0.422 ' OE1' ' CD2' ' A' ' 498' ' ' HIS . 5.1 tm-20 -91.18 -58.69 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.573 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 498' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 494' ' ' CYS . 1.7 m80 -91.46 -38.33 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.45 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.515 ' N ' ' O ' ' A' ' 495' ' ' PHE . 8.9 m95 -82.65 21.84 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.494 -178.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 1.072 HG13 ' H ' ' A' ' 501' ' ' GLU . 3.6 p -69.16 -70.45 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.52 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 1.072 ' H ' HG13 ' A' ' 500' ' ' VAL . 21.8 pt-20 -48.85 -38.63 22.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.508 178.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -56.91 -44.26 82.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 503' ' ' TYR . . . . . 0.459 ' OH ' HG21 ' A' ' 537' ' ' VAL . 4.1 m-85 -63.14 -40.84 98.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.592 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.599 ' NE ' ' O ' ' A' ' 544' ' ' ASP . 4.0 tpt180 -47.71 -33.6 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.715 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -80.37 -7.75 59.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.663 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 506' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 88.09 33.56 10.69 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 507' ' ' ARG . . . . . 0.534 ' O ' ' CG ' ' A' ' 539' ' ' PRO . 32.7 mmt180 -72.63 155.31 40.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 0.0 110.603 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 5.4 tt -137.11 152.04 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.425 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 509' ' ' GLN . . . . . 0.886 HE22 ' ND2' ' A' ' 535' ' ' ASN . 0.3 OUTLIER -131.36 121.39 24.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.689 177.257 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.812 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -113.99 113.9 25.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.367 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.539 HG21 ' HB3' ' A' ' 517' ' ' ALA . 0.2 OUTLIER -130.22 109.2 10.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.614 177.822 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 60.0 m -62.96 -61.52 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.548 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.3 t0 -104.13 98.73 8.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.567 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 25.1 pt -54.45 -10.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.338 -177.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 515' ' ' PHE . . . . . 0.443 ' H ' ' C ' ' A' ' 513' ' ' ASP . 18.0 m-85 -76.18 -13.65 60.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.419 -178.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.519 ' HE2' HG22 ' A' ' 511' ' ' THR . 25.8 pttt -98.71 -11.68 21.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.573 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 517' ' ' ALA . . . . . 0.539 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -132.39 116.49 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 -178.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 518' ' ' GLY . . . . . 0.752 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 104.29 45.13 1.49 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 177.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 10.4 mt -57.23 30.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.722 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 520' ' ' THR . . . . . 1.039 HG21 ' H13' ' A' ' 600' ' ' VRB . 72.9 p -77.56 -173.81 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.534 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 522' ' ' CYS . 21.0 pt-20 -110.03 -41.54 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.375 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 522' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 526' ' ' GLN . 6.2 t -70.41 -48.23 57.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.254 -178.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.429 ' NE2' HD22 ' A' ' 527' ' ' LEU . 55.6 t60 -56.07 -53.0 62.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.453 -177.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.408 HD21 ' O ' ' A' ' 518' ' ' GLY . 9.4 mt -57.76 -47.78 81.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -72.39 -22.54 61.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.772 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 522' ' ' CYS . 38.7 tt0 -83.12 -30.44 27.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.624 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.429 HD22 ' NE2' ' A' ' 523' ' ' HIS . 8.9 mp -92.43 -33.8 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.587 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 6.2 mtp180 -43.2 -58.26 4.35 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.639 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 10.8 Cg_endo -55.15 -26.86 53.03 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.765 2.31 . . . . 0.0 112.052 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 24.6 mt -87.38 -8.6 56.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.545 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 531' ' ' LYS . 0.0 OUTLIER 54.07 27.16 7.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 7.9 t -75.71 124.24 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.474 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 533' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 61.2 mtp180 -127.05 75.41 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.567 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.7 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.177 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 535' ' ' ASN . . . . . 0.886 ' ND2' HE22 ' A' ' 509' ' ' GLN . 24.6 t-20 -174.54 98.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.113 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 536' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 50.2 tp -134.02 113.2 11.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.196 177.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.459 HG21 ' OH ' ' A' ' 503' ' ' TYR . 18.4 m -124.35 120.97 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.26 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 538' ' ' VAL . 8.7 p -119.68 107.46 40.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.976 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' PRO . . . . . 0.534 ' CG ' ' O ' ' A' ' 507' ' ' ARG . 31.5 Cg_exo -54.46 133.95 59.02 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.753 2.302 . . . . 0.0 112.4 -175.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.523 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 55.0 mmm -117.41 113.76 22.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.233 175.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 541' ' ' VAL . 4.0 m -122.53 125.11 72.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.957 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 545' ' ' GLN . 96.4 mt -104.07 139.97 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.863 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 543' ' ' ASP . . . . . 0.4 ' O ' ' CB ' ' A' ' 544' ' ' ASP . 84.7 m-20 43.17 30.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -176.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 544' ' ' ASP . . . . . 0.599 ' O ' ' NE ' ' A' ' 504' ' ' ARG . 18.4 t0 75.75 25.75 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.414 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 545' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 542' ' ' ILE . 91.5 mt-30 -126.75 125.12 41.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.677 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 17.2 tp -62.76 92.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.517 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.1 OUTLIER -88.62 -38.11 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.578 -176.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 548' ' ' GLY . . . . . 0.504 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -155.24 -179.99 30.81 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.432 HD23 HD11 ' A' ' 551' ' ' ILE . 34.9 tp -148.51 137.48 21.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.739 0.304 . . . . 0.0 110.369 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.468 ' CD1' HG22 ' A' ' 462' ' ' VAL . 23.4 tp -105.43 116.32 31.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.666 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.493 HG22 ' NE2' ' A' ' 553' ' ' HIS . 6.2 mt -121.74 133.97 66.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.501 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.43 140.88 44.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.543 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.493 ' NE2' HG22 ' A' ' 551' ' ' ILE . 38.9 m80 -137.62 139.22 40.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.614 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.515 ' NE2' ' OD2' ' A' ' 458' ' ' ASP . 10.4 mm100 -90.46 115.92 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.693 175.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.449 ' O ' ' CH2' ' A' ' 482' ' ' TRP . . . -83.88 -10.69 57.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.349 -178.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 42.2 t -100.32 -72.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.313 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.16 158.56 54.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.512 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -47.87 160.16 0.5 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.865 2.377 . . . . 0.0 112.012 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.615 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 43.2 ttt85 -153.94 150.07 27.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.64 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -110.49 110.2 20.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.432 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.812 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.1 OUTLIER -82.82 119.63 24.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 178.793 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -70.49 160.2 32.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.328 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -57.99 -35.4 71.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 110.539 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 564' ' ' ILE . . . . . 0.474 ' O ' ' OE1' ' A' ' 568' ' ' GLN . 32.9 mm -61.21 -41.42 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.452 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.14 -31.98 70.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.527 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 29.7 mm -66.78 -46.2 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.558 177.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -51.35 -49.19 61.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.513 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.474 ' OE1' ' O ' ' A' ' 564' ' ' ILE . 10.9 mp0 -61.98 -39.75 93.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.489 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.612 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.4 m-85 -57.86 -43.88 86.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.329 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 570' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 574' ' ' SER . 11.7 t -58.18 -52.87 63.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.413 -178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.75 -40.62 95.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.36 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 572' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 572' ' ' LEU . 47.4 tp -63.1 -54.88 31.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.478 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.523 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -66.03 -42.54 89.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 574' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 570' ' ' SER . 74.7 m -57.36 -33.08 67.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.604 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 55.1 m -57.14 -46.82 82.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.687 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -54.5 -45.12 77.59 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 1.9 t -51.52 -41.39 60.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.705 0.288 . . . . 0.0 110.615 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -57.99 -43.86 86.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.667 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.48 -46.41 80.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.674 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.422 HD21 HD12 ' A' ' 443' ' ' ILE . 77.5 mt -65.48 -36.92 85.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.615 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.06 -41.48 78.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.604 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -64.38 -36.1 83.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.623 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 15.2 tp -53.81 -38.43 64.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.619 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -55.41 -32.58 62.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.67 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -98.43 131.34 44.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.702 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 586' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 589' ' ' THR . 26.5 tp -146.13 148.42 32.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.529 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 587' ' ' GLU . . . . . 0.408 ' C ' ' H ' ' A' ' 589' ' ' THR . 46.6 tp10 -40.68 -32.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.581 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -79.94 29.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 589' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 586' ' ' LEU . 1.6 t -57.14 -9.11 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.58 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 26.9 mt -71.65 63.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.562 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -70.88 -17.28 62.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 592' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 593' ' ' LEU . 31.4 m -59.28 -34.59 72.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.614 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 593' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 592' ' ' SER . 16.0 tp . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.559 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 600' ' ' VRB . . . . . 1.039 ' H13' HG21 ' A' ' 520' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 88.7 mtp . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -98.78 130.39 45.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -84.26 113.44 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 33.4 m -97.84 134.68 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.531 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' GLN . . . . . 0.438 ' OE1' ' OE2' ' A' ' 436' ' ' GLU . 93.2 mt-30 -140.38 112.97 8.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 434' ' ' LEU . 8.8 mp -65.48 -32.21 73.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 84.0 p -57.85 -35.36 70.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.569 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 436' ' ' GLU . . . . . 0.438 ' OE2' ' OE1' ' A' ' 433' ' ' GLN . 98.4 mt-10 -68.79 -36.74 78.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 30.0 mt -76.89 146.22 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -132.96 157.81 44.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.661 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -73.39 53.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.521 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.466 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 4.1 ptp85 -59.19 -27.65 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.676 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 441' ' ' GLN . . . . . 0.56 ' CD ' HH21 ' A' ' 486' ' ' ARG . 42.4 tp60 -68.79 -29.98 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.679 -176.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.65 -57.84 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.613 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 13.8 pt -45.13 -38.56 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.786 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 444' ' ' PHE . . . . . 0.402 ' N ' HG13 ' A' ' 443' ' ' ILE . 26.8 m-85 -59.42 -45.01 92.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.012 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 97.2 mt-10 -58.03 -34.65 70.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.145 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 71.9 m -60.59 -31.45 70.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.99 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.528 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.9 mt -82.22 -49.0 10.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 74.3 t -69.99 -35.7 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.116 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -64.76 -48.08 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.788 0.328 . . . . 0.0 110.811 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -72.86 -36.74 67.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -58.05 -51.73 56.61 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 452' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 8.6 ptm180 -79.23 -29.49 42.75 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.991 -0.283 . . . . 0.0 111.053 -178.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -76.69 -54.53 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.715 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 53.3 mt -69.27 -44.37 72.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.645 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.1 mt -84.62 -14.42 48.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.729 -178.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 59.62 55.71 3.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.371 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 76.6 m -94.61 152.85 18.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.694 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.435 ' OD2' ' OE1' ' A' ' 554' ' ' GLN . 80.1 m-20 -75.52 -53.55 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.49 -178.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.488 ' O ' ' O ' ' A' ' 553' ' ' HIS . 35.0 ttt180 -143.01 142.34 31.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.517 -177.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 34.4 m -147.05 135.21 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.467 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.495 ' CD1' ' H31' ' A' ' 600' ' ' VRB . 15.1 mt -114.27 137.04 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.766 -178.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.596 HG22 ' CD1' ' A' ' 550' ' ' LEU . 2.5 t -133.46 124.87 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.529 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 24.5 p90 -140.99 141.18 34.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.653 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -82.31 148.49 28.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.405 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 465' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.6 m-85 -81.64 147.21 29.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.603 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -111.57 -172.7 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.494 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 467' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 52.7 p30 -81.31 -10.9 59.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.467 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 468' ' ' ASN . . . . . 0.736 ' O ' HG23 ' A' ' 470' ' ' VAL . 92.7 m-20 -105.64 26.07 10.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.499 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 469' ' ' TYR . . . . . 0.447 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.2 m-85 55.47 20.71 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.382 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 470' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 468' ' ' ASN . 23.0 t -110.06 131.93 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.63 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -78.39 170.1 54.68 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 472' ' ' THR . . . . . 0.404 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 64.1 m -145.72 105.84 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.53 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 473' ' ' VAL . . . . . 0.475 ' HB ' ' H ' ' A' ' 488' ' ' GLN . 19.1 t -68.81 96.91 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.687 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.475 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 11.6 p -94.17 -21.81 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.283 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.91 133.62 15.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.357 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -153.6 153.15 31.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.656 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 42.0 t -139.54 128.25 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.4 m -132.55 139.34 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 -177.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.794 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -55.69 170.02 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.704 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -73.85 125.58 28.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.441 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.72 -10.63 25.57 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 482' ' ' TRP . . . . . 0.794 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 38.7 m95 -103.0 147.78 34.63 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.811 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -66.45 127.9 18.21 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.056 2.504 . . . . 0.0 111.892 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -88.23 147.14 24.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.779 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' ALA . . . . . 0.462 ' HB1' ' CD ' ' A' ' 488' ' ' GLN . . . -114.68 -96.23 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.56 HH21 ' CD ' ' A' ' 441' ' ' GLN . 20.6 ttt180 58.17 133.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.677 -178.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 68.79 21.13 7.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.475 ' H ' ' HB ' ' A' ' 473' ' ' VAL . 80.8 mt-30 -104.35 151.84 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.492 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 489' ' ' VAL . 8.8 p -108.69 129.29 63.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.684 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.427 HD12 ' CD2' ' A' ' 463' ' ' TYR . 54.0 mt -104.76 127.76 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.711 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 491' ' ' GLU . . . . . 0.434 ' HA ' HH12 ' A' ' 496' ' ' ARG . 70.6 tt0 -118.53 96.96 5.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.284 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.719 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 16.1 m-20 -135.55 82.51 39.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.738 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 493' ' ' PRO . . . . . 0.467 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 73.3 Cg_endo -78.09 40.97 0.94 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.721 2.281 . . . . 0.0 112.23 -175.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.768 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -100.74 -75.48 0.58 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 118.956 -0.545 . . . . 0.0 109.843 178.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 495' ' ' PHE . . . . . 0.768 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 23.5 p90 -75.19 -51.59 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.067 0.394 . . . . 0.0 110.312 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.719 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 29.2 ptt180 -54.24 -15.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.601 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 497' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 68.8 tt0 -89.82 -58.7 2.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.522 -178.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 498' ' ' HIS . . . . . 0.506 ' C ' ' H ' ' A' ' 500' ' ' VAL . 1.2 m80 -91.23 -46.8 7.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.455 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' ' 495' ' ' PHE . 12.0 m95 -73.73 21.74 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.548 -178.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 1.079 HG13 ' H ' ' A' ' 501' ' ' GLU . 3.6 p -67.35 -70.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.463 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 1.079 ' H ' HG13 ' A' ' 500' ' ' VAL . 22.2 pt-20 -50.16 -39.13 42.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -55.08 -45.82 75.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.473 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 503' ' ' TYR . . . . . 0.424 ' OH ' HG21 ' A' ' 537' ' ' VAL . 4.1 m-85 -62.44 -40.09 95.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.612 178.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.586 ' NE ' ' O ' ' A' ' 544' ' ' ASP . 5.7 tpt180 -48.89 -37.54 20.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.753 177.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -76.09 -8.06 56.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.692 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 90.2 34.6 8.03 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -76.22 155.33 34.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.824 0.345 . . . . 0.0 110.596 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.5 pt -139.15 159.14 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.516 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 509' ' ' GLN . . . . . 0.609 ' NE2' ' O ' ' A' ' 509' ' ' GLN . 0.0 OUTLIER -140.96 124.68 16.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.657 177.329 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.783 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.02 118.31 32.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.388 -177.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.509 ' OG1' ' OE1' ' A' ' 509' ' ' GLN . 0.3 OUTLIER -128.56 107.24 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.711 177.233 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 512' ' ' THR . . . . . 0.426 ' OG1' ' OE1' ' A' ' 560' ' ' GLN . 99.6 m -61.31 -60.35 3.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.516 -178.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.586 ' OD1' ' N ' ' A' ' 513' ' ' ASP . 8.5 p-10 -105.07 99.91 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.598 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.601 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 40.4 pt -52.83 -8.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.32 -179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 515' ' ' PHE . . . . . 0.501 ' H ' ' C ' ' A' ' 513' ' ' ASP . 35.1 m-85 -82.24 7.3 14.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.503 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.74 -10.41 14.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.641 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -128.22 113.26 15.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' GLY . . . . . 0.663 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 81.54 46.16 6.99 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 519' ' ' LEU . . . . . 0.406 ' CD2' ' O ' ' A' ' 515' ' ' PHE . 11.7 mt -49.68 -1.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.708 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.663 ' H ' ' C ' ' A' ' 518' ' ' GLY . 35.2 m -153.58 128.47 9.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.534 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.7 ' CB ' ' H14' ' A' ' 600' ' ' VRB . 6.1 pt-20 159.01 171.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.376 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 522' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 526' ' ' GLN . 25.5 p -65.76 -27.6 68.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.218 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.493 ' NE2' ' N29' ' A' ' 600' ' ' VRB . 3.7 t60 -52.21 -50.37 62.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.48 -176.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.411 HD11 ' O ' ' A' ' 518' ' ' GLY . 4.6 mt -56.42 -50.69 70.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.471 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -73.4 -20.72 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.752 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 522' ' ' CYS . 41.0 tt0 -87.15 -27.12 23.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.629 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 9.4 mp -101.11 -11.16 19.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.596 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 2.3 ttt85 -55.57 -44.81 99.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.644 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 12.7 Cg_exo -69.39 -25.68 30.08 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.846 2.364 . . . . 0.0 112.069 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 37.7 mt -85.76 -13.27 48.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.505 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 6.1 tptp 63.53 25.09 14.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.498 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 7.0 t -69.57 112.29 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.526 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 533' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 75.1 mtt180 -122.34 74.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.626 ' HB1' ' CH2' ' A' ' 561' ' ' TRP . . . 171.14 -170.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.266 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -174.94 99.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 111.063 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 536' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 561' ' ' TRP . 39.3 tp -134.25 113.63 12.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.149 177.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.424 HG21 ' OH ' ' A' ' 503' ' ' TYR . 19.4 m -115.58 121.84 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.228 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.63 ' O ' HD12 ' A' ' 549' ' ' LEU . 69.4 t -119.92 112.69 34.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.902 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.88 133.86 37.82 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.812 2.341 . . . . 0.0 112.332 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.526 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 46.4 mmm -114.41 117.33 30.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.152 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 12.5 t -119.62 128.2 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.98 0.419 . . . . 0.0 110.894 -176.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.617 ' O ' ' N ' ' A' ' 545' ' ' GLN . 28.6 mm -109.55 135.11 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.883 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 543' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 544' ' ' ASP . 58.8 t0 41.03 30.89 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.097 0.475 . . . . 0.0 109.857 -177.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 544' ' ' ASP . . . . . 0.586 ' O ' ' NE ' ' A' ' 504' ' ' ARG . 11.9 t0 80.25 25.59 0.34 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.474 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 545' ' ' GLN . . . . . 0.617 ' N ' ' O ' ' A' ' 542' ' ' ILE . 95.0 mt-30 -130.37 126.62 37.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.613 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.04 94.83 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.521 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.681 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -94.67 -30.7 14.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.572 -176.826 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 548' ' ' GLY . . . . . 0.681 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -155.73 -178.9 30.39 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -177.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.647 HD12 ' H ' ' A' ' 550' ' ' LEU . 11.2 tp -153.85 139.8 18.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.727 0.299 . . . . 0.0 110.393 -178.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.647 ' H ' HD12 ' A' ' 549' ' ' LEU . 25.8 tp -107.75 119.39 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.663 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.585 HG22 ' NE2' ' A' ' 553' ' ' HIS . 1.9 mt -124.29 132.53 71.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 552' ' ' ALA . . . . . 0.473 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -117.79 148.03 42.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.585 ' NE2' HG22 ' A' ' 551' ' ' ILE . 0.4 OUTLIER -151.36 149.29 29.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.676 178.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.435 ' OE1' ' OD2' ' A' ' 458' ' ' ASP . 87.2 mm-40 -87.47 121.26 29.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.763 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -80.74 -9.5 59.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.281 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 58.8 p -99.72 -72.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.307 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -142.17 159.08 59.96 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.485 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -49.1 163.53 0.33 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.864 2.376 . . . . 0.0 112.031 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.57 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 37.1 ttt85 -159.07 151.85 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.662 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 560' ' ' GLN . . . . . 0.426 ' OE1' ' OG1' ' A' ' 512' ' ' THR . 67.8 tp60 -109.06 107.58 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.489 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.783 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.2 OUTLIER -82.07 119.88 24.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.706 179.432 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -71.12 159.21 35.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.356 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -56.33 -33.39 65.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.446 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 564' ' ' ILE . . . . . 0.415 HG22 ' NE2' ' A' ' 568' ' ' GLN . 93.1 mt -66.67 -38.18 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.437 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.41 -32.49 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.618 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 23.0 mt -73.13 -42.44 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.556 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -51.13 -48.75 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.502 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.571 ' OE1' ' N ' ' A' ' 568' ' ' GLN . 0.5 OUTLIER -59.75 -41.55 91.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.539 179.313 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.7 m-85 -57.43 -41.17 79.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.429 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 65.5 m -60.03 -51.46 69.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.358 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.54 -43.16 97.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.354 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.39 -53.83 49.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.473 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.526 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -63.14 -43.8 97.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.0 p -58.83 -33.35 70.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 23.8 m -49.82 -53.12 27.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.724 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -52.04 -39.85 50.04 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 11.3 p -49.46 -47.85 48.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.673 0.273 . . . . 0.0 110.686 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 12.3 mt -50.3 -41.42 50.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.731 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.99 -46.53 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.602 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 580' ' ' LEU . 9.7 mp -65.38 -35.86 82.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.615 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -56.64 -39.63 74.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.541 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -69.7 -35.26 74.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.589 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 32.3 tp -59.22 -37.21 76.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.689 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -55.88 -39.22 71.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.686 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -100.82 136.27 40.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.651 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 38.4 mt -75.2 79.98 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.457 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -71.15 -23.41 62.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.554 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -80.91 48.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.565 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 58.3 p -61.14 -16.03 39.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.616 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 58.9 mt -110.56 87.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.557 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -76.4 -8.7 57.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 29.7 t -55.85 -39.02 70.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.604 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' LEU . . . . . 0.57 ' N ' HD12 ' A' ' 593' ' ' LEU . 10.4 mp . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.564 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 600' ' ' VRB . . . . . 0.7 ' H14' ' CB ' ' A' ' 521' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 16.1 mmt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -160.53 143.16 13.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 40.19 72.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 432' ' ' VAL . 32.8 m -59.0 129.89 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.506 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -69.87 120.78 16.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.613 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.536 ' C ' ' H ' ' A' ' 436' ' ' GLU . 5.7 tp -66.16 -22.55 66.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.499 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.595 ' C ' ' H ' ' A' ' 437' ' ' LEU . 43.0 t -50.63 -7.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.523 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' GLU . . . . . 0.536 ' H ' ' C ' ' A' ' 434' ' ' LEU . 45.0 tt0 -68.97 27.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.595 ' H ' ' C ' ' A' ' 435' ' ' SER . 14.5 tp -77.94 124.85 28.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.62 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 40.7 82.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.651 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -63.53 165.13 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.518 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.5 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 2.9 ptp180 -54.25 -27.76 36.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.669 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.83 -34.2 76.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.737 -177.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.16 -58.21 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.594 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 14.4 pt -43.21 -39.49 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.746 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 444' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 29.5 m-85 -59.35 -44.24 92.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.991 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 96.5 mt-10 -54.96 -35.06 63.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 89.6 m -59.05 -34.82 72.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.992 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.517 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.3 mt -79.14 -49.56 12.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.232 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.678 HG22 HG21 ' A' ' 462' ' ' VAL . 2.4 t -69.48 -37.22 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.113 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -63.16 -45.43 91.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.853 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 454' ' ' LEU . 4.1 mptt -72.37 -46.65 54.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.2 -49.37 31.0 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 35.5 ptt85 -76.97 -32.91 57.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.67 0.271 . . . . 0.0 111.069 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -78.32 -58.69 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.797 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 450' ' ' LYS . 46.5 mt -59.4 -41.74 90.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.692 -177.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.613 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.4 mt -90.51 -11.06 41.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.739 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 58.79 54.08 5.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.36 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' CYS . . . . . 0.455 ' SG ' ' OE1' ' A' ' 554' ' ' GLN . 5.9 t -93.7 153.2 18.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.703 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -76.47 -50.91 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.492 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.534 ' O ' ' O ' ' A' ' 553' ' ' HIS . 26.7 ttt180 -141.6 140.56 33.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.561 -178.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 460' ' ' VAL . . . . . 0.404 HG12 ' HB1' ' A' ' 552' ' ' ALA . 18.9 m -146.99 136.1 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.409 178.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 17.5 mt -114.74 142.22 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.801 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.678 HG21 HG22 ' A' ' 448' ' ' VAL . 5.7 t -139.24 127.26 26.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.454 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.474 ' HB2' ' C ' ' A' ' 472' ' ' THR . 26.1 p90 -140.21 159.05 43.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.671 -178.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -99.15 142.41 30.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.499 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 465' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 547' ' ' PHE . 1.7 m-85 -83.22 146.12 28.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -111.71 -171.26 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.512 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 467' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 54.3 p30 -82.82 -12.65 57.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.483 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 468' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 470' ' ' VAL . 91.8 m-20 -105.95 31.98 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.458 -178.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 469' ' ' TYR . . . . . 0.534 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 51.1 m-85 53.14 17.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.417 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 470' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 468' ' ' ASN . 42.7 t -107.38 127.26 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.616 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -86.63 177.91 48.59 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 472' ' ' THR . . . . . 0.474 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 53.9 m -149.47 110.2 4.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.78 0.324 . . . . 0.0 110.632 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 473' ' ' VAL . . . . . 0.513 ' HB ' ' H ' ' A' ' 488' ' ' GLN . 43.1 t -69.43 84.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.67 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 28.3 m -80.23 -20.29 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.354 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.33 136.27 15.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.351 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -151.86 152.46 32.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.689 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 60.3 p -138.9 126.73 22.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.586 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.2 m -134.71 139.14 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.574 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.802 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -56.34 171.33 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.669 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -74.41 125.31 28.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.471 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.49 -10.8 26.06 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 482' ' ' TRP . . . . . 0.802 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 41.9 m95 -102.2 148.07 34.87 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 110.774 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -63.51 128.65 22.94 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.922 2.414 . . . . 0.0 111.918 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -92.69 146.63 23.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.714 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' ALA . . . . . 0.584 ' HB1' ' CD ' ' A' ' 488' ' ' GLN . . . -115.21 -96.89 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.66 ' CG ' HH11 ' A' ' 486' ' ' ARG . 0.0 OUTLIER 68.1 128.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.651 -178.791 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 29.4 t0 67.15 26.21 8.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.53 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.584 ' CD ' ' HB1' ' A' ' 485' ' ' ALA . 73.5 mt-30 -101.99 146.32 28.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 178.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 46.1 t -101.59 129.43 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.463 HD12 ' CD2' ' A' ' 463' ' ' TYR . 48.0 mt -102.03 119.13 49.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.688 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 491' ' ' GLU . . . . . 0.454 ' HG3' HH22 ' A' ' 496' ' ' ARG . 66.7 tt0 -115.56 93.85 4.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.303 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.79 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 69.7 m-20 -134.33 80.11 53.19 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.708 179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 493' ' ' PRO . . . . . 0.519 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 58.6 Cg_endo -74.1 38.96 0.5 Allowed 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.821 2.347 . . . . 0.0 112.176 -176.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.706 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -98.52 -78.21 0.5 Allowed 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.049 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 495' ' ' PHE . . . . . 0.706 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 31.2 p90 -75.82 -54.83 6.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.881 0.372 . . . . 0.0 110.328 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.79 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 21.5 ptt180 -49.77 -13.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.639 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 497' ' ' GLU . . . . . 0.451 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 58.7 tt0 -91.09 -58.14 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.545 -177.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -95.75 -45.02 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.471 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.475 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 6.9 m95 -65.78 -3.54 5.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.477 -177.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.991 HG13 ' H ' ' A' ' 501' ' ' GLU . 6.0 p -50.03 -66.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.519 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.991 ' H ' HG13 ' A' ' 500' ' ' VAL . 21.4 pt-20 -48.15 -37.61 16.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.526 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -62.51 -43.69 98.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.571 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 503' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.0 m-85 -61.58 -39.9 92.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.66 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.846 HH21 ' H ' ' A' ' 546' ' ' LEU . 1.7 mpt_? -50.93 -36.79 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.774 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -74.98 -10.17 59.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.689 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 90.12 35.44 7.6 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 178.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -77.53 154.2 32.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.784 0.326 . . . . 0.0 110.58 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 536' ' ' LEU . 4.3 tt -139.39 155.93 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.452 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 509' ' ' GLN . . . . . 0.87 HE22 ' CG ' ' A' ' 535' ' ' ASN . 0.3 OUTLIER -131.62 122.69 26.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.69 178.021 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.816 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.46 114.19 23.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.383 -177.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.629 HG21 ' HB3' ' A' ' 517' ' ' ALA . 0.4 OUTLIER -129.64 111.55 12.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.645 177.063 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 61.7 m -62.78 -58.23 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.51 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 515' ' ' PHE . 38.7 t0 -106.61 99.9 9.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.585 -178.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.653 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 43.6 pt -54.33 -11.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.347 -178.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 515' ' ' PHE . . . . . 0.422 ' H ' ' C ' ' A' ' 513' ' ' ASP . 16.9 m-85 -74.23 -12.91 60.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.436 -177.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -100.23 -13.67 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' ALA . . . . . 0.629 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -130.83 115.99 17.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.515 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 518' ' ' GLY . . . . . 0.691 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 102.64 43.96 1.89 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 519' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 519' ' ' LEU . 13.4 mt -59.99 34.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.728 0.299 . . . . 0.0 110.676 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.857 HG22 ' H ' ' A' ' 521' ' ' GLU . 40.7 m -75.95 179.6 5.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.54 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.857 ' H ' HG22 ' A' ' 520' ' ' THR . 7.2 pt-20 -104.04 -48.69 3.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.37 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 522' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 13.7 p -72.29 -44.15 63.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.222 -177.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.609 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 2.4 t60 -58.77 -55.38 35.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.393 -177.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 520' ' ' THR . 38.8 mt -52.17 -46.0 65.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.495 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -72.53 -9.69 58.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.79 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -90.86 -28.81 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.619 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 527' ' ' LEU . 9.2 mp -96.85 -20.12 18.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.589 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 2.8 ttt180 -54.34 -45.42 99.28 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.69 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 12.4 Cg_exo -69.12 -29.21 27.31 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.8 2.333 . . . . 0.0 112.076 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.441 ' O ' ' NH1' ' A' ' 459' ' ' ARG . 35.4 mt -85.28 -13.02 51.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.51 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? 65.2 23.62 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.465 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 13.7 t -70.58 114.56 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.522 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 60.7 mtp180 -123.78 73.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.588 178.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.653 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 172.08 -169.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.19 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 535' ' ' ASN . . . . . 0.87 ' CG ' HE22 ' A' ' 509' ' ' GLN . 19.6 t-20 -172.86 101.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 111.032 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 536' ' ' LEU . . . . . 0.503 HD11 HD11 ' A' ' 508' ' ' ILE . 61.5 tp -136.73 112.37 9.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.125 177.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 537' ' ' VAL . 35.1 m -117.17 120.16 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.976 0.417 . . . . 0.0 111.163 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.676 ' O ' HD12 ' A' ' 549' ' ' LEU . 2.1 t -115.91 109.6 44.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.998 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -62.83 133.28 41.02 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.799 2.332 . . . . 0.0 112.33 -174.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.445 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 70.8 mmm -125.46 102.35 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.207 176.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 541' ' ' VAL . 3.6 m -117.48 123.02 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.979 -176.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 545' ' ' GLN . 75.3 mt -105.7 141.88 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.913 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 45.27 41.07 5.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 61.81 26.52 16.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.477 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 542' ' ' ILE . 62.3 tt0 -127.47 132.81 49.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.589 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 546' ' ' LEU . . . . . 0.846 ' H ' HH21 ' A' ' 504' ' ' ARG . 18.3 tp -68.43 92.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.525 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 465' ' ' PHE . 0.0 OUTLIER -81.89 -41.15 21.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.583 -177.557 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 548' ' ' GLY . . . . . 0.446 ' N ' ' CD2' ' A' ' 547' ' ' PHE . . . -162.59 -179.48 37.21 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -177.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 538' ' ' VAL . 14.5 tp -147.62 139.07 23.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.773 0.32 . . . . 0.0 110.353 -178.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 549' ' ' LEU . 21.7 tp -103.23 110.25 22.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.472 ' CG2' HG12 ' A' ' 537' ' ' VAL . 0.2 OUTLIER -115.78 132.03 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 -178.776 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 552' ' ' ALA . . . . . 0.485 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -122.26 147.94 45.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.534 ' O ' ' O ' ' A' ' 459' ' ' ARG . 1.2 m80 -151.99 149.15 28.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.47 ' OE1' ' NH1' ' A' ' 559' ' ' ARG . 2.8 mp0 -94.55 108.98 20.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.729 177.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.92 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.319 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 557' ' ' GLU . 93.4 p -67.82 -72.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.268 -178.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.454 ' N ' ' OG ' ' A' ' 556' ' ' SER . 41.8 mt-10 -146.49 159.42 44.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.479 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -46.31 162.44 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.946 2.431 . . . . 0.0 112.038 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.614 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 23.4 ttt-85 -159.13 153.08 23.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.692 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 560' ' ' GLN . . . . . 0.402 ' N ' ' CG ' ' A' ' 559' ' ' ARG . 64.9 tp60 -111.83 109.78 19.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.516 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.816 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.1 OUTLIER -80.53 117.49 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.7 178.061 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -68.77 161.23 28.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.37 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -58.38 -34.98 71.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.472 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 564' ' ' ILE . . . . . 0.506 HG22 ' NE2' ' A' ' 568' ' ' GLN . 37.1 mm -63.9 -38.78 83.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.465 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.15 -33.08 74.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.498 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.37 -45.74 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.587 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -52.53 -48.2 66.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.579 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.597 ' OE1' ' N ' ' A' ' 568' ' ' GLN . 0.5 OUTLIER -61.71 -40.12 93.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.291 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.613 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.4 m-85 -57.48 -42.48 82.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.371 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 11.2 t -59.92 -51.34 70.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.374 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -63.19 -42.35 99.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.365 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 16.4 tp -62.27 -52.5 63.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.489 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.445 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -64.25 -42.16 96.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.623 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.7 p -56.05 -32.62 64.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.571 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.0 m -59.08 -43.37 91.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.762 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.27 -46.06 87.08 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 1.5 t -50.2 -43.45 52.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.729 0.3 . . . . 0.0 110.712 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -56.25 -42.2 77.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.67 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.07 -48.58 88.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.55 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.462 ' CD1' ' CE1' ' A' ' 547' ' ' PHE . 25.4 mt -69.85 -33.1 71.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.695 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -56.87 -43.01 80.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 582' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 585' ' ' PHE . 90.8 mtt-85 -64.85 -42.3 95.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.59 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 35.6 tp -61.69 -41.36 97.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.645 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -73.48 -34.58 65.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.666 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.463 ' CG ' ' N ' ' A' ' 586' ' ' LEU . 67.8 t80 -96.02 167.25 11.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.614 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 586' ' ' LEU . . . . . 0.463 ' N ' ' CG ' ' A' ' 585' ' ' PHE . 6.1 tp 57.04 53.46 7.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.548 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.72 -42.07 99.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -173.73 40.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.561 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 589' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 591' ' ' ALA . 37.9 m -64.26 -23.89 67.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 15.0 pt -67.66 61.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.645 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 591' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 589' ' ' THR . . . -76.73 -42.71 40.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.556 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 87.8 p -60.88 -27.57 68.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.561 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.572 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 600' ' ' VRB . . . . . 0.699 ' H14' ' OG1' ' A' ' 520' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 78.2 mmm . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -155.48 142.02 18.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.621 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -67.96 -41.38 82.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.485 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 25.8 t -69.72 132.21 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -74.59 130.86 40.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.33 -28.15 69.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 23.3 t -51.57 -40.24 59.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.2 -46.76 72.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 6.5 tp -53.34 105.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.607 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -173.83 -81.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.578 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -78.88 140.6 38.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.514 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.475 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 4.6 ptp180 -60.75 -27.04 67.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 441' ' ' GLN . . . . . 0.519 ' OE1' ' NH2' ' A' ' 486' ' ' ARG . 61.4 tp60 -68.74 -29.34 67.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.708 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.17 -58.01 4.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.61 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' ILE . . . . . 0.567 HG21 HG11 ' A' ' 579' ' ' VAL . 13.8 pt -45.19 -38.43 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 444' ' ' PHE . . . . . 0.41 ' N ' HG13 ' A' ' 443' ' ' ILE . 31.1 m-85 -61.18 -46.44 90.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.011 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 77.6 mm-40 -52.27 -37.9 56.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.02 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 97.1 m -60.33 -46.25 90.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.999 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.558 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.7 mt -62.04 -53.82 50.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.644 HG22 HG21 ' A' ' 462' ' ' VAL . 2.4 t -68.37 -38.25 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.148 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -62.43 -45.91 90.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.821 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -70.91 -43.1 68.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.827 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -51.53 -50.49 41.85 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 452' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 9.4 ptm180 -77.97 -30.63 50.36 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.071 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -77.89 -55.76 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.738 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 39.7 mt -65.76 -41.41 92.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.682 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 11.9 mt -89.86 -13.22 36.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.803 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 456' ' ' ALA . . . . . 0.452 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 58.99 55.33 4.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.339 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 76.0 m -95.12 154.78 17.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.741 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -77.7 -51.59 10.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.493 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 553' ' ' HIS . 21.8 ttt180 -139.06 140.24 38.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 19.7 m -145.82 133.04 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.515 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 25.3 mt -114.9 137.53 48.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.829 -178.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.644 HG21 HG22 ' A' ' 448' ' ' VAL . 2.6 t -135.71 126.23 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.466 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.496 ' CD2' HD12 ' A' ' 490' ' ' ILE . 27.0 p90 -140.65 145.35 36.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.609 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -85.39 146.55 26.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.411 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 465' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 547' ' ' PHE . 1.9 m-85 -82.18 147.36 29.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -111.85 -172.18 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.549 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 467' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 58.8 p30 -81.65 -12.48 58.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 468' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 467' ' ' ASP . 83.4 m-20 -104.75 28.07 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.497 -179.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 469' ' ' TYR . . . . . 0.424 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 7.4 m-85 54.61 19.71 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.394 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 39.1 t -109.48 129.13 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.572 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.444 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -79.53 173.35 55.17 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -177.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 68.8 m -147.39 107.1 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 473' ' ' VAL . . . . . 0.41 ' HB ' ' H ' ' A' ' 488' ' ' GLN . 21.4 t -66.64 92.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.737 -178.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.512 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 15.0 p -89.26 -21.81 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.362 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 475' ' ' ALA . . . . . 0.519 ' HB2' ' NE2' ' A' ' 441' ' ' GLN . . . -153.75 137.57 16.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.431 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -154.93 152.96 30.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.704 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 57.7 m -139.97 127.99 22.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.633 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.14 142.32 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.591 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.721 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -58.16 172.83 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.684 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -75.49 126.13 30.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.442 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 113.83 -12.8 22.53 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 482' ' ' TRP . . . . . 0.721 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 48.5 m95 -99.8 167.9 10.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.811 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -85.52 127.85 3.34 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 123.046 2.497 . . . . 0.0 111.887 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -90.54 147.44 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.694 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -113.87 -105.03 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.656 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.519 ' NH2' ' OE1' ' A' ' 441' ' ' GLN . 0.0 OUTLIER 67.27 124.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.671 -178.366 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 487' ' ' ASP . . . . . 0.418 ' N ' ' HD3' ' A' ' 486' ' ' ARG . 18.0 t0 73.78 18.35 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.575 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.41 ' H ' ' HB ' ' A' ' 473' ' ' VAL . 80.2 mt-30 -102.55 149.46 24.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.553 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 489' ' ' VAL . 7.8 p -105.13 128.77 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.496 HD12 ' CD2' ' A' ' 463' ' ' TYR . 70.1 mt -104.01 119.38 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.708 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 491' ' ' GLU . . . . . 0.451 ' HA ' HH12 ' A' ' 496' ' ' ARG . 87.4 mt-10 -111.5 95.1 5.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.324 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.679 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 0.3 OUTLIER -130.8 75.42 78.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 179.192 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 493' ' ' PRO . . . . . 0.548 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 46.2 Cg_endo -70.16 32.51 0.2 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.758 2.305 . . . . 0.0 112.174 -178.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.769 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -92.78 -77.83 0.43 Allowed 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.89 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 495' ' ' PHE . . . . . 0.769 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 24.9 p90 -76.66 -50.84 12.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 0.0 110.343 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.679 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 26.6 ptt180 -52.93 -14.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.655 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 497' ' ' GLU . . . . . 0.454 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 74.4 tt0 -89.89 -58.89 2.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.563 -178.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 498' ' ' HIS . . . . . 0.47 ' C ' ' H ' ' A' ' 500' ' ' VAL . 3.4 m80 -92.66 -42.81 9.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.453 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.459 ' N ' ' O ' ' A' ' 495' ' ' PHE . 12.7 m95 -75.51 22.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 -178.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 1.032 HG13 ' H ' ' A' ' 501' ' ' GLU . 4.1 p -71.47 -69.38 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 1.032 ' H ' HG13 ' A' ' 500' ' ' VAL . 20.4 mt-10 -47.7 -38.26 14.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -59.02 -44.16 91.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 503' ' ' TYR . . . . . 0.452 ' OH ' HG21 ' A' ' 537' ' ' VAL . 3.8 m-85 -62.43 -40.66 97.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.603 HH21 ' CB ' ' A' ' 546' ' ' LEU . 15.3 mmt85 -49.25 -35.47 17.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -77.52 -8.77 58.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 89.11 35.62 8.05 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -78.39 155.46 29.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.628 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.441 HD13 HG21 ' A' ' 566' ' ' ILE . 4.8 pt -137.64 157.32 33.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.439 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 509' ' ' GLN . . . . . 0.634 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 12.5 tm0? -134.25 119.57 18.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.638 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.76 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -112.59 113.53 25.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.361 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.634 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.0 OUTLIER -128.04 106.03 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.645 178.017 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 64.4 m -61.91 -62.04 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.494 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.9 t0 -102.89 96.71 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.541 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 43.9 pt -51.85 -10.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.309 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 515' ' ' PHE . . . . . 0.473 ' H ' ' C ' ' A' ' 513' ' ' ASP . 23.3 m-85 -78.58 3.12 17.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.483 -178.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.57 ' HE3' HG22 ' A' ' 511' ' ' THR . 11.7 pttp -115.58 -13.56 11.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.633 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 517' ' ' ALA . . . . . 0.603 ' CB ' HG21 ' A' ' 511' ' ' THR . . . -130.03 114.53 15.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.586 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 518' ' ' GLY . . . . . 0.685 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 100.17 44.84 2.13 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 178.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 519' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 519' ' ' LEU . 10.1 mt -59.34 35.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 0.0 110.608 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.918 HG22 ' H ' ' A' ' 521' ' ' GLU . 2.4 m -76.84 -172.63 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.494 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.918 ' H ' HG22 ' A' ' 520' ' ' THR . 21.2 pt-20 -112.6 -43.35 3.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.352 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 522' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 521' ' ' GLU . 49.8 t -70.51 -40.3 73.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.213 -178.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.554 ' CB ' ' H12' ' A' ' 600' ' ' VRB . 7.2 t60 -61.02 -54.32 46.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.422 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' A' ' 524' ' ' LEU . 14.1 mt -51.68 -46.37 63.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.434 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -72.81 -8.34 55.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.743 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -92.45 -30.33 15.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.592 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 527' ' ' LEU . 10.9 mp -98.36 -29.2 13.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.582 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.544 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 7.7 mtp180 -41.39 -59.06 2.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.649 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 18.2 Cg_endo -60.91 -24.56 79.62 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.792 2.328 . . . . 0.0 112.074 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 26.5 mt -86.23 -11.56 52.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.522 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 531' ' ' LYS . 0.0 OUTLIER 54.12 27.59 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.55 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 5.9 t -76.09 124.66 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 533' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 27.9 mtp85 -124.57 73.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 178.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.541 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.25 -174.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.251 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 535' ' ' ASN . . . . . 0.45 ' ND2' ' OE1' ' A' ' 509' ' ' GLN . 42.7 t-20 -177.31 100.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.03 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 28.8 tp -132.26 118.49 19.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.118 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 537' ' ' VAL . 34.9 m -116.8 122.89 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.193 -178.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.641 ' O ' HD12 ' A' ' 549' ' ' LEU . 73.5 t -120.43 111.39 34.98 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.947 178.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.31 133.1 33.73 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.778 2.319 . . . . 0.0 112.321 -173.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 66.4 mmm -117.45 109.18 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.262 175.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.1 t -118.88 124.92 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.961 0.41 . . . . 0.0 110.956 -175.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 545' ' ' GLN . 88.0 mt -113.27 139.68 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.845 177.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 44.98 35.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.056 0.455 . . . . 0.0 109.811 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 0.9 OUTLIER 68.96 25.37 6.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.445 179.33 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 545' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 542' ' ' ILE . 65.1 tt0 -127.58 136.33 51.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 546' ' ' LEU . . . . . 0.603 ' CB ' HH21 ' A' ' 504' ' ' ARG . 14.9 tp -72.8 93.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.543 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -86.54 -37.97 17.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.58 -176.791 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 548' ' ' GLY . . . . . 0.577 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -157.03 -178.94 31.58 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.641 HD12 ' O ' ' A' ' 538' ' ' VAL . 15.4 tp -153.3 138.23 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.704 0.288 . . . . 0.0 110.354 -178.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.592 ' H ' HD12 ' A' ' 549' ' ' LEU . 22.9 tp -105.13 116.88 32.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.678 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.532 HG22 ' NE2' ' A' ' 553' ' ' HIS . 5.0 mt -121.39 132.38 70.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.555 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.94 146.66 36.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.634 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.679 ' CE1' ' H33' ' A' ' 600' ' ' VRB . 34.1 m80 -142.99 135.65 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -96.96 103.04 14.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.799 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.491 ' HB1' ' CZ3' ' A' ' 482' ' ' TRP . . . -66.56 -38.33 86.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.307 -177.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 33.4 t -60.38 -72.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.325 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.13 161.7 29.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.536 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 558' ' ' PRO . . . . . 0.517 ' HD3' ' HE ' ' A' ' 533' ' ' ARG . 5.4 Cg_endo -46.13 157.92 0.36 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.888 2.392 . . . . 0.0 112.024 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.568 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 43.1 ttt85 -155.02 150.47 27.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.52 109.42 19.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.449 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.76 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.2 OUTLIER -82.1 118.56 23.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.763 178.209 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -70.78 160.97 31.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.323 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 563' ' ' GLU . . . . . 0.424 ' HG2' ' H ' ' A' ' 563' ' ' GLU . 6.2 pt-20 -57.13 -33.35 67.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.466 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 22.0 mm -63.48 -39.74 86.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.436 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.576 ' N ' ' OE1' ' A' ' 565' ' ' GLU . 3.1 mp0 -62.11 -32.34 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.609 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.441 HG21 HD13 ' A' ' 508' ' ' ILE . 20.4 mm -67.62 -44.87 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 177.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -53.76 -49.37 68.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.565 177.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -59.54 -41.4 89.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.626 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 6.2 m-85 -58.28 -42.28 86.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.438 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 60.0 p -60.19 -53.35 58.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.417 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' A' ' 575' ' ' THR . 79.1 mm-40 -62.34 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.355 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 39.4 tp -63.3 -53.93 45.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.52 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.407 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -65.57 -44.02 88.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.533 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.3 p -58.12 -31.92 67.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 575' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 571' ' ' GLU . 49.0 m -56.72 -49.01 76.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.729 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -54.27 -44.41 75.42 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -41.01 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.649 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.38 -42.6 87.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.612 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.567 HG11 HG21 ' A' ' 443' ' ' ILE . 46.8 t -69.48 -41.41 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.639 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.481 HD13 ' CE2' ' A' ' 547' ' ' PHE . 93.6 mt -60.7 -38.37 84.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.664 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.72 -41.24 97.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -76.26 -37.48 57.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.555 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 28.5 tp -66.88 -27.82 67.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.635 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -54.31 -46.84 72.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -100.49 123.62 44.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.675 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 6.4 tp -174.18 93.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.575 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -61.71 -45.87 92.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.536 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 40.31 -128.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.526 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 14.9 t -131.12 16.57 5.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.59 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 12.8 pt -75.86 63.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.603 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.52 76.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 23.0 t -54.84 -40.1 69.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.623 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 593' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 593' ' ' LEU . 10.2 mp . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.542 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 600' ' ' VRB . . . . . 0.679 ' H33' ' CE1' ' A' ' 553' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 74.9 mtm . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . 43.54 -104.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -62.53 143.43 57.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.37 132.8 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.611 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -121.41 153.73 37.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.557 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 42.2 tp -50.21 -44.88 53.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.572 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 28.4 t -69.88 -28.32 65.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.514 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -86.25 24.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.639 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 438' ' ' ARG . 2.9 tt -51.52 113.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.585 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.608 ' N ' HD23 ' A' ' 437' ' ' LEU . 94.7 mtt180 -79.52 128.02 32.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.643 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 440' ' ' ARG . 56.0 t0 -80.56 149.74 29.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.523 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.476 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 2.2 ptp180 -54.41 -28.06 41.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.591 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 441' ' ' GLN . . . . . 0.559 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 34.5 tp60 -68.9 -29.41 67.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.64 -177.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.39 -57.57 5.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' ILE . . . . . 0.616 HG21 HG11 ' A' ' 579' ' ' VAL . 15.7 pt -45.43 -36.49 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.712 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 444' ' ' PHE . . . . . 0.462 ' O ' HG23 ' A' ' 448' ' ' VAL . 36.1 m-85 -64.75 -45.19 87.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 45.1 tp10 -51.74 -37.63 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.025 -178.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 446' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 443' ' ' ILE . 69.5 p -61.61 -47.18 86.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.05 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.5 ' N ' HD23 ' A' ' 447' ' ' LEU . 4.5 mt -57.78 -52.26 66.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 179.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.582 HG22 HG21 ' A' ' 462' ' ' VAL . 1.4 t -70.88 -35.89 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.17 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -66.63 -48.2 70.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.879 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -71.86 -43.16 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -51.84 -48.98 49.75 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -78.76 -30.07 45.46 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.059 -178.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -78.31 -59.59 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.65 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.78 -41.45 97.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.754 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.585 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.3 mt -89.88 -10.75 44.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.719 -178.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 58.5 54.97 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.426 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 4.8 t -94.24 156.4 16.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.66 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -80.86 -50.36 9.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.446 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 553' ' ' HIS . 25.0 ttt180 -142.04 136.52 30.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.596 -178.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.58 131.47 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.455 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.99 141.58 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.774 -176.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.582 HG21 HG22 ' A' ' 448' ' ' VAL . 2.3 t -133.58 130.12 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.419 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 18.6 p90 -137.37 159.23 42.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.717 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -101.6 142.23 33.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.437 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 465' ' ' PHE . . . . . 0.443 ' CE2' HD21 ' A' ' 546' ' ' LEU . 1.5 m-85 -80.59 144.27 32.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.626 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -111.61 -171.07 1.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.483 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -81.26 -15.42 55.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.421 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 468' ' ' ASN . . . . . 0.645 ' O ' HG23 ' A' ' 470' ' ' VAL . 83.0 m-20 -102.48 27.12 7.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.557 -178.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 469' ' ' TYR . . . . . 0.488 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.6 m-85 55.24 20.27 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.358 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 470' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 468' ' ' ASN . 65.8 t -107.11 126.77 63.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.608 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.431 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -77.72 173.97 54.91 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -177.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 472' ' ' THR . . . . . 0.428 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 70.5 m -147.26 106.3 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.593 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.19 83.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.688 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.559 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 33.4 m -78.15 -20.81 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 475' ' ' ALA . . . . . 0.544 ' HB2' ' NE2' ' A' ' 441' ' ' GLN . . . -154.82 142.71 20.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.378 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -158.56 154.18 26.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.68 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 40.4 m -138.87 128.74 25.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.533 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.52 142.74 37.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.588 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.723 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -59.01 171.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.77 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -73.99 126.26 30.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.482 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 113.03 -11.48 24.69 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 482' ' ' TRP . . . . . 0.723 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 43.8 m95 -100.87 168.05 9.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 178.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -86.44 127.9 2.91 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.027 2.485 . . . . 0.0 111.911 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -89.49 147.4 24.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.728 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -111.11 -108.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.631 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.54 ' NH2' ' OE1' ' A' ' 441' ' ' GLN . 0.0 OUTLIER 68.63 122.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.723 -178.439 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 487' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 10.1 t0 79.07 14.56 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -102.85 145.82 29.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 489' ' ' VAL . 33.0 m -104.48 130.58 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.641 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 79.4 mt -99.88 117.08 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.715 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -110.57 92.21 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.274 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.77 ' OD2' ' H28' ' A' ' 600' ' ' VRB . 7.1 m-20 -128.82 75.86 79.57 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.731 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 493' ' ' PRO . . . . . 0.506 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 37.5 Cg_endo -67.13 30.32 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.708 2.272 . . . . 0.0 112.206 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.759 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -92.82 -80.6 0.37 Allowed 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.074 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 495' ' ' PHE . . . . . 0.759 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 19.7 p90 -75.3 -52.58 10.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.361 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.661 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 21.2 ptt180 -51.07 -13.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.628 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 497' ' ' GLU . . . . . 0.468 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 65.0 tt0 -90.89 -58.0 2.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.575 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 498' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 494' ' ' CYS . 2.1 m80 -94.19 -41.31 9.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.492 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.462 ' N ' ' O ' ' A' ' 495' ' ' PHE . 9.8 m95 -74.42 14.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.485 -177.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 1.024 HG13 ' H ' ' A' ' 501' ' ' GLU . 3.6 p -65.13 -69.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.517 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 1.024 ' H ' HG13 ' A' ' 500' ' ' VAL . 86.6 tt0 -48.1 -37.94 16.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -58.32 -44.94 88.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.557 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 503' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 506' ' ' GLY . 3.7 m-85 -61.69 -40.43 94.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.569 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.63 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.4 mmt85 -50.24 -35.32 26.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 178.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -76.86 -9.39 58.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.661 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 506' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 89.11 35.41 8.16 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -77.44 156.58 31.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.617 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 566' ' ' ILE . 4.7 pt -137.48 155.29 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.45 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 509' ' ' GLN . . . . . 0.568 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 0.9 OUTLIER -129.97 120.22 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.678 177.514 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.813 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.83 114.25 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.337 -178.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.712 HG21 ' HB3' ' A' ' 517' ' ' ALA . 0.2 OUTLIER -128.76 109.38 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.708 177.338 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 99.6 m -62.19 -56.86 14.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.51 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' A' ' 515' ' ' PHE . 42.9 t0 -110.68 99.85 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.607 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.552 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 35.2 pt -52.12 -9.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.356 -177.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 515' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' A' ' 513' ' ' ASP . 24.2 m-85 -82.05 5.97 17.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.401 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -116.98 -16.88 10.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.654 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' ALA . . . . . 0.712 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -131.25 115.42 16.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 518' ' ' GLY . . . . . 0.718 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 105.02 44.86 1.44 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.43 33.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.66 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.779 HG21 ' H13' ' A' ' 600' ' ' VRB . 28.0 p -75.92 -173.56 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.456 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -112.51 -62.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.357 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' CYS . . . . . . . . . . . . . 41.9 t -55.48 -34.69 64.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.257 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.568 ' CA ' ' H12' ' A' ' 600' ' ' VRB . 6.9 t60 -63.49 -54.4 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.448 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 11.9 mt -51.2 -46.78 62.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.555 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -71.94 -9.73 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.749 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -91.82 -29.65 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.625 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 527' ' ' LEU . 11.0 mp -95.27 -30.14 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.641 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.569 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 0.0 OUTLIER -43.31 -57.46 5.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.649 -179.729 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 20.7 Cg_endo -61.39 -26.23 81.11 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.804 2.336 . . . . 0.0 112.067 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 21.3 mt -87.62 -11.44 48.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.536 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 531' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 531' ' ' LYS . 3.4 ttmm 54.36 28.47 9.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 10.0 t -75.36 124.83 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.58 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 77.5 mtt-85 -127.57 74.95 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.54 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.552 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 170.85 -171.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.225 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.57 99.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.09 178.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 536' ' ' LEU . . . . . 0.69 HD13 ' CD1' ' A' ' 561' ' ' TRP . 14.7 tp -132.59 111.61 11.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.16 177.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 537' ' ' VAL . 27.3 m -121.32 120.09 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.181 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.64 ' O ' HG13 ' A' ' 538' ' ' VAL . 14.5 p -117.68 114.73 37.65 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.034 177.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.22 135.15 49.02 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.813 2.342 . . . . 0.0 112.298 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.505 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 72.7 mmm -116.58 108.0 15.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.249 175.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 8.7 t -118.2 127.75 75.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.942 0.401 . . . . 0.0 110.942 -175.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 545' ' ' GLN . 96.7 mt -114.85 139.01 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.936 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 59.6 t0 44.44 32.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.081 0.467 . . . . 0.0 109.799 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 22.0 t0 73.04 26.3 2.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.484 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 542' ' ' ILE . 94.7 mt-30 -129.38 137.78 51.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.593 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 546' ' ' LEU . . . . . 0.63 ' CB ' HH21 ' A' ' 504' ' ' ARG . 13.3 tp -74.27 94.06 2.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.501 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.587 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -86.05 -39.42 16.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.483 -177.016 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 548' ' ' GLY . . . . . 0.587 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -154.51 -179.47 29.8 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -176.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 43.9 tp -152.29 135.71 15.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.351 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.536 ' CD1' HG22 ' A' ' 462' ' ' VAL . 25.6 tp -106.85 118.48 36.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.664 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.463 HG22 ' NE2' ' A' ' 553' ' ' HIS . 6.6 mt -123.44 134.94 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.582 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.1 142.68 41.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.562 ' CE1' ' H32' ' A' ' 600' ' ' VRB . 31.2 m80 -137.86 138.31 38.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.677 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -90.28 112.82 24.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.734 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.522 ' O ' ' CH2' ' A' ' 482' ' ' TRP . . . -81.13 -11.13 59.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.267 -178.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 68.4 p -99.04 -73.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.305 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.71 158.46 49.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -47.68 158.64 0.68 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.879 2.386 . . . . 0.0 112.062 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.58 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 48.8 ttt85 -152.25 148.35 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -107.75 108.91 20.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.478 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.813 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.3 OUTLIER -84.95 122.66 29.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.717 179.203 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -73.01 159.76 33.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.378 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -57.1 -33.28 67.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.437 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.45 -37.98 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.473 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.95 -32.53 73.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.575 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.561 ' CD1' HD11 ' A' ' 536' ' ' LEU . 17.5 mm -67.14 -46.97 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.596 177.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -50.6 -47.81 57.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.528 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -60.66 -41.68 95.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.526 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.585 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 5.2 m-85 -57.83 -42.94 85.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.462 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 67.0 m -60.39 -52.08 66.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.304 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.432 ' O ' ' OG ' ' A' ' 574' ' ' SER . 96.1 mt-10 -63.5 -42.9 98.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.354 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 572' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 575' ' ' THR . 44.5 tp -61.43 -54.21 46.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.491 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.505 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -63.9 -40.39 96.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 574' ' ' SER . . . . . 0.589 ' O ' ' OG ' ' A' ' 577' ' ' SER . 93.9 p -55.32 -37.48 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.647 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 575' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 572' ' ' LEU . 0.7 OUTLIER -53.43 -40.21 64.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.674 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 576' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 575' ' ' THR . . . -62.49 -47.48 89.08 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 577' ' ' SER . . . . . 0.589 ' OG ' ' O ' ' A' ' 574' ' ' SER . 0.1 OUTLIER -51.89 -41.09 61.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.732 0.301 . . . . 0.0 110.691 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 578' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 574' ' ' SER . 10.7 mt -54.75 -43.41 72.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.621 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.616 HG11 HG21 ' A' ' 443' ' ' ILE . 61.2 t -66.06 -52.63 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.596 -179.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.515 ' CD1' ' CE2' ' A' ' 547' ' ' PHE . 37.0 mt -62.98 -29.94 71.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -58.19 -41.02 83.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.604 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -68.52 -31.99 71.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.53 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.439 HD12 ' OE1' ' A' ' 588' ' ' GLN . 41.7 tp -61.62 -35.9 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.605 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -69.26 -13.5 62.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.662 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -95.72 128.37 42.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.03 -22.16 66.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.527 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -50.6 -31.69 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.597 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 588' ' ' GLN . . . . . 0.439 ' OE1' HD12 ' A' ' 583' ' ' LEU . 50.4 tt0 -55.37 -31.75 62.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.588 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 70.1 p -62.3 -19.93 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.562 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 13.4 pt -141.11 62.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -67.96 -34.41 76.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.58 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 23.8 m -58.67 -37.05 75.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.569 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 8.2 tp . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.539 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 600' ' ' VRB . . . . . 0.779 ' H13' HG21 ' A' ' 520' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 16.4 mmt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . 41.81 27.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -55.42 -71.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 33.2 m -44.63 149.16 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -129.88 158.32 39.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.476 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 53.6 mt -58.79 -34.13 71.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.487 ' C ' ' H ' ' A' ' 437' ' ' LEU . 29.9 t -55.61 -26.54 44.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.608 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -74.16 23.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.563 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.487 ' H ' ' C ' ' A' ' 435' ' ' SER . 54.0 tp -104.08 148.26 26.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 437' ' ' LEU . 48.9 ttt-85 75.58 15.35 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.614 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -87.38 30.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.487 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 3.9 ptp180 -54.96 -29.21 56.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.646 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 441' ' ' GLN . . . . . 0.597 ' NE2' ' HB2' ' A' ' 475' ' ' ALA . 67.9 tp60 -68.38 -29.85 68.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.65 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -67.09 -56.31 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.627 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' ILE . . . . . 0.586 HG21 HG11 ' A' ' 579' ' ' VAL . 13.7 pt -48.66 -39.42 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.746 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 444' ' ' PHE . . . . . 0.43 ' N ' HG13 ' A' ' 443' ' ' ILE . 30.7 m-85 -60.26 -48.91 79.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 97.9 mt-10 -51.61 -37.37 49.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 61.3 m -60.49 -44.69 95.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.013 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.547 ' N ' HD23 ' A' ' 447' ' ' LEU . 3.4 mt -61.99 -53.73 51.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.151 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.659 HG22 HG21 ' A' ' 462' ' ' VAL . 1.6 t -69.31 -39.19 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.14 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -66.91 -47.15 72.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.779 -178.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -71.37 -43.36 67.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.872 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' GLY . . . . . 0.434 ' O ' ' HG ' ' A' ' 455' ' ' LEU . . . -53.14 -46.91 61.8 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' ARG . . . . . 0.418 HH11 ' HB3' ' A' ' 452' ' ' ARG . 4.6 ptm85 -78.94 -26.39 43.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.734 0.302 . . . . 0.0 111.074 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -74.5 -57.06 4.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.696 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.35 -44.48 71.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.718 -177.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.593 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.6 mt -81.68 -16.69 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.745 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 456' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 60.28 54.4 3.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.382 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 19.3 t -92.21 161.12 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.662 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -86.35 -50.95 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.447 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 553' ' ' HIS . 42.8 ttt180 -142.34 139.46 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 -178.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.23 135.83 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.496 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 16.0 mt -114.88 137.8 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.918 0.389 . . . . 0.0 110.785 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.659 HG21 HG22 ' A' ' 448' ' ' VAL . 2.9 t -133.15 122.82 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.427 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 463' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 26.6 p90 -140.63 141.39 35.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.711 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -82.34 148.59 28.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.395 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 465' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.3 m-85 -82.06 149.35 28.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.666 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 42.4 t0 -110.68 -173.99 2.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.534 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 467' ' ' ASP . . . . . 0.511 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 85.5 m-20 -80.17 -14.89 58.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.482 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 468' ' ' ASN . . . . . 0.423 ' O ' HG23 ' A' ' 470' ' ' VAL . 94.3 m-20 -104.35 29.33 6.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.449 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 469' ' ' TYR . . . . . 0.562 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 40.7 m-85 55.79 18.26 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.445 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 470' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 468' ' ' ASN . 54.3 t -108.96 129.92 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.603 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.407 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -82.87 174.32 52.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 -177.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 90.0 m -148.05 109.26 4.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 0.0 110.575 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 473' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 488' ' ' GLN . 48.6 t -68.01 95.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.697 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 8.8 p -91.86 -21.92 6.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.421 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 475' ' ' ALA . . . . . 0.597 ' HB2' ' NE2' ' A' ' 441' ' ' GLN . . . -153.68 138.4 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.434 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -155.63 151.29 27.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.668 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 18.7 m -136.21 124.65 23.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.11 143.46 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 -178.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.608 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -60.4 171.24 1.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.757 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -73.2 127.85 33.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.467 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.8 -9.63 25.57 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 482' ' ' TRP . . . . . 0.608 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 32.6 m95 -105.03 167.96 9.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.923 0.392 . . . . 0.0 110.822 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -84.8 129.85 4.15 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.033 2.489 . . . . 0.0 111.912 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -97.69 147.53 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.78 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -114.47 -96.17 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.607 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.555 HH21 ' CD ' ' A' ' 441' ' ' GLN . 0.0 OUTLIER 67.08 31.91 6.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.697 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 487' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 487' ' ' ASP . 1.0 OUTLIER 168.0 22.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.521 179.107 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.468 ' O ' HG23 ' A' ' 473' ' ' VAL . 85.2 mt-30 -104.31 144.52 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.551 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 6.0 p -105.41 134.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.62 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 80.3 mt -107.95 130.67 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.669 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 491' ' ' GLU . . . . . 0.448 ' HA ' HH12 ' A' ' 496' ' ' ARG . 94.1 mt-10 -124.55 94.87 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.333 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.743 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 9.5 m-20 -131.52 81.77 63.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.681 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 493' ' ' PRO . . . . . 0.574 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 59.4 Cg_endo -73.96 36.65 0.41 Allowed 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.746 2.297 . . . . 0.0 112.162 -177.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.663 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -96.86 -76.76 0.5 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.258 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 495' ' ' PHE . . . . . 0.663 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 35.2 p90 -76.44 -53.78 7.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.918 0.389 . . . . 0.0 110.31 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.743 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 26.4 ptt180 -50.44 -13.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.633 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 497' ' ' GLU . . . . . 0.545 ' OE1' ' CD2' ' A' ' 498' ' ' HIS . 5.6 tm-20 -91.57 -57.87 2.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.514 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 498' ' ' HIS . . . . . 0.545 ' CD2' ' OE1' ' A' ' 497' ' ' GLU . 2.1 m80 -95.23 -43.73 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.442 -177.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 499' ' ' TRP . . . . . 0.402 ' N ' ' O ' ' A' ' 495' ' ' PHE . 10.9 m95 -70.56 5.18 1.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.539 -177.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 1.029 HG13 ' H ' ' A' ' 501' ' ' GLU . 5.2 p -56.73 -67.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 1.029 ' H ' HG13 ' A' ' 500' ' ' VAL . 86.2 tt0 -47.48 -41.16 20.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.579 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.18 88.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.484 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 503' ' ' TYR . . . . . 0.448 ' OH ' HG21 ' A' ' 537' ' ' VAL . 3.7 m-85 -61.97 -41.16 97.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.634 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.5 mmt85 -49.96 -33.96 19.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -78.32 -9.96 59.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.725 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 90.15 35.53 7.54 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -79.24 157.85 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.574 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.579 HD13 HG21 ' A' ' 566' ' ' ILE . 4.7 pt -139.64 158.78 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.477 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 509' ' ' GLN . . . . . 0.838 HE22 ' CG ' ' A' ' 535' ' ' ASN . 0.3 OUTLIER -132.24 123.36 26.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.665 177.359 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 510' ' ' ALA . . . . . 0.787 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.98 112.85 21.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.354 -177.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.55 HG21 ' CB ' ' A' ' 517' ' ' ALA . 0.2 OUTLIER -129.46 108.43 10.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.688 177.528 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 512' ' ' THR . . . . . 0.473 HG22 ' HB3' ' A' ' 558' ' ' PRO . 85.5 m -61.75 -61.93 2.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.473 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 513' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 515' ' ' PHE . 39.6 t0 -103.71 98.99 8.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.635 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.62 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 44.5 pt -54.4 -10.19 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.365 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 515' ' ' PHE . . . . . 0.443 ' H ' ' C ' ' A' ' 513' ' ' ASP . 16.2 m-85 -74.37 -13.57 60.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.448 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.549 ' HE3' HG22 ' A' ' 511' ' ' THR . 10.8 pttp -100.38 -10.89 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.516 178.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 517' ' ' ALA . . . . . 0.55 ' CB ' HG21 ' A' ' 511' ' ' THR . . . -132.44 116.1 16.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.665 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 518' ' ' GLY . . . . . 0.727 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 102.65 44.48 1.8 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.31 32.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 110.667 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.727 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.2 OUTLIER -77.51 -175.58 3.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.598 ' H ' HG22 ' A' ' 520' ' ' THR . 18.6 pt-20 -108.69 -48.41 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.277 -178.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 522' ' ' CYS . . . . . 0.634 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 9.9 p -70.88 -44.75 65.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.243 -177.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.634 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 50.1 t60 -57.65 -54.35 47.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.419 -178.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.484 HD21 ' O ' ' A' ' 518' ' ' GLY . 23.7 mt -54.65 -46.54 73.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -73.04 -10.4 59.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.743 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -90.09 -29.83 18.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.589 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 527' ' ' LEU . 10.0 mp -98.35 -8.3 27.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 528' ' ' ARG . . . . . 0.585 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 3.6 ttp85 -65.2 -45.5 71.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.6 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 11.2 Cg_exo -70.53 -28.51 21.47 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.806 2.337 . . . . 0.0 112.091 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 36.3 mt -84.36 -13.92 50.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.506 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.6 tptm 67.1 21.81 10.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.521 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 19.1 t -70.06 114.89 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.594 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 35.1 mtp180 -125.14 74.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.62 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 173.11 -170.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.192 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 535' ' ' ASN . . . . . 0.838 ' CG ' HE22 ' A' ' 509' ' ' GLN . 16.2 t-20 -173.59 98.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.991 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 536' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 20.0 tp -136.99 113.58 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.069 177.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 537' ' ' VAL . 33.9 m -117.85 124.74 73.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.212 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.674 ' O ' HD12 ' A' ' 549' ' ' LEU . 97.3 t -119.73 113.12 34.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.025 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.75 133.91 35.76 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.798 2.332 . . . . 0.0 112.371 -174.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.544 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 71.7 mmm -116.82 112.43 21.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.207 175.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.4 t -120.6 124.55 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.959 -176.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.6 mt -113.57 139.96 36.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.89 177.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 44.16 34.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.019 0.437 . . . . 0.0 109.853 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' ASP . . . . . 0.529 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 0.5 OUTLIER 70.8 26.36 3.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.44 179.138 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 545' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 542' ' ' ILE . 91.3 mt-30 -129.51 138.39 51.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 546' ' ' LEU . . . . . 0.634 ' CB ' HH21 ' A' ' 504' ' ' ARG . 11.1 tp -74.47 94.03 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.529 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.585 ' CE2' HD22 ' A' ' 580' ' ' LEU . 0.0 OUTLIER -86.64 -37.42 18.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.566 -177.558 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 548' ' ' GLY . . . . . 0.557 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -156.49 -177.62 29.82 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -176.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 538' ' ' VAL . 12.0 tp -154.42 137.79 15.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.308 . . . . 0.0 110.304 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.587 ' CD1' HG22 ' A' ' 462' ' ' VAL . 27.0 tp -105.73 117.77 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.694 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.618 HG22 ' NE2' ' A' ' 553' ' ' HIS . 2.1 mt -123.05 134.07 67.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 552' ' ' ALA . . . . . 0.449 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -119.71 147.21 44.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.58 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.618 ' NE2' HG22 ' A' ' 551' ' ' ILE . 1.0 OUTLIER -149.81 149.59 30.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.682 178.55 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.505 ' NE2' ' N ' ' A' ' 554' ' ' GLN . 2.6 mp0 -89.96 115.94 27.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.754 177.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -76.1 -13.3 60.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.336 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 16.9 t -95.21 -71.88 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.307 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -143.32 154.73 61.04 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.458 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' PRO . . . . . 0.473 ' HB3' HG22 ' A' ' 512' ' ' THR . 75.9 Cg_exo -43.69 164.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.949 2.433 . . . . 0.0 112.002 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.587 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 19.0 ttt-85 -160.67 152.94 20.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.725 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 560' ' ' GLN . . . . . 0.406 ' N ' ' CG ' ' A' ' 559' ' ' ARG . 51.5 tp60 -109.25 109.68 20.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.412 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 561' ' ' TRP . . . . . 0.787 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.1 OUTLIER -82.1 118.76 23.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.734 178.595 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -70.35 159.04 34.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.345 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -56.93 -35.56 69.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 564' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.64 -40.29 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.443 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.423 ' OE1' HD22 ' A' ' 455' ' ' LEU . 77.5 mm-40 -61.59 -32.73 72.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.55 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.579 HG21 HD13 ' A' ' 508' ' ' ILE . 25.8 mm -65.91 -47.44 85.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 177.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -51.46 -48.62 62.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -61.52 -40.78 95.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' PHE . . . . . 0.593 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 5.4 m-85 -57.33 -43.05 83.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.389 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 570' ' ' SER . . . . . 0.476 ' O ' ' OG ' ' A' ' 574' ' ' SER . 15.4 t -59.6 -50.63 73.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.377 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.01 -42.95 99.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.335 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.44 -54.8 38.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.481 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.544 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -66.3 -43.3 86.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.501 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 574' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 570' ' ' SER . 75.3 m -56.46 -34.76 67.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.642 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 41.4 m -55.58 -49.54 72.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.722 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -53.68 -44.23 69.1 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.5 -40.58 59.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.676 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.81 -44.28 94.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.662 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.586 HG11 HG21 ' A' ' 443' ' ' ILE . 40.0 t -73.61 -45.47 50.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.638 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.585 HD22 ' CE2' ' A' ' 547' ' ' PHE . 6.2 tp -57.26 -41.57 79.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.639 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -63.94 -39.13 93.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.634 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -59.41 -47.69 84.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.616 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 45.8 mt -72.85 -39.78 66.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.66 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -61.19 -40.76 95.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.759 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -97.04 130.83 44.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.671 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 6.2 tp -168.48 81.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.471 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -58.8 -31.45 68.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.559 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 588' ' ' GLN . . . . . 0.43 ' CD ' ' N ' ' A' ' 588' ' ' GLN . 26.5 mp0 -74.33 131.84 41.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 44.0 p -111.79 16.18 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.573 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 13.6 pt -140.91 63.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.572 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -65.26 -27.83 68.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 87.8 p -63.88 -34.05 77.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 15.6 tp . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.574 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 600' ' ' VRB . . . . . 0.67 ' H24' ' OD2' ' A' ' 492' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . 0.456 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 1.4 ptp180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.733 0.301 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 35.0 tp60 -69.46 -30.76 68.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.703 -177.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.0 -55.88 9.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.609 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . 0.487 HG21 HG11 ' A' ' 579' ' ' VAL . 17.9 pt -48.1 -37.65 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.725 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 29.4 m-85 -60.9 -45.75 93.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.997 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 82.8 tt0 -52.83 -36.61 58.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.045 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 97.5 m -60.31 -49.29 78.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.033 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.554 ' N ' HD23 ' A' ' 447' ' ' LEU . 2.3 mt -58.93 -51.57 69.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.645 HG22 HG21 ' A' ' 462' ' ' VAL . 2.5 t -70.93 -35.53 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.14 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -64.03 -45.86 87.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -71.6 -44.6 64.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.789 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -50.59 -48.92 41.64 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . 0.554 ' NH1' ' OG ' ' A' ' 477' ' ' SER . 22.2 ptt180 -77.67 -30.83 52.2 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.093 -178.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -78.13 -57.91 3.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.768 0.318 . . . . 0.0 110.775 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.36 -42.0 98.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.679 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.605 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.8 mt -89.82 -12.81 38.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.805 -178.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 58.32 54.78 5.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.4 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 75.2 m -94.1 158.37 15.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.627 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -80.84 -52.47 7.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.501 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.482 ' O ' ' O ' ' A' ' 553' ' ' HIS . 26.1 ttt180 -137.08 138.76 40.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.538 -178.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 15.2 m -145.49 130.98 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.436 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 16.4 tt -117.71 138.23 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.718 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.645 HG21 HG22 ' A' ' 448' ' ' VAL . 2.6 t -134.91 128.24 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.4 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.54 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 20.6 p90 -138.95 142.85 38.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.713 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -84.48 146.79 27.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.498 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . 0.466 ' CE2' HD21 ' A' ' 546' ' ' LEU . 1.8 m-85 -82.08 147.4 29.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.641 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -111.85 -170.74 1.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.502 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 53.2 p30 -81.44 -15.64 54.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.425 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . 0.687 ' O ' HG23 ' A' ' 470' ' ' VAL . 84.9 m-20 -102.77 28.39 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . 0.503 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 8.3 m-85 54.94 19.85 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.335 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 468' ' ' ASN . 59.2 t -108.49 128.23 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.627 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -79.56 176.11 54.8 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . 0.411 ' N ' ' HB2' ' A' ' 463' ' ' TYR . 53.8 m -148.2 109.05 4.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.598 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 19.0 t -68.35 86.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.645 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.55 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 33.8 m -82.62 -22.63 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.361 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.25 134.35 17.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.381 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 485' ' ' ALA . 55.4 tt0 -146.04 146.3 30.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.652 178.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . 0.554 ' OG ' ' NH1' ' A' ' 452' ' ' ARG . 8.5 t -134.66 119.44 18.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.589 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . 0.439 HG12 ' HG3' ' A' ' 459' ' ' ARG . 2.2 m -135.71 143.44 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.507 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.722 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -59.33 171.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.698 177.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -74.35 127.47 33.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.46 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.41 -13.04 25.77 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . 0.722 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 50.6 m95 -96.74 166.24 14.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 110.827 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -85.36 127.42 3.33 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.029 2.486 . . . . 0.0 111.902 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -94.69 148.12 22.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.657 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . 0.448 ' N ' ' OE1' ' A' ' 476' ' ' GLU . . . -114.63 -97.57 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.558 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 487' ' ' ASP . 0.0 OUTLIER 61.1 123.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.648 -178.333 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 10.5 t0 80.11 16.68 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.589 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -105.39 147.24 28.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 489' ' ' VAL . 33.9 m -102.66 128.44 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . 0.417 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 8.9 mm -92.97 110.43 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.706 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . 0.408 ' HA ' HH12 ' A' ' 496' ' ' ARG . 95.8 mt-10 -107.95 93.43 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.29 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . 0.736 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 0.2 OUTLIER -135.65 77.31 52.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 179.124 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 493' ' ' PRO . . . . . 0.563 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 53.6 Cg_endo -71.84 39.31 0.38 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.685 2.257 . . . . 0.0 112.197 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . 0.756 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -98.9 -74.93 0.57 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 495' ' ' PHE . . . . . 0.756 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 35.0 p90 -77.49 -52.73 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.389 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . 0.736 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 23.6 ptt180 -51.2 -13.16 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.598 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' GLU . . . . . 0.482 ' OE1' ' CD2' ' A' ' 498' ' ' HIS . 5.6 tm-20 -90.54 -58.24 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.538 -177.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' HIS . . . . . 0.482 ' CD2' ' OE1' ' A' ' 497' ' ' GLU . 4.9 m80 -96.56 -46.73 6.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.455 -177.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' TRP . . . . . 0.516 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 7.4 m95 -63.93 -7.96 9.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -177.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 1.011 HG13 ' H ' ' A' ' 501' ' ' GLU . 5.9 p -46.58 -67.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.485 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 1.011 ' H ' HG13 ' A' ' 500' ' ' VAL . 22.3 pt-20 -47.53 -38.7 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.584 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -61.55 -43.6 98.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.5 m-85 -61.81 -41.11 97.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.667 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.578 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.4 mmt85 -50.1 -34.97 23.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.739 177.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -77.5 -10.15 59.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.701 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 91.08 35.65 7.01 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -78.52 154.56 30.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.773 0.32 . . . . 0.0 110.649 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.627 ' CD1' HD13 ' A' ' 566' ' ' ILE . 4.4 pt -137.4 156.94 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.461 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . 0.609 ' NE2' ' ND2' ' A' ' 535' ' ' ASN . 0.8 OUTLIER -130.36 119.41 22.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.638 177.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.822 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -115.81 113.8 23.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.378 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . 0.723 HG21 ' HB3' ' A' ' 517' ' ' ALA . 0.3 OUTLIER -129.06 111.82 13.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.637 177.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 98.8 m -64.21 -57.32 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' A' ' 515' ' ' PHE . 40.0 t0 -107.98 98.98 8.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.562 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.602 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 44.9 pt -53.61 -10.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.415 -177.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . 0.446 ' H ' ' C ' ' A' ' 513' ' ' ASP . 17.6 m-85 -74.98 -10.8 59.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.469 -177.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -102.09 -15.83 16.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . 0.723 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -130.25 116.81 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.575 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . 0.695 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 108.06 44.17 1.22 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.01 30.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.704 0.287 . . . . 0.0 110.618 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.695 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.1 OUTLIER -77.37 -175.21 3.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.52 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.431 ' N ' ' OG1' ' A' ' 520' ' ' THR . 88.5 tt0 -103.86 -72.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.355 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 17.6 p -54.36 -37.18 64.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.179 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.456 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 53.1 t60 -56.61 -56.62 19.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.459 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.482 HD21 ' O ' ' A' ' 518' ' ' GLY . 24.0 mt -55.92 -44.99 78.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.481 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -71.07 -17.37 62.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.756 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . 0.42 HE21 ' HB3' ' A' ' 526' ' ' GLN . 4.4 tt0 -83.55 -31.45 26.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.646 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 527' ' ' LEU . 10.8 mp -93.25 -32.94 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.664 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.568 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 11.8 mtt85 -43.73 -58.95 3.93 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 11.9 Cg_endo -56.22 -26.31 60.38 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.804 2.336 . . . . 0.0 112.025 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 34.5 mt -90.24 -9.65 47.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.516 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 531' ' ' LYS . 1.1 ttmt 57.21 26.77 12.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.94 120.2 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.643 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . 0.526 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 74.9 mtt-85 -125.38 74.44 1.39 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.942 0.401 . . . . 0.0 110.622 178.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.602 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.44 -171.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.297 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . 0.609 ' ND2' ' NE2' ' A' ' 509' ' ' GLN . 17.1 t-20 -174.32 100.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.077 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 561' ' ' TRP . 58.2 tp -133.68 113.27 12.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.17 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 537' ' ' VAL . 30.9 m -116.52 120.07 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.258 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.65 ' O ' HD12 ' A' ' 549' ' ' LEU . 2.2 t -115.87 111.48 43.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.955 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.76 131.86 30.72 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.792 2.328 . . . . 0.0 112.334 -175.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.652 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 78.0 mmm -116.72 111.93 20.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.154 176.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.01 120.55 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 0.0 110.979 -175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.0 mt -109.83 139.76 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.873 177.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 57.0 t0 44.22 33.47 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.076 0.465 . . . . 0.0 109.878 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 20.9 t0 71.6 25.73 3.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.443 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 542' ' ' ILE . 23.0 mt-30 -128.85 135.91 49.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.579 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . 0.578 ' CB ' HH21 ' A' ' 504' ' ' ARG . 14.0 tp -71.29 93.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.628 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -84.47 -36.84 22.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.538 -176.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 540' ' ' MET . . . -159.45 -178.27 33.29 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -176.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 538' ' ' VAL . 18.3 tp -152.86 134.55 14.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.672 0.272 . . . . 0.0 110.391 -178.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 549' ' ' LEU . 24.8 tp -100.95 116.52 33.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.621 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.604 HG22 ' NE2' ' A' ' 553' ' ' HIS . 5.1 mt -120.48 130.68 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.531 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -112.46 143.75 43.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.604 ' NE2' HG22 ' A' ' 551' ' ' ILE . 33.4 m80 -140.37 136.68 33.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.701 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.624 ' NE2' ' NH1' ' A' ' 559' ' ' ARG . 23.1 mp0 -93.65 102.15 14.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.79 85.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.34 -177.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 557' ' ' GLU . 89.6 p -63.79 -73.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.275 -177.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.438 ' N ' ' OG ' ' A' ' 556' ' ' SER . 0.3 OUTLIER -149.65 161.92 30.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.476 -178.776 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -46.34 157.04 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.914 2.409 . . . . 0.0 112.002 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.649 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 22.7 ttt-85 -154.66 153.26 31.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.636 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -113.06 111.48 22.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.479 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.822 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.0 OUTLIER -81.55 116.04 21.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.75 178.184 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -67.32 161.21 25.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.353 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.28 -35.17 69.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.384 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . 0.522 HG22 HE21 ' A' ' 568' ' ' GLN . 96.9 mt -65.25 -37.8 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.471 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.11 -33.85 76.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.495 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.627 HD13 ' CD1' ' A' ' 508' ' ' ILE . 90.6 mt -67.88 -44.77 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.587 177.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -52.55 -48.36 66.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.514 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.522 HE21 HG22 ' A' ' 564' ' ' ILE . 43.1 mt-30 -60.24 -41.57 93.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.605 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 6.2 m-85 -57.43 -42.55 82.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.361 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 574' ' ' SER . 20.0 t -59.75 -50.71 72.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.358 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 575' ' ' THR . 96.0 mt-10 -65.87 -42.64 90.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.304 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . 0.594 ' O ' ' OG1' ' A' ' 575' ' ' THR . 7.9 tp -61.89 -51.3 68.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.542 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.652 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -68.95 -41.3 78.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.537 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 570' ' ' SER . 19.8 t -55.87 -43.13 76.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.621 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . 0.594 ' OG1' ' O ' ' A' ' 572' ' ' LEU . 7.9 p -54.61 -39.62 68.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.671 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -58.89 -47.15 92.04 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.67 -41.42 55.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.318 . . . . 0.0 110.745 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.9 mt -57.76 -40.35 79.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.487 HG11 HG21 ' A' ' 443' ' ' ILE . 42.1 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . 0.532 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 3.1 ptp180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.861 0.362 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 3.7 tm0? -69.1 -31.63 70.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.693 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 445' ' ' GLU . . . -70.04 -57.21 5.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -177.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . 0.517 ' O ' ' OG1' ' A' ' 446' ' ' THR . 14.1 pt -43.42 -37.03 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.712 -178.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 42.3 m-85 -67.62 -39.19 84.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 178.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 442' ' ' ALA . 43.0 tp10 -54.53 -41.63 69.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.161 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 443' ' ' ILE . 17.2 p -58.51 -53.8 54.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.04 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.597 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.0 OUTLIER -55.41 -51.06 68.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.162 179.27 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 58.0 t -71.16 -35.66 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.11 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 445' ' ' GLU . . . -64.11 -48.0 77.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.763 0.316 . . . . 0.0 110.826 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -72.54 -37.97 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -55.31 -50.96 57.45 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . 0.494 ' NH1' ' OG ' ' A' ' 477' ' ' SER . 9.2 ptm180 -77.72 -30.41 51.72 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.059 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.65 -56.77 4.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.701 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.9 mt -66.14 -42.3 89.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.709 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.575 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.1 mt -88.88 -14.08 37.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.734 -177.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 60.57 55.71 3.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.382 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 12.8 t -94.42 157.52 15.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.661 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -83.07 -53.93 5.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.48 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.482 ' O ' ' O ' ' A' ' 553' ' ' HIS . 7.4 ttt180 -140.24 140.02 35.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.557 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 28.5 m -146.44 132.87 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.493 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 35.5 mt -113.3 137.43 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.559 HG22 ' CD1' ' A' ' 550' ' ' LEU . 2.3 t -134.82 128.44 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.449 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.51 ' CD2' HD12 ' A' ' 490' ' ' ILE . 25.6 p90 -142.41 142.44 32.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.691 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -82.61 145.98 29.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.455 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -82.04 146.6 29.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.642 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -111.48 -171.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.546 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -80.7 -15.74 55.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.457 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . 0.69 ' O ' HG23 ' A' ' 470' ' ' VAL . 88.5 m-20 -102.05 27.33 6.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.52 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . 0.483 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.1 m-85 55.09 19.06 2.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.386 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 468' ' ' ASN . 58.1 t -108.5 127.27 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.551 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.434 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -77.68 174.08 54.86 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -177.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 84.8 m -146.74 106.07 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.782 0.325 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.96 96.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.649 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 11.4 p -96.27 -18.89 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.387 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -149.62 130.26 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.408 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . 0.416 ' H ' ' HD3' ' A' ' 486' ' ' ARG . 48.9 tt0 -147.81 145.26 28.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.648 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . 0.494 ' OG ' ' NH1' ' A' ' 452' ' ' ARG . 45.5 t -134.5 121.34 20.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.615 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . 0.409 HG12 ' HG3' ' A' ' 459' ' ' ARG . 1.6 m -134.08 140.01 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.582 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.701 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -57.31 171.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.709 178.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -74.03 126.63 30.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.404 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.68 -9.73 25.81 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . 0.701 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 41.7 m95 -101.96 167.06 11.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.812 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -86.85 130.13 3.06 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.965 2.443 . . . . 0.0 111.966 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -95.73 149.5 21.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.693 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . 0.409 ' N ' ' OE1' ' A' ' 476' ' ' GLU . . . -113.44 -95.59 0.45 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.426 ' HG3' HH11 ' A' ' 486' ' ' ARG . 32.8 mmm-85 62.17 123.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.75 -178.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 487' ' ' ASP . 0.4 OUTLIER 75.0 18.83 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.199 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -105.02 148.01 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.565 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 489' ' ' VAL . 18.8 m -108.41 132.21 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . 0.51 HD12 ' CD2' ' A' ' 463' ' ' TYR . 50.9 mt -102.13 122.08 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.663 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . 0.417 ' O ' ' OD1' ' A' ' 492' ' ' ASP . 95.0 mt-10 -112.64 96.97 6.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.303 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . 0.745 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 5.3 m-20 -135.84 78.1 49.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.687 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 493' ' ' PRO . . . . . 0.472 ' O ' ' OE1' ' A' ' 497' ' ' GLU . 52.4 Cg_endo -70.41 36.26 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.753 2.302 . . . . 0.0 112.151 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . 0.736 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -95.91 -79.9 0.43 Allowed 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.302 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 495' ' ' PHE . . . . . 0.736 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 34.6 p90 -75.24 -52.39 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 118.141 0.428 . . . . 0.0 110.307 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . 0.745 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 23.7 ptt180 -51.82 -13.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.665 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' GLU . . . . . 0.519 ' OE1' ' NE2' ' A' ' 498' ' ' HIS . 68.3 tt0 -89.41 -58.47 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.478 -177.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' HIS . . . . . 0.519 ' NE2' ' OE1' ' A' ' 497' ' ' GLU . 2.2 m80 -96.95 -46.96 6.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.384 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' TRP . . . . . 0.482 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 7.5 m95 -64.39 -4.84 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 -177.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 1.023 HG13 ' H ' ' A' ' 501' ' ' GLU . 6.4 p -49.12 -67.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.484 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 1.023 ' H ' HG13 ' A' ' 500' ' ' VAL . 24.4 mt-10 -47.46 -39.99 17.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.52 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -59.16 -43.56 92.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.495 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . 0.465 ' OH ' HG21 ' A' ' 537' ' ' VAL . 4.6 m-85 -62.35 -40.25 95.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.626 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.498 ' HE ' ' HB2' ' A' ' 546' ' ' LEU . 24.0 mmt85 -51.93 -31.95 30.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.77 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -79.7 -9.69 59.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.682 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 90.68 35.93 7.08 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -79.55 154.83 28.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.641 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.8 pt -136.78 156.33 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.457 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . 0.585 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 1.1 tm0? -133.64 119.72 19.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.696 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.763 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -114.78 114.35 25.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.357 -178.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . 0.585 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.2 OUTLIER -129.63 108.67 10.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.649 177.468 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 54.5 m -62.78 -61.97 2.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.503 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.6 t0 -102.93 97.73 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.581 -178.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.592 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 46.6 pt -53.58 -10.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.378 -177.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . 0.444 ' H ' ' C ' ' A' ' 513' ' ' ASP . 16.6 m-85 -75.0 -10.56 59.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.434 -178.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . 0.546 ' HE2' HG22 ' A' ' 511' ' ' THR . 22.5 pttt -101.5 -12.04 18.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.593 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . 0.485 ' CB ' HG21 ' A' ' 511' ' ' THR . . . -131.91 116.27 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . 0.708 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 102.99 44.25 1.79 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.35 33.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 110.649 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.708 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.2 OUTLIER -77.65 -174.12 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.598 ' H ' HG22 ' A' ' 520' ' ' THR . 5.1 pt-20 -105.5 -52.17 2.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.359 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 7.9 p -70.65 -41.37 72.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.2 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.591 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 51.2 t60 -55.93 -56.79 16.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.447 -178.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.488 HD21 ' O ' ' A' ' 518' ' ' GLY . 18.8 mt -54.23 -45.59 72.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.504 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 78.3 m-20 -73.02 -10.23 59.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 526' ' ' GLN . 4.3 tt0 -90.63 -32.27 16.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.574 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 527' ' ' LEU . 9.9 mp -93.98 -17.56 22.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.561 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 16.7 mtt85 -59.36 -59.46 13.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.661 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 11.7 Cg_endo -55.81 -29.31 71.46 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.827 2.351 . . . . 0.0 112.092 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 35.2 mt -85.74 -14.11 46.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.549 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.3 tptm 66.12 22.58 11.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.506 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 14.2 t -69.84 116.32 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.631 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 65.5 mtt-85 -124.01 73.57 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.511 178.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.592 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 170.82 -170.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.223 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -174.44 98.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 111.075 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 561' ' ' TRP . 49.6 tp -133.6 112.34 11.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.209 177.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 537' ' ' VAL . 31.8 m -115.3 120.51 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.21 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.621 ' O ' HD12 ' A' ' 549' ' ' LEU . 32.9 t -117.01 111.5 40.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.023 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.71 132.68 33.65 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.844 2.363 . . . . 0.0 112.351 -174.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.455 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 39.2 mmm -115.37 113.64 24.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.211 175.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 13.1 t -121.09 123.58 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.7 mt -109.25 138.37 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.913 177.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 53.5 t0 43.1 31.96 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 109.846 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 75.93 25.62 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.431 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 542' ' ' ILE . 24.6 mt-30 -129.72 134.51 47.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . 0.498 ' HB2' ' HE ' ' A' ' 504' ' ' ARG . 11.8 tp -72.11 95.04 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.612 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -90.13 -33.09 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -177.277 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . 0.612 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -156.22 -178.77 30.7 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 538' ' ' VAL . 14.5 tp -155.07 136.93 14.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.666 0.27 . . . . 0.0 110.422 -178.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.588 ' H ' HD12 ' A' ' 549' ' ' LEU . 28.4 tp -105.27 119.74 39.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.658 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.563 HG22 ' NE2' ' A' ' 553' ' ' HIS . 3.5 mt -124.63 130.41 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -106.93 145.26 32.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.563 ' NE2' HG22 ' A' ' 551' ' ' ILE . 30.0 m80 -142.51 139.27 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.646 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -89.15 118.03 28.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.768 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -83.87 -9.34 58.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.256 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 10.4 p -100.58 -72.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.294 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -145.34 159.1 49.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -46.67 159.65 0.29 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.913 2.409 . . . . 0.0 112.035 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.588 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 41.0 ttt85 -154.17 150.71 28.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.644 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -108.97 107.51 17.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.438 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.763 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.4 OUTLIER -83.72 120.8 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.74 179.368 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -70.96 158.27 36.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.3 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -57.52 -32.51 67.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.481 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . 0.56 HG22 HE21 ' A' ' 568' ' ' GLN . 19.9 mm -67.23 -38.09 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.477 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.15 -31.75 72.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.478 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 23.4 mt -73.7 -42.12 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.603 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -52.5 -48.17 66.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.56 HE21 HG22 ' A' ' 564' ' ' ILE . 40.7 mt-30 -60.27 -41.05 92.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.575 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.1 m-85 -57.27 -41.13 79.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.411 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . 0.472 ' O ' ' OG ' ' A' ' 574' ' ' SER . 11.3 t -59.16 -52.05 67.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.398 -178.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.69 -43.08 97.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.299 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 17.7 tp -62.0 -55.01 33.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.529 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.0 93.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.538 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 570' ' ' SER . 68.3 m -57.22 -32.99 67.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.0 m -53.13 -48.44 67.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.748 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.07 -44.67 88.31 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.58 -39.26 49.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.752 0.31 . . . . 0.0 110.692 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.33 -42.08 86.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.667 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.118 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . 0.515 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.778 0.323 . . . . 0.0 110.616 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . 0.552 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 5.4 tm0? -68.79 -30.99 69.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.625 -177.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.68 -58.09 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.592 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . 0.472 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 9.0 pt -44.27 -39.28 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.753 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 36.0 m-85 -62.65 -44.45 96.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 46.3 tp10 -52.67 -38.37 60.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.109 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 89.1 m -60.51 -46.8 88.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 447' ' ' LEU . 2.8 mt -60.33 -52.26 66.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.211 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.622 HG22 HG21 ' A' ' 462' ' ' VAL . 2.5 t -70.54 -37.1 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.151 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -64.59 -46.18 83.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.817 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -72.07 -43.24 65.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.814 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -52.95 -49.4 55.24 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 43.9 ptt85 -78.16 -30.52 49.24 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.029 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -77.08 -57.54 3.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.327 . . . . 0.0 110.7 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.49 -43.54 85.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.701 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.3 mt -85.6 -13.72 47.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.71 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.62 55.06 4.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.385 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 11.6 t -94.65 153.7 17.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.705 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -78.16 -54.42 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.449 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.527 ' HE ' ' CG1' ' A' ' 478' ' ' VAL . 12.6 ttm180 -134.81 139.88 45.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.576 -178.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 11.5 m -146.47 130.06 9.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.488 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 28.9 mt -115.84 138.27 46.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.836 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.622 HG21 HG22 ' A' ' 448' ' ' VAL . 2.4 t -135.56 125.41 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.499 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 22.0 p90 -138.43 140.27 39.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.659 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -81.28 147.11 30.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.444 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . 0.532 ' CE2' HD21 ' A' ' 546' ' ' LEU . 1.9 m-85 -82.71 145.83 29.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.595 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 41.5 t0 -110.43 -172.56 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.467 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . 0.516 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 86.8 m-20 -80.39 -16.13 55.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.455 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 470' ' ' VAL . 93.1 m-20 -101.93 30.68 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.448 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . 0.467 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 7.6 m-85 53.25 17.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.38 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 468' ' ' ASN . 43.8 t -108.79 129.04 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.619 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -81.5 176.14 54.31 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 88.1 m -149.96 108.7 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 488' ' ' GLN . 24.9 t -67.95 92.98 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.72 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.527 ' O ' ' NE ' ' A' ' 486' ' ' ARG . 13.6 p -89.28 -19.87 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.394 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.91 134.86 15.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.39 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -152.45 150.71 29.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.677 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 49.5 m -140.77 129.85 23.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.591 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . 0.527 ' CG1' ' HE ' ' A' ' 459' ' ' ARG . 2.1 t -136.35 144.58 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.573 -178.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.748 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -53.95 170.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -77.67 131.28 37.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.412 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 111.38 -16.23 27.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . 0.748 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 50.1 m95 -97.07 169.2 9.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.477 ' O ' ' NH2' ' A' ' 459' ' ' ARG . 8.5 Cg_endo -87.12 126.5 2.39 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.026 2.484 . . . . 0.0 111.907 178.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -89.92 147.99 23.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.711 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . 0.537 ' HB1' ' CD ' ' A' ' 488' ' ' GLN . . . -111.23 -96.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.614 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.527 ' NE ' ' O ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER 61.13 129.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.644 -178.337 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 12.1 t0 76.98 19.37 1.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.564 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.537 ' CD ' ' HB1' ' A' ' 485' ' ' ALA . 27.3 mt-30 -102.91 146.1 28.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.484 178.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.405 ' CG1' ' CG1' ' A' ' 470' ' ' VAL . 21.5 t -98.39 128.33 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.654 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 11.5 mm -97.52 112.02 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.662 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . 0.45 ' O ' ' OD1' ' A' ' 492' ' ' ASP . 78.5 mt-10 -114.04 94.34 4.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.339 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . 0.726 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 4.5 m-20 -137.14 79.26 38.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.714 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 493' ' ' PRO . . . . . 0.464 ' O ' ' OE1' ' A' ' 497' ' ' GLU . 55.4 Cg_endo -71.31 38.59 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.739 2.293 . . . . 0.0 112.178 -177.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . 0.719 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -97.85 -77.65 0.5 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 118.98 -0.533 . . . . 0.0 109.731 179.062 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 495' ' ' PHE . . . . . 0.719 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 33.8 p90 -75.07 -53.16 9.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 110.394 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . 0.726 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 24.3 ptt180 -51.5 -12.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.682 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' GLU . . . . . 0.464 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 73.4 tt0 -89.7 -58.11 2.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.495 -177.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -97.38 -46.54 6.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.52 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' TRP . . . . . 0.531 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 6.9 m95 -63.5 -8.37 9.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.493 -177.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 1.02 HG13 ' H ' ' A' ' 501' ' ' GLU . 5.9 p -47.02 -67.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.487 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 1.02 ' H ' HG13 ' A' ' 500' ' ' VAL . 23.0 pt-20 -47.26 -38.85 13.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -60.95 -44.11 97.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.7 m-85 -61.33 -41.43 97.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.601 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.621 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.8 mmt85 -48.8 -35.95 15.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.714 177.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -76.59 -10.65 59.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.681 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 91.25 35.78 6.89 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -77.36 155.05 32.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 0.0 110.598 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.6 pt -136.75 155.28 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.446 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . 0.554 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 0.8 OUTLIER -132.36 119.12 20.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 177.521 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.785 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -115.98 115.68 26.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.412 -178.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . 0.7 HG21 ' HB3' ' A' ' 517' ' ' ALA . 0.3 OUTLIER -129.04 111.66 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.714 177.389 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 79.1 m -64.37 -57.81 8.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.479 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 515' ' ' PHE . 40.5 t0 -108.59 99.59 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.536 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 27.1 pt -53.63 -10.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.293 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . 0.452 ' H ' ' C ' ' A' ' 513' ' ' ASP . 13.5 m-85 -74.01 -10.98 60.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.5 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -102.38 -15.67 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.566 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . 0.7 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -130.9 116.42 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.599 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . 0.687 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 106.93 44.84 1.25 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.59 31.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.652 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.687 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.1 OUTLIER -76.82 -176.97 4.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.479 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 522' ' ' CYS . 15.9 pt-20 -106.08 -54.0 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.381 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 14.8 p -69.68 -40.98 76.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.224 -177.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.537 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 33.5 t60 -57.29 -55.44 34.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.386 -178.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.537 HD21 ' O ' ' A' ' 518' ' ' GLY . 32.7 mt -54.54 -46.28 73.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.522 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 77.1 m-20 -71.6 -17.03 62.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.696 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . 0.443 HE21 ' HB3' ' A' ' 526' ' ' GLN . 4.2 tt0 -83.27 -29.07 28.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.64 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 527' ' ' LEU . 8.8 mp -96.14 -26.54 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.644 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.556 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 14.3 mtt85 -47.55 -59.45 5.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 16.1 Cg_endo -58.33 -29.53 88.32 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.854 2.369 . . . . 0.0 112.045 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 50.8 mt -82.57 -15.41 52.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.554 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.491 ' CE ' HH12 ' A' ' 533' ' ' ARG . 9.1 tptt 68.23 20.44 8.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.511 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.94 116.65 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.515 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 68.1 mtt85 -125.37 74.34 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 177.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.599 ' HB1' ' CH2' ' A' ' 561' ' ' TRP . . . 172.29 -171.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.244 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -175.14 99.94 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.022 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . 0.49 HD13 ' CD1' ' A' ' 561' ' ' TRP . 48.5 tp -133.33 114.12 13.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.137 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 537' ' ' VAL . 30.2 m -117.08 119.45 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 111.229 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.637 ' O ' HD12 ' A' ' 549' ' ' LEU . 98.7 t -115.1 111.98 44.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.01 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.2 132.86 33.11 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.824 2.349 . . . . 0.0 112.342 -174.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.466 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 40.9 mmm -119.0 111.79 18.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.205 175.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.2 t -120.04 123.82 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.952 -176.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.1 mt -112.89 139.74 36.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.918 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 58.9 t0 45.08 35.68 1.72 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.014 0.435 . . . . 0.0 109.834 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 1.1 m-20 68.71 25.77 6.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.381 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 542' ' ' ILE . 23.5 mt-30 -129.79 137.75 50.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.617 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . 0.621 ' CB ' HH21 ' A' ' 504' ' ' ARG . 12.8 tp -72.02 92.96 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -83.55 -38.78 21.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 -176.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . 0.55 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -159.44 179.66 34.87 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -177.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 538' ' ' VAL . 14.4 tp -151.28 136.6 17.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.712 0.291 . . . . 0.0 110.371 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.581 ' CD1' HG22 ' A' ' 462' ' ' VAL . 24.2 tp -103.23 118.22 36.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.641 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.561 HG22 ' NE2' ' A' ' 553' ' ' HIS . 4.5 mt -122.65 131.97 72.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.621 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.68 146.78 35.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.561 ' NE2' HG22 ' A' ' 551' ' ' ILE . 30.6 m80 -143.24 142.18 31.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -89.64 121.99 32.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.748 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -87.39 -12.56 45.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.334 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 78.7 p -99.07 -72.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.351 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.79 160.66 46.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.512 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -48.26 159.01 0.81 Allowed 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.883 2.388 . . . . 0.0 112.027 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.616 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 43.7 ttt85 -154.56 150.62 27.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.655 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -110.71 108.59 18.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.458 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.785 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.3 OUTLIER -82.95 118.19 23.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.737 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -69.09 159.38 33.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.342 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -56.8 -32.95 66.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.883 0.373 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . 0.501 HG22 HE21 ' A' ' 568' ' ' GLN . 14.6 mm -67.19 -38.09 80.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.425 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.28 -31.46 72.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.551 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 24.8 mt -73.05 -42.04 59.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.538 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -52.78 -48.55 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.501 HE21 HG22 ' A' ' 564' ' ' ILE . 42.9 mt-30 -59.94 -40.38 88.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.521 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.1 m-85 -58.37 -40.83 83.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 66.8 m -60.07 -51.17 70.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.352 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.21 -43.23 98.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.349 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.45 -53.31 58.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.528 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.402 ' O ' ' CE ' ' A' ' 540' ' ' MET . . . -62.69 -41.35 99.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.5 p -56.12 -34.25 65.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 27.7 m -55.62 -43.91 76.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.74 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.5 -45.61 89.33 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 3.8 m -52.22 -40.02 61.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.696 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.37 -48.58 80.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.416 HG22 ' H ' ' A' ' 579' ' ' VAL . 12.2 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.641 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . 0.467 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.845 0.355 . . . . 0.0 110.679 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 50.7 tp60 -68.19 -30.96 70.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.649 -177.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -70.27 -57.86 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 17.6 pt -44.52 -38.39 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.803 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . 0.436 ' HB3' ' CB ' ' A' ' 475' ' ' ALA . 27.1 m-85 -59.17 -44.92 92.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.035 178.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 97.4 mt-10 -55.89 -36.34 67.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 88.3 m -56.36 -33.51 65.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.061 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.527 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.0 OUTLIER -83.21 -50.93 7.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.245 178.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.04 -39.63 83.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.115 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -62.36 -47.83 82.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.868 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -69.29 -40.98 77.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.82 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -55.12 -52.45 46.98 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 38.0 ptt85 -76.69 -28.61 55.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.711 0.291 . . . . 0.0 111.088 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -79.03 -55.61 5.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.702 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 66.2 mt -66.22 -43.9 85.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.714 -177.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.599 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 13.2 mt -86.37 -14.78 42.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.703 -178.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 59.57 53.8 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 72.4 m -94.17 157.2 16.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.744 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -78.05 -51.68 9.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.504 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 553' ' ' HIS . 45.8 ttt180 -142.54 142.49 32.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.564 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 35.0 m -146.11 135.31 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.414 HD12 ' CE1' ' A' ' 553' ' ' HIS . 17.0 mt -112.57 144.46 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.747 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 3.5 t -143.65 128.44 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.417 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 21.6 p90 -139.37 164.53 29.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.688 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -104.68 141.86 35.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.492 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . 0.576 ' CE2' HD21 ' A' ' 546' ' ' LEU . 1.4 m-85 -80.45 143.84 33.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.672 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -111.28 -170.89 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.495 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -80.79 -16.0 54.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.447 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . 0.574 ' O ' HG23 ' A' ' 470' ' ' VAL . 84.7 m-20 -101.35 26.75 6.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.521 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . 0.491 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.5 m-85 55.76 20.84 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.39 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 468' ' ' ASN . 94.6 t -108.89 130.37 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.622 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -80.85 174.75 54.88 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . 0.422 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 93.5 m -147.12 105.22 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.572 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 488' ' ' GLN . 34.7 t -65.65 82.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.653 -177.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.423 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 14.6 p -81.87 -21.59 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.348 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' A' ' 444' ' ' PHE . . . -150.16 135.41 17.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.364 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . 0.423 ' H ' ' HD3' ' A' ' 486' ' ' ARG . 49.6 tt0 -158.37 154.14 26.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.679 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 42.8 t -139.53 128.58 23.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.3 m -134.37 140.08 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.534 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.728 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -58.44 171.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . 0.68 ' CD ' ' H ' ' A' ' 480' ' ' GLU . 1.3 pm0 -74.05 125.64 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.459 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 113.49 -10.49 23.93 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . 0.728 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 35.9 m95 -102.46 167.36 10.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 0.0 110.844 178.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -86.06 128.96 3.3 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 123.008 2.472 . . . . 0.0 111.907 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -91.01 148.33 22.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.685 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -112.12 -97.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.543 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 487' ' ' ASP . 34.5 mmm-85 60.03 122.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.707 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 10.9 t0 77.53 15.87 1.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.52 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.412 ' O ' HG23 ' A' ' 473' ' ' VAL . 88.8 mt-30 -103.69 147.07 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 178.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 32.9 m -108.51 133.33 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.575 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . 0.431 HD12 ' CD2' ' A' ' 463' ' ' TYR . 58.6 mt -101.58 119.65 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.669 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . 0.421 ' HA ' HH12 ' A' ' 496' ' ' ARG . 97.6 mt-10 -110.57 94.21 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.319 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . 0.718 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 3.8 m-20 -132.71 78.35 66.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.746 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 493' ' ' PRO . . . . . 0.489 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 55.7 Cg_endo -71.32 35.19 0.28 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.806 2.338 . . . . 0.0 112.193 -177.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . 0.728 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -95.54 -78.5 0.45 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.511 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 495' ' ' PHE . . . . . 0.728 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 36.5 p90 -75.72 -53.1 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.318 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . 0.718 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 25.1 ptt180 -51.44 -14.1 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.607 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' GLU . . . . . 0.459 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 66.6 tt0 -89.83 -58.93 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.494 -177.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' HIS . . . . . 0.436 ' NE2' ' OE1' ' A' ' 497' ' ' GLU . 2.1 m80 -95.14 -46.59 6.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.439 -177.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' TRP . . . . . 0.448 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 6.2 m95 -65.21 -3.76 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.46 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 1.018 HG13 ' H ' ' A' ' 501' ' ' GLU . 6.2 p -48.76 -67.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.507 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 1.018 ' H ' HG13 ' A' ' 500' ' ' VAL . 23.1 pt-20 -47.06 -39.08 12.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.557 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -63.71 -42.43 97.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -62.15 -40.72 96.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.632 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' A' ' 504' ' ' ARG . 12.0 mmt-85 -50.94 -34.12 27.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.671 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -77.55 -9.88 59.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.727 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 88.32 34.32 9.67 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 539' ' ' PRO . 22.1 mmt85 -71.58 155.49 40.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.614 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.66 HD11 HD11 ' A' ' 536' ' ' LEU . 7.3 tt -138.34 150.4 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.443 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . 0.622 HE22 ' CG ' ' A' ' 535' ' ' ASN . 0.7 OUTLIER -128.57 123.77 34.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.682 177.414 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.789 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -115.75 111.81 21.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.416 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 517' ' ' ALA . 1.5 m -131.61 111.55 11.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.685 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . 0.446 ' H ' HG23 ' A' ' 512' ' ' THR . 3.1 p -66.1 -55.05 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.482 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.419 ' N ' ' OG1' ' A' ' 512' ' ' THR . 41.7 t0 -104.43 97.62 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.621 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.623 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 46.7 pt -55.24 -10.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.391 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 513' ' ' ASP . 18.3 m-85 -76.43 -12.57 60.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.516 -178.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . 0.46 ' HE3' HG23 ' A' ' 511' ' ' THR . 1.3 pttp -101.31 -11.12 19.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.549 178.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . 0.53 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -129.71 114.71 16.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . 0.708 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 99.5 45.29 2.17 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 23.9 mt -58.75 34.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.759 0.314 . . . . 0.0 110.647 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.708 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.2 OUTLIER -76.24 -173.62 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.421 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.616 ' H ' HG22 ' A' ' 520' ' ' THR . 18.4 pt-20 -107.95 -49.46 3.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.327 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . 0.629 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 8.1 p -71.04 -44.25 66.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.198 -177.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.629 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 74.7 t60 -56.86 -55.41 34.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.466 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.473 HD21 ' O ' ' A' ' 518' ' ' GLY . 17.2 mt -53.63 -46.73 70.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.526 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 82.8 m-20 -72.23 -11.84 60.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.713 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . 0.433 HE21 ' HB3' ' A' ' 526' ' ' GLN . 4.1 tt0 -89.39 -31.24 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.627 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 527' ' ' LEU . 10.1 mp -93.98 -30.1 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.618 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.562 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 18.5 mtp180 -47.13 -59.23 5.67 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 12.8 Cg_endo -56.45 -28.64 74.31 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.876 2.384 . . . . 0.0 112.061 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 36.8 mt -85.62 -14.8 44.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 4.2 tptm 67.98 20.64 9.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 29.6 t -68.36 114.23 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.584 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . 0.527 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 86.3 mtt-85 -122.57 73.89 1.15 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.623 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.32 -171.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.225 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . 0.622 ' CG ' HE22 ' A' ' 509' ' ' GLN . 10.4 t-20 -174.4 99.46 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 111.083 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . 0.66 HD11 HD11 ' A' ' 508' ' ' ILE . 53.1 tp -134.78 114.72 12.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.177 177.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 537' ' ' VAL . 27.2 m -118.85 120.73 64.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.165 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 60.1 t -119.27 99.81 50.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.99 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . 0.492 ' CG ' ' O ' ' A' ' 507' ' ' ARG . 31.8 Cg_exo -54.33 133.45 56.1 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.805 2.337 . . . . 0.0 112.367 -175.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.472 ' CE ' ' O ' ' A' ' 573' ' ' ALA . 44.4 mmm -114.96 113.95 24.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.227 175.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.7 t -120.01 127.81 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 545' ' ' GLN . 90.2 mt -114.24 136.77 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.954 178.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 58.1 t0 43.03 31.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.07 0.462 . . . . 0.0 109.844 -176.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 0.4 OUTLIER 75.99 25.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.415 179.439 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' GLN . . . . . 0.568 ' N ' ' O ' ' A' ' 542' ' ' ILE . 24.9 mt-30 -127.59 128.97 46.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.634 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . 0.576 HD21 ' CE2' ' A' ' 465' ' ' PHE . 16.0 tp -66.66 92.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.54 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -84.85 -37.71 20.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.517 -176.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . 0.54 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -158.84 -179.46 33.71 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -176.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 31.1 tp -146.95 138.21 24.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.707 0.289 . . . . 0.0 110.355 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 20.7 tp -104.69 108.72 20.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.646 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.462 ' CG2' HG12 ' A' ' 537' ' ' VAL . 0.5 OUTLIER -116.89 131.22 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.635 -178.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . 0.487 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -121.65 147.05 46.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.556 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.487 ' CG ' ' C ' ' A' ' 552' ' ' ALA . 0.9 OUTLIER -152.19 151.88 31.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.671 179.157 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.675 ' NE2' HH11 ' A' ' 559' ' ' ARG . 22.8 mp0 -90.85 117.68 29.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.685 177.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -77.53 -8.45 57.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.303 -178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 55.2 p -99.18 -71.91 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.336 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -142.09 159.23 59.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.483 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -48.0 163.37 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.922 2.415 . . . . 0.0 112.081 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.675 HH11 ' NE2' ' A' ' 554' ' ' GLN . 21.8 ttt-85 -159.78 152.96 22.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.69 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -111.48 109.2 19.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.445 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.789 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.0 OUTLIER -78.79 116.04 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.684 177.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -68.39 162.44 25.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.364 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -58.16 -34.99 70.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.438 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . 0.429 HG22 ' NE2' ' A' ' 568' ' ' GLN . 93.1 mt -63.32 -39.6 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.427 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.588 ' OE1' ' N ' ' A' ' 565' ' ' GLU . 2.7 mp0 -62.76 -32.74 73.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.573 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 82.7 mt -66.44 -47.49 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -52.37 -48.39 65.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.599 ' OE1' ' N ' ' A' ' 568' ' ' GLN . 0.5 OUTLIER -61.11 -40.65 94.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 179.187 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 5.9 m-85 -58.57 -43.42 89.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.329 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 58.8 m -59.21 -50.98 71.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.358 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -64.75 -41.87 95.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.325 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.44 -55.46 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.549 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.472 ' O ' ' CE ' ' A' ' 540' ' ' MET . . . -61.6 -44.07 97.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.541 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 80.7 p -55.59 -32.18 62.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.599 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 15.7 m -56.17 -43.47 78.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.72 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.93 -46.26 91.11 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 1.5 t -49.6 -44.81 47.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.67 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.6 mt -59.24 -41.87 89.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 98.7 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.647 -178.828 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . 0.481 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 4.3 ptp180 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.801 0.334 . . . . 0.0 110.659 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 61.1 tp60 -69.48 -31.5 69.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.635 -177.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 445' ' ' GLU . . . -70.4 -57.16 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -177.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 12.5 pt -43.33 -39.06 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.742 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 35.6 m-85 -62.19 -41.01 97.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 442' ' ' ALA . 49.6 tp10 -57.58 -36.37 71.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 94.9 m -60.73 -35.73 77.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.065 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.531 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.2 mt -80.28 -48.83 12.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.504 ' CG1' ' OG ' ' A' ' 477' ' ' SER . 47.5 t -67.78 -39.4 81.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.125 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -61.21 -47.22 87.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.763 0.316 . . . . 0.0 110.863 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -69.41 -39.7 77.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.853 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -55.79 -52.42 48.66 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.439 -0.664 . . . . 0.0 111.439 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . 0.471 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 9.2 ptm180 -76.68 -29.98 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.065 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -77.49 -55.12 5.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.88 0.371 . . . . 0.0 110.751 -178.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 58.5 mt -67.54 -42.76 82.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.672 -177.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.612 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.7 mt -87.75 -15.26 37.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.682 -178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 59.65 55.12 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 72.7 m -94.03 154.88 17.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.606 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -77.95 -50.71 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.45 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 553' ' ' HIS . 19.4 ttt180 -140.65 138.86 34.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.553 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 460' ' ' VAL . 33.2 m -144.19 128.7 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.461 177.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 16.3 tt -113.91 139.01 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.766 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 550' ' ' LEU . 2.7 t -136.02 129.6 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.404 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.656 ' CD2' HD12 ' A' ' 490' ' ' ILE . 24.8 p90 -141.14 142.82 34.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.707 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -83.05 145.93 29.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.388 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.4 m-85 -82.82 146.29 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.697 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -111.32 -172.55 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.464 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -80.13 -13.57 59.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.443 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . 0.422 ' O ' HG23 ' A' ' 470' ' ' VAL . 88.2 m-20 -102.02 27.62 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.497 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . 0.599 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 7.0 m-85 54.85 18.04 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.333 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 468' ' ' ASN . 44.3 t -108.79 133.07 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.71 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.43 ' O ' HG13 ' A' ' 489' ' ' VAL . . . -83.02 173.42 52.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -177.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . 0.403 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 89.4 m -148.1 111.83 5.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.778 0.323 . . . . 0.0 110.68 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 488' ' ' GLN . 47.7 t -71.91 93.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.649 -177.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.522 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 13.7 m -97.0 -20.1 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.339 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . 0.455 ' HB2' ' NE2' ' A' ' 441' ' ' GLN . . . -148.5 131.57 16.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.384 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' ' 486' ' ' ARG . 60.3 tt0 -157.74 153.15 26.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.675 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . 0.504 ' OG ' ' CG1' ' A' ' 448' ' ' VAL . 82.5 p -137.52 126.26 23.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.579 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.84 143.01 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.602 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -60.88 172.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.71 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -73.59 127.49 32.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.425 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.65 -9.61 25.89 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . 0.602 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 40.1 m95 -103.38 168.41 8.76 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.981 0.419 . . . . 0.0 110.798 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -84.96 129.34 3.93 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.972 2.448 . . . . 0.0 111.917 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -96.76 148.32 23.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.706 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . 0.437 ' HB3' HG11 ' A' ' 473' ' ' VAL . . . -115.85 -94.32 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 -179.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.447 HH21 ' CD ' ' A' ' 441' ' ' GLN . 34.1 mmm-85 65.18 16.77 10.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.68 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -176.36 20.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.502 ' O ' HG23 ' A' ' 473' ' ' VAL . 90.0 mt-30 -103.29 142.68 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.562 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 471' ' ' GLY . 14.1 t -102.33 133.73 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.621 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . 0.656 HD12 ' CD2' ' A' ' 463' ' ' TYR . 17.0 mt -102.04 118.65 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.743 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -118.71 88.14 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.255 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . 0.748 ' C ' ' HE ' ' A' ' 496' ' ' ARG . 7.3 m-20 -129.13 83.54 65.56 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.58 39.61 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.695 2.263 . . . . 0.0 112.223 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . 0.756 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -97.9 -71.4 0.69 Allowed 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.198 179.307 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 495' ' ' PHE . . . . . 0.756 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 30.8 p90 -79.58 -52.54 7.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 118.864 0.756 . . . . 0.0 110.281 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . 0.748 ' HE ' ' C ' ' A' ' 492' ' ' ASP . 7.5 ptt180 -52.48 -13.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.657 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' GLU . . . . . 0.422 ' OE1' ' CD2' ' A' ' 498' ' ' HIS . 5.1 tm-20 -91.18 -58.69 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.573 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 494' ' ' CYS . 1.7 m80 -91.46 -38.33 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.45 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' TRP . . . . . 0.515 ' N ' ' O ' ' A' ' 495' ' ' PHE . 8.9 m95 -82.65 21.84 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.494 -178.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 1.072 HG13 ' H ' ' A' ' 501' ' ' GLU . 3.6 p -69.16 -70.45 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.52 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 1.072 ' H ' HG13 ' A' ' 500' ' ' VAL . 21.8 pt-20 -48.85 -38.63 22.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.508 178.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -56.91 -44.26 82.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . 0.459 ' OH ' HG21 ' A' ' 537' ' ' VAL . 4.1 m-85 -63.14 -40.84 98.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.592 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.599 ' NE ' ' O ' ' A' ' 544' ' ' ASP . 4.0 tpt180 -47.71 -33.6 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.715 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -80.37 -7.75 59.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.663 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 88.09 33.56 10.69 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . 0.534 ' O ' ' CG ' ' A' ' 539' ' ' PRO . 32.7 mmt180 -72.63 155.31 40.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 0.0 110.603 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 5.4 tt -137.11 152.04 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.425 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . 0.645 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 0.6 OUTLIER -131.36 121.39 24.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.689 177.257 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.812 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -113.99 113.9 25.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.367 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . 0.645 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.2 OUTLIER -130.22 109.2 10.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.614 177.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . 0.519 ' OG1' ' NE2' ' A' ' 560' ' ' GLN . 60.0 m -62.96 -61.52 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.548 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.3 t0 -104.13 98.73 8.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.567 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 25.1 pt -54.45 -10.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.338 -177.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . 0.443 ' H ' ' C ' ' A' ' 513' ' ' ASP . 18.0 m-85 -76.18 -13.65 60.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.419 -178.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . 0.519 ' HE2' HG22 ' A' ' 511' ' ' THR . 25.8 pttt -98.71 -11.68 21.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.573 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . 0.539 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -132.39 116.49 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 -178.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . 0.752 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 104.29 45.13 1.49 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 177.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 10.4 mt -57.23 30.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.722 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.752 ' H ' ' C ' ' A' ' 518' ' ' GLY . 72.9 p -77.56 -173.81 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.534 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.542 ' O ' ' ND2' ' A' ' 525' ' ' ASN . 21.0 pt-20 -110.03 -41.54 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.375 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 526' ' ' GLN . 6.2 t -70.41 -48.23 57.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.254 -178.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.429 ' NE2' HD22 ' A' ' 527' ' ' LEU . 55.6 t60 -56.07 -53.0 62.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.453 -177.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.408 HD21 ' O ' ' A' ' 518' ' ' GLY . 9.4 mt -57.76 -47.78 81.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 80.5 m-20 -72.39 -22.54 61.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.772 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 522' ' ' CYS . 5.0 tt0 -83.12 -30.44 27.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.624 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.429 HD22 ' NE2' ' A' ' 523' ' ' HIS . 8.9 mp -92.43 -33.8 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.587 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 6.2 mtp180 -43.2 -58.26 4.35 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.639 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 10.8 Cg_endo -55.15 -26.86 53.03 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.765 2.31 . . . . 0.0 112.052 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 24.6 mt -87.38 -8.6 56.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.545 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 531' ' ' LYS . 0.0 OUTLIER 54.07 27.16 7.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 7.9 t -75.71 124.24 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.474 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 61.2 mtp180 -127.05 75.41 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.567 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.7 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.177 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . 0.557 ' CG ' HE22 ' A' ' 509' ' ' GLN . 24.6 t-20 -174.54 98.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.113 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 50.2 tp -134.02 113.2 11.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.196 177.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.459 HG21 ' OH ' ' A' ' 503' ' ' TYR . 18.4 m -124.35 120.97 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.26 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.662 HG13 ' O ' ' A' ' 538' ' ' VAL . 8.7 p -119.68 107.46 40.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.976 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . 0.534 ' CG ' ' O ' ' A' ' 507' ' ' ARG . 31.5 Cg_exo -54.46 133.95 59.02 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.753 2.302 . . . . 0.0 112.4 -175.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.523 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 55.0 mmm -117.41 113.76 22.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.233 175.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 541' ' ' VAL . 4.0 m -122.53 125.11 72.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.957 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 545' ' ' GLN . 96.4 mt -104.07 139.97 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.863 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' ASP . . . . . 0.4 ' O ' ' CB ' ' A' ' 544' ' ' ASP . 84.7 m-20 43.17 30.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -176.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . 0.599 ' O ' ' NE ' ' A' ' 504' ' ' ARG . 18.4 t0 75.75 25.75 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.414 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 542' ' ' ILE . 24.0 mt-30 -126.75 125.12 41.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.677 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 17.2 tp -62.76 92.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.517 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.1 OUTLIER -88.62 -38.11 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.578 -176.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . 0.504 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -155.24 -179.99 30.81 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.432 HD23 HD11 ' A' ' 551' ' ' ILE . 34.9 tp -148.51 137.48 21.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.739 0.304 . . . . 0.0 110.369 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.468 ' CD1' HG22 ' A' ' 462' ' ' VAL . 23.4 tp -105.43 116.32 31.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.666 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.493 HG22 ' NE2' ' A' ' 553' ' ' HIS . 6.2 mt -121.74 133.97 66.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.501 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.43 140.88 44.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.543 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.493 ' NE2' HG22 ' A' ' 551' ' ' ILE . 38.9 m80 -137.62 139.22 40.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.614 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -90.46 115.92 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.693 175.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.449 ' O ' ' CH2' ' A' ' 482' ' ' TRP . . . -83.88 -10.69 57.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.349 -178.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 42.2 t -100.32 -72.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.313 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.16 158.56 54.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.512 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -47.87 160.16 0.5 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.865 2.377 . . . . 0.0 112.012 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.615 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 43.2 ttt85 -153.94 150.07 27.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.64 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . 0.519 ' NE2' ' OG1' ' A' ' 512' ' ' THR . 8.9 tp-100 -110.49 110.2 20.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.432 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.812 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.1 OUTLIER -82.82 119.63 24.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 178.793 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -70.49 160.2 32.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.328 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -57.99 -35.4 71.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 110.539 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . 0.474 ' O ' ' OE1' ' A' ' 568' ' ' GLN . 32.9 mm -61.21 -41.42 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.452 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.14 -31.98 70.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.527 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 29.7 mm -66.78 -46.2 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.558 177.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -51.35 -49.19 61.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.513 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.474 ' OE1' ' O ' ' A' ' 564' ' ' ILE . 10.9 mp0 -61.98 -39.75 93.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.489 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.612 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.4 m-85 -57.86 -43.88 86.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.329 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 574' ' ' SER . 11.7 t -58.18 -52.87 63.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.413 -178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.75 -40.62 95.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.36 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 572' ' ' LEU . 47.4 tp -63.1 -54.88 31.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.478 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.523 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -66.03 -42.54 89.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 570' ' ' SER . 74.7 m -57.36 -33.08 67.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.604 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 55.1 m -57.14 -46.82 82.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.687 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -54.5 -45.12 77.59 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 1.9 t -51.52 -41.39 60.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.705 0.288 . . . . 0.0 110.615 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -57.99 -43.86 86.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.667 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.674 -179.141 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . 0.466 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 4.1 ptp85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.813 0.34 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . 0.56 ' CD ' HH21 ' A' ' 486' ' ' ARG . 42.4 tp60 -68.79 -29.98 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.679 -176.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.65 -57.84 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.613 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 13.8 pt -45.13 -38.56 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.786 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . 0.402 ' N ' HG13 ' A' ' 443' ' ' ILE . 26.8 m-85 -59.42 -45.01 92.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.012 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 97.2 mt-10 -58.03 -34.65 70.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.145 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 71.9 m -60.59 -31.45 70.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.99 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.528 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.9 mt -82.22 -49.0 10.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 74.3 t -69.99 -35.7 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.116 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -64.76 -48.08 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.788 0.328 . . . . 0.0 110.811 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -72.86 -36.74 67.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -58.05 -51.73 56.61 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 8.6 ptm180 -79.23 -29.49 42.75 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.991 -0.283 . . . . 0.0 111.053 -178.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -76.69 -54.53 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.715 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 53.3 mt -69.27 -44.37 72.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.645 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.1 mt -84.62 -14.42 48.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.729 -178.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 59.62 55.71 3.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.371 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 76.6 m -94.61 152.85 18.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.694 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.435 ' OD2' ' OE1' ' A' ' 554' ' ' GLN . 80.1 m-20 -75.52 -53.55 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.49 -178.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.488 ' O ' ' O ' ' A' ' 553' ' ' HIS . 35.0 ttt180 -143.01 142.34 31.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.517 -177.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 34.4 m -147.05 135.21 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.467 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 15.1 mt -114.27 137.04 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.766 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.596 HG22 ' CD1' ' A' ' 550' ' ' LEU . 2.5 t -133.46 124.87 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.529 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 24.5 p90 -140.99 141.18 34.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.653 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -82.31 148.49 28.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.405 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.6 m-85 -81.64 147.21 29.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.603 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -111.57 -172.7 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.494 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 52.7 p30 -81.31 -10.9 59.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.467 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . 0.736 ' O ' HG23 ' A' ' 470' ' ' VAL . 92.7 m-20 -105.64 26.07 10.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.499 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . 0.447 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.2 m-85 55.47 20.71 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.382 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 468' ' ' ASN . 23.0 t -110.06 131.93 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.63 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -78.39 170.1 54.68 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . 0.404 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 64.1 m -145.72 105.84 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.53 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . 0.475 ' HB ' ' H ' ' A' ' 488' ' ' GLN . 19.1 t -68.81 96.91 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.687 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.475 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 11.6 p -94.17 -21.81 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.283 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.91 133.62 15.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.357 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -153.6 153.15 31.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.656 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 42.0 t -139.54 128.25 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.4 m -132.55 139.34 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 -177.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.794 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -55.69 170.02 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.704 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -73.85 125.58 28.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.441 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.72 -10.63 25.57 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . 0.794 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 38.7 m95 -103.0 147.78 34.63 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.811 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -66.45 127.9 18.21 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.056 2.504 . . . . 0.0 111.892 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -88.23 147.14 24.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.779 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . 0.462 ' HB1' ' CD ' ' A' ' 488' ' ' GLN . . . -114.68 -96.23 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.56 HH21 ' CD ' ' A' ' 441' ' ' GLN . 20.6 ttt180 58.17 133.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.677 -178.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 68.79 21.13 7.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.475 ' H ' ' HB ' ' A' ' 473' ' ' VAL . 26.3 mt-30 -104.35 151.84 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.492 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 489' ' ' VAL . 8.8 p -108.69 129.29 63.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.684 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . 0.427 HD12 ' CD2' ' A' ' 463' ' ' TYR . 54.0 mt -104.76 127.76 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.711 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . 0.434 ' HA ' HH12 ' A' ' 496' ' ' ARG . 70.6 tt0 -118.53 96.96 5.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.284 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . 0.719 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 16.1 m-20 -135.55 82.51 39.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.738 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 493' ' ' PRO . . . . . 0.467 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 73.3 Cg_endo -78.09 40.97 0.94 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.721 2.281 . . . . 0.0 112.23 -175.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . 0.768 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -100.74 -75.48 0.58 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 118.956 -0.545 . . . . 0.0 109.843 178.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 495' ' ' PHE . . . . . 0.768 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 23.5 p90 -75.19 -51.59 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.067 0.394 . . . . 0.0 110.312 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . 0.719 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 29.2 ptt180 -54.24 -15.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.601 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 68.8 tt0 -89.82 -58.7 2.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.522 -178.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' HIS . . . . . 0.506 ' C ' ' H ' ' A' ' 500' ' ' VAL . 1.2 m80 -91.23 -46.8 7.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.455 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' ' 495' ' ' PHE . 12.0 m95 -73.73 21.74 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.548 -178.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 1.079 HG13 ' H ' ' A' ' 501' ' ' GLU . 3.6 p -67.35 -70.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.463 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 1.079 ' H ' HG13 ' A' ' 500' ' ' VAL . 22.2 pt-20 -50.16 -39.13 42.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -55.08 -45.82 75.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.473 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . 0.424 ' OH ' HG21 ' A' ' 537' ' ' VAL . 4.1 m-85 -62.44 -40.09 95.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.612 178.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.586 ' NE ' ' O ' ' A' ' 544' ' ' ASP . 5.7 tpt180 -48.89 -37.54 20.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.753 177.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -76.09 -8.06 56.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.692 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 90.2 34.6 8.03 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -76.22 155.33 34.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.824 0.345 . . . . 0.0 110.596 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.5 pt -139.15 159.14 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.516 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . 0.61 HE22 ' ND2' ' A' ' 535' ' ' ASN . 0.0 OUTLIER -140.96 124.68 16.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.657 177.329 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.783 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.02 118.31 32.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.388 -177.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . 0.509 ' OG1' ' OE1' ' A' ' 509' ' ' GLN . 0.3 OUTLIER -128.56 107.24 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.711 177.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . 0.426 ' OG1' ' OE1' ' A' ' 560' ' ' GLN . 99.6 m -61.31 -60.35 3.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.516 -178.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.586 ' OD1' ' N ' ' A' ' 513' ' ' ASP . 8.5 p-10 -105.07 99.91 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.598 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.601 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 40.4 pt -52.83 -8.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.32 -179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . 0.501 ' H ' ' C ' ' A' ' 513' ' ' ASP . 35.1 m-85 -82.24 7.3 14.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.503 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.74 -10.41 14.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.641 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -128.22 113.26 15.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . 0.663 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 81.54 46.16 6.99 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . 0.406 ' CD2' ' O ' ' A' ' 515' ' ' PHE . 11.7 mt -49.68 -1.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.708 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.663 ' H ' ' C ' ' A' ' 518' ' ' GLY . 35.2 m -153.58 128.47 9.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.534 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.606 ' HB3' ' O ' ' A' ' 520' ' ' THR . 6.1 pt-20 159.01 171.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.376 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 526' ' ' GLN . 25.5 p -65.76 -27.6 68.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.218 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -52.21 -50.37 62.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.48 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.411 HD11 ' O ' ' A' ' 518' ' ' GLY . 4.6 mt -56.42 -50.69 70.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.471 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -73.4 -20.72 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.752 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 522' ' ' CYS . 5.4 tt0 -87.15 -27.12 23.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.629 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 9.4 mp -101.11 -11.16 19.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.596 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 2.3 ttt85 -55.57 -44.81 99.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.644 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 12.7 Cg_exo -69.39 -25.68 30.08 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.846 2.364 . . . . 0.0 112.069 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 37.7 mt -85.76 -13.27 48.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.505 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 6.1 tptp 63.53 25.09 14.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.498 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 7.0 t -69.57 112.29 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.526 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 75.1 mtt180 -122.34 74.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.626 ' HB1' ' CH2' ' A' ' 561' ' ' TRP . . . 171.14 -170.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.266 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . 0.61 ' ND2' HE22 ' A' ' 509' ' ' GLN . 24.2 t30 -174.94 99.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 111.063 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 561' ' ' TRP . 39.3 tp -134.25 113.63 12.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.149 177.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.424 HG21 ' OH ' ' A' ' 503' ' ' TYR . 19.4 m -115.58 121.84 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.228 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.63 ' O ' HD12 ' A' ' 549' ' ' LEU . 69.4 t -119.92 112.69 34.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.902 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.88 133.86 37.82 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.812 2.341 . . . . 0.0 112.332 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.526 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 46.4 mmm -114.41 117.33 30.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.152 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 12.5 t -119.62 128.2 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.98 0.419 . . . . 0.0 110.894 -176.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . 0.617 ' O ' ' N ' ' A' ' 545' ' ' GLN . 28.6 mm -109.55 135.11 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.883 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 544' ' ' ASP . 58.8 t0 41.03 30.89 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.097 0.475 . . . . 0.0 109.857 -177.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . 0.586 ' O ' ' NE ' ' A' ' 504' ' ' ARG . 11.9 t0 80.25 25.59 0.34 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.474 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' GLN . . . . . 0.617 ' N ' ' O ' ' A' ' 542' ' ' ILE . 24.4 mt-30 -130.37 126.62 37.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.613 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.04 94.83 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.521 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.681 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -94.67 -30.7 14.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.572 -176.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . 0.681 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -155.73 -178.9 30.39 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -177.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.647 HD12 ' H ' ' A' ' 550' ' ' LEU . 11.2 tp -153.85 139.8 18.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.727 0.299 . . . . 0.0 110.393 -178.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.647 ' H ' HD12 ' A' ' 549' ' ' LEU . 25.8 tp -107.75 119.39 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.663 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.585 HG22 ' NE2' ' A' ' 553' ' ' HIS . 1.9 mt -124.29 132.53 71.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . 0.473 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -117.79 148.03 42.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.585 ' NE2' HG22 ' A' ' 551' ' ' ILE . 0.4 OUTLIER -151.36 149.29 29.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.676 178.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.435 ' OE1' ' OD2' ' A' ' 458' ' ' ASP . 87.2 mm-40 -87.47 121.26 29.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.763 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -80.74 -9.5 59.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.281 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 58.8 p -99.72 -72.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.307 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -142.17 159.08 59.96 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.485 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -49.1 163.53 0.33 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.864 2.376 . . . . 0.0 112.031 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.57 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 37.1 ttt85 -159.07 151.85 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.662 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . 0.426 ' OE1' ' OG1' ' A' ' 512' ' ' THR . 67.8 tp60 -109.06 107.58 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.489 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.783 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.2 OUTLIER -82.07 119.88 24.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.706 179.432 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -71.12 159.21 35.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.356 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -56.33 -33.39 65.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.446 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . 0.415 HG22 ' NE2' ' A' ' 568' ' ' GLN . 93.1 mt -66.67 -38.18 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.437 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.41 -32.49 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.618 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 23.0 mt -73.13 -42.44 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.556 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -51.13 -48.75 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.502 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.571 ' OE1' ' N ' ' A' ' 568' ' ' GLN . 0.5 OUTLIER -59.75 -41.55 91.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.539 179.313 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.7 m-85 -57.43 -41.17 79.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.429 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 65.5 m -60.03 -51.46 69.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.358 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.54 -43.16 97.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.354 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.39 -53.83 49.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.473 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.526 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -63.14 -43.8 97.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.0 p -58.83 -33.35 70.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 23.8 m -49.82 -53.12 27.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.724 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -52.04 -39.85 50.04 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 11.3 p -49.46 -47.85 48.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.673 0.273 . . . . 0.0 110.686 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 12.3 mt -50.3 -41.42 50.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.731 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.602 -179.367 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . 0.5 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 2.9 ptp180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.798 0.333 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . 0.542 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 1.6 tm0? -67.83 -34.2 76.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.737 -177.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.16 -58.21 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.594 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 14.4 pt -43.21 -39.49 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.746 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 29.5 m-85 -59.35 -44.24 92.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.991 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . 0.513 ' CD ' HE22 ' A' ' 441' ' ' GLN . 96.5 mt-10 -54.96 -35.06 63.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 89.6 m -59.05 -34.82 72.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.992 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.517 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.3 mt -79.14 -49.56 12.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.232 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.678 HG22 HG21 ' A' ' 462' ' ' VAL . 2.4 t -69.48 -37.22 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.113 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -63.16 -45.43 91.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.853 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 454' ' ' LEU . 4.1 mptt -72.37 -46.65 54.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.2 -49.37 31.0 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 35.5 ptt85 -76.97 -32.91 57.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.67 0.271 . . . . 0.0 111.069 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -78.32 -58.69 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.797 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 450' ' ' LYS . 46.5 mt -59.4 -41.74 90.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.692 -177.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.613 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.4 mt -90.51 -11.06 41.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.739 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 58.79 54.08 5.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.36 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.605 ' SG ' ' NE2' ' A' ' 554' ' ' GLN . 5.9 t -93.7 153.2 18.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.703 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -76.47 -50.91 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.492 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.534 ' O ' ' O ' ' A' ' 553' ' ' HIS . 26.7 ttt180 -141.6 140.56 33.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.561 -178.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . 0.404 HG12 ' HB1' ' A' ' 552' ' ' ALA . 18.9 m -146.99 136.1 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.409 178.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 17.5 mt -114.74 142.22 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.801 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.678 HG21 HG22 ' A' ' 448' ' ' VAL . 5.7 t -139.24 127.26 26.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.454 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.474 ' HB2' ' C ' ' A' ' 472' ' ' THR . 26.1 p90 -140.21 159.05 43.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.671 -178.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -99.15 142.41 30.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.499 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 547' ' ' PHE . 1.7 m-85 -83.22 146.12 28.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -111.71 -171.26 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.512 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 54.3 p30 -82.82 -12.65 57.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.483 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 470' ' ' VAL . 91.8 m-20 -105.95 31.98 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.458 -178.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . 0.534 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 51.1 m-85 53.14 17.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.417 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 468' ' ' ASN . 42.7 t -107.38 127.26 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.616 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -86.63 177.91 48.59 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . 0.474 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 53.9 m -149.47 110.2 4.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.78 0.324 . . . . 0.0 110.632 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . 0.513 ' HB ' ' H ' ' A' ' 488' ' ' GLN . 43.1 t -69.43 84.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.67 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 28.3 m -80.23 -20.29 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.354 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.33 136.27 15.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.351 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -151.86 152.46 32.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.689 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 60.3 p -138.9 126.73 22.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.586 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.2 m -134.71 139.14 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.574 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.802 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -56.34 171.33 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.669 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -74.41 125.31 28.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.471 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.49 -10.8 26.06 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . 0.802 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 41.9 m95 -102.2 148.07 34.87 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 110.774 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -63.51 128.65 22.94 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.922 2.414 . . . . 0.0 111.918 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -92.69 146.63 23.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.714 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . 0.584 ' HB1' ' CD ' ' A' ' 488' ' ' GLN . . . -115.21 -96.89 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.66 HH11 ' CG ' ' A' ' 486' ' ' ARG . 0.0 OUTLIER 68.1 128.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.651 -178.791 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 29.4 t0 67.15 26.21 8.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.53 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.584 ' CD ' ' HB1' ' A' ' 485' ' ' ALA . 73.5 mt-30 -101.99 146.32 28.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 178.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 46.1 t -101.59 129.43 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . 0.463 HD12 ' CD2' ' A' ' 463' ' ' TYR . 48.0 mt -102.03 119.13 49.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.688 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . 0.454 ' HG3' HH22 ' A' ' 496' ' ' ARG . 66.7 tt0 -115.56 93.85 4.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.303 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . 0.79 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 69.7 m-20 -134.33 80.11 53.19 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.708 179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 493' ' ' PRO . . . . . 0.519 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 58.6 Cg_endo -74.1 38.96 0.5 Allowed 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.821 2.347 . . . . 0.0 112.176 -176.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . 0.706 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -98.52 -78.21 0.5 Allowed 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.049 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 495' ' ' PHE . . . . . 0.706 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 31.2 p90 -75.82 -54.83 6.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.881 0.372 . . . . 0.0 110.328 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . 0.79 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 21.5 ptt180 -49.77 -13.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.639 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' GLU . . . . . 0.451 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 58.7 tt0 -91.09 -58.14 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.545 -177.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -95.75 -45.02 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.471 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' TRP . . . . . 0.475 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 6.9 m95 -65.78 -3.54 5.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.477 -177.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 0.991 HG13 ' H ' ' A' ' 501' ' ' GLU . 6.0 p -50.03 -66.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.519 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.991 ' H ' HG13 ' A' ' 500' ' ' VAL . 21.4 pt-20 -48.15 -37.61 16.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.526 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -62.51 -43.69 98.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.571 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.0 m-85 -61.58 -39.9 92.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.66 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.846 HH21 ' H ' ' A' ' 546' ' ' LEU . 1.7 mpt_? -50.93 -36.79 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.774 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -74.98 -10.17 59.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.689 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 90.12 35.44 7.6 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 178.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -77.53 154.2 32.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.784 0.326 . . . . 0.0 110.58 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 536' ' ' LEU . 4.3 tt -139.39 155.93 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.452 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . 0.58 ' O ' ' NE2' ' A' ' 509' ' ' GLN . 0.7 OUTLIER -131.62 122.69 26.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.69 178.021 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.816 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.46 114.19 23.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.383 -177.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . 0.629 HG21 ' HB3' ' A' ' 517' ' ' ALA . 0.4 OUTLIER -129.64 111.55 12.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.645 177.063 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . 0.488 ' OG1' ' NE2' ' A' ' 560' ' ' GLN . 61.7 m -62.78 -58.23 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.51 -179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 515' ' ' PHE . 38.7 t0 -106.61 99.9 9.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.585 -178.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.653 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 43.6 pt -54.33 -11.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.347 -178.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . 0.422 ' H ' ' C ' ' A' ' 513' ' ' ASP . 16.9 m-85 -74.23 -12.91 60.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.436 -177.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -100.23 -13.67 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . 0.629 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -130.83 115.99 17.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.515 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . 0.691 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 102.64 43.96 1.89 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 519' ' ' LEU . 13.4 mt -59.99 34.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.728 0.299 . . . . 0.0 110.676 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.857 HG22 ' H ' ' A' ' 521' ' ' GLU . 40.7 m -75.95 179.6 5.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.54 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.857 ' H ' HG22 ' A' ' 520' ' ' THR . 7.2 pt-20 -104.04 -48.69 3.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.37 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 13.7 p -72.29 -44.15 63.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.222 -177.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.609 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 2.4 t60 -58.77 -55.38 35.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.393 -177.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 520' ' ' THR . 38.8 mt -52.17 -46.0 65.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.495 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 80.7 m-20 -72.53 -9.69 58.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.79 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . 0.446 HE21 ' HB3' ' A' ' 526' ' ' GLN . 3.8 tt0 -90.86 -28.81 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.619 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 527' ' ' LEU . 9.2 mp -96.85 -20.12 18.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.589 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 2.8 ttt180 -54.34 -45.42 99.28 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.69 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 12.4 Cg_exo -69.12 -29.21 27.31 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.8 2.333 . . . . 0.0 112.076 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.441 ' O ' ' NH1' ' A' ' 459' ' ' ARG . 35.4 mt -85.28 -13.02 51.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.51 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? 65.2 23.62 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.465 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 13.7 t -70.58 114.56 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.522 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 60.7 mtp180 -123.78 73.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.588 178.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.653 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 172.08 -169.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.19 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . 0.551 ' CB ' HE22 ' A' ' 509' ' ' GLN . 19.6 t-20 -172.86 101.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 111.032 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . 0.503 HD11 HD11 ' A' ' 508' ' ' ILE . 61.5 tp -136.73 112.37 9.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.125 177.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 537' ' ' VAL . 35.1 m -117.17 120.16 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.976 0.417 . . . . 0.0 111.163 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.676 ' O ' HD12 ' A' ' 549' ' ' LEU . 2.1 t -115.91 109.6 44.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.998 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -62.83 133.28 41.02 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.799 2.332 . . . . 0.0 112.33 -174.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.445 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 70.8 mmm -125.46 102.35 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.207 176.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 541' ' ' VAL . 3.6 m -117.48 123.02 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.979 -176.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 545' ' ' GLN . 75.3 mt -105.7 141.88 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.913 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 45.27 41.07 5.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 61.81 26.52 16.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.477 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 542' ' ' ILE . 7.7 tt0 -127.47 132.81 49.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.589 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . 0.846 ' H ' HH21 ' A' ' 504' ' ' ARG . 18.3 tp -68.43 92.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.525 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 465' ' ' PHE . 0.0 OUTLIER -81.89 -41.15 21.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.583 -177.557 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . 0.446 ' N ' ' CD2' ' A' ' 547' ' ' PHE . . . -162.59 -179.48 37.21 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -177.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 538' ' ' VAL . 14.5 tp -147.62 139.07 23.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.773 0.32 . . . . 0.0 110.353 -178.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 549' ' ' LEU . 21.7 tp -103.23 110.25 22.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.472 ' CG2' HG12 ' A' ' 537' ' ' VAL . 0.2 OUTLIER -115.78 132.03 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 -178.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . 0.485 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -122.26 147.94 45.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.534 ' O ' ' O ' ' A' ' 459' ' ' ARG . 1.2 m80 -151.99 149.15 28.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.62 ' NE2' ' NH1' ' A' ' 559' ' ' ARG . 24.4 mp0 -94.55 108.98 20.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.729 177.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.92 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.319 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 557' ' ' GLU . 93.4 p -67.82 -72.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.268 -178.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.454 ' N ' ' OG ' ' A' ' 556' ' ' SER . 41.8 mt-10 -146.49 159.42 44.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.479 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -46.31 162.44 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.946 2.431 . . . . 0.0 112.038 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.62 ' NH1' ' NE2' ' A' ' 554' ' ' GLN . 23.4 ttt-85 -159.13 153.08 23.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.692 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . 0.488 ' NE2' ' OG1' ' A' ' 512' ' ' THR . 9.4 tp-100 -111.83 109.78 19.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.516 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.816 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.1 OUTLIER -80.53 117.49 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.7 178.061 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -68.77 161.23 28.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.37 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -58.38 -34.98 71.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.472 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . 0.506 HG22 ' NE2' ' A' ' 568' ' ' GLN . 37.1 mm -63.9 -38.78 83.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.465 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.15 -33.08 74.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.498 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.37 -45.74 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.587 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -52.53 -48.2 66.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.579 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.597 ' OE1' ' N ' ' A' ' 568' ' ' GLN . 0.5 OUTLIER -61.71 -40.12 93.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.291 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.613 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.4 m-85 -57.48 -42.48 82.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.371 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 11.2 t -59.92 -51.34 70.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.374 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -63.19 -42.35 99.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.365 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 16.4 tp -62.27 -52.5 63.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.489 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.445 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -64.25 -42.16 96.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.623 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.7 p -56.05 -32.62 64.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.571 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.0 m -59.08 -43.37 91.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.762 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.27 -46.06 87.08 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 1.5 t -50.2 -43.45 52.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.729 0.3 . . . . 0.0 110.712 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -56.25 -42.2 77.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.67 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.55 -179.175 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . 0.475 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 4.6 ptp180 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.793 0.33 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . 0.519 ' OE1' ' NH2' ' A' ' 486' ' ' ARG . 61.4 tp60 -68.74 -29.34 67.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.708 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.17 -58.01 4.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.61 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . 0.567 HG21 HG11 ' A' ' 579' ' ' VAL . 13.8 pt -45.19 -38.43 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . 0.41 ' N ' HG13 ' A' ' 443' ' ' ILE . 31.1 m-85 -61.18 -46.44 90.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.011 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 77.6 mm-40 -52.27 -37.9 56.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.02 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 97.1 m -60.33 -46.25 90.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.999 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.558 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.7 mt -62.04 -53.82 50.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.644 HG22 HG21 ' A' ' 462' ' ' VAL . 2.4 t -68.37 -38.25 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.148 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -62.43 -45.91 90.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.821 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -70.91 -43.1 68.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.827 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -51.53 -50.49 41.85 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 9.4 ptm180 -77.97 -30.63 50.36 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.071 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -77.89 -55.76 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.738 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 39.7 mt -65.76 -41.41 92.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.682 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 11.9 mt -89.86 -13.22 36.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.803 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . 0.452 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 58.99 55.33 4.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.339 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 76.0 m -95.12 154.78 17.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.741 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -77.7 -51.59 10.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.493 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 553' ' ' HIS . 21.8 ttt180 -139.06 140.24 38.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 19.7 m -145.82 133.04 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.515 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 25.3 mt -114.9 137.53 48.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.829 -178.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.644 HG21 HG22 ' A' ' 448' ' ' VAL . 2.6 t -135.71 126.23 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.466 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.496 ' CD2' HD12 ' A' ' 490' ' ' ILE . 27.0 p90 -140.65 145.35 36.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.609 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -85.39 146.55 26.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.411 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 547' ' ' PHE . 1.9 m-85 -82.18 147.36 29.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -111.85 -172.18 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.549 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 58.8 p30 -81.65 -12.48 58.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 467' ' ' ASP . 83.4 m-20 -104.75 28.07 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.497 -179.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . 0.424 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 7.4 m-85 54.61 19.71 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.394 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 39.1 t -109.48 129.13 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.572 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.444 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -79.53 173.35 55.17 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -177.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 68.8 m -147.39 107.1 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . 0.41 ' HB ' ' H ' ' A' ' 488' ' ' GLN . 21.4 t -66.64 92.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.737 -178.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.512 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 15.0 p -89.26 -21.81 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.362 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . 0.519 ' HB2' ' NE2' ' A' ' 441' ' ' GLN . . . -153.75 137.57 16.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.431 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -154.93 152.96 30.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.704 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 57.7 m -139.97 127.99 22.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.633 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.14 142.32 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.591 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.721 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -58.16 172.83 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.684 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -75.49 126.13 30.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.442 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 113.83 -12.8 22.53 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . 0.721 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 48.5 m95 -99.8 167.9 10.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.811 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -85.52 127.85 3.34 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 123.046 2.497 . . . . 0.0 111.887 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -90.54 147.44 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.694 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -113.87 -105.03 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.656 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.519 ' NH2' ' OE1' ' A' ' 441' ' ' GLN . 0.0 OUTLIER 67.27 124.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.671 -178.366 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . 0.418 ' N ' ' HD3' ' A' ' 486' ' ' ARG . 18.0 t0 73.78 18.35 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.575 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.41 ' H ' ' HB ' ' A' ' 473' ' ' VAL . 26.1 mt-30 -102.55 149.46 24.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.553 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 489' ' ' VAL . 7.8 p -105.13 128.77 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . 0.496 HD12 ' CD2' ' A' ' 463' ' ' TYR . 70.1 mt -104.01 119.38 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.708 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . 0.451 ' HA ' HH12 ' A' ' 496' ' ' ARG . 87.4 mt-10 -111.5 95.1 5.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.324 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . 0.679 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 0.3 OUTLIER -130.8 75.42 78.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 179.192 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 493' ' ' PRO . . . . . 0.548 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 46.2 Cg_endo -70.16 32.51 0.2 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.758 2.305 . . . . 0.0 112.174 -178.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . 0.769 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -92.78 -77.83 0.43 Allowed 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.89 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 495' ' ' PHE . . . . . 0.769 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 24.9 p90 -76.66 -50.84 12.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 0.0 110.343 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . 0.679 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 26.6 ptt180 -52.93 -14.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.655 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' GLU . . . . . 0.454 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 74.4 tt0 -89.89 -58.89 2.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.563 -178.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' HIS . . . . . 0.47 ' C ' ' H ' ' A' ' 500' ' ' VAL . 3.4 m80 -92.66 -42.81 9.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.453 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' TRP . . . . . 0.459 ' N ' ' O ' ' A' ' 495' ' ' PHE . 12.7 m95 -75.51 22.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 -178.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 1.032 HG13 ' H ' ' A' ' 501' ' ' GLU . 4.1 p -71.47 -69.38 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 1.032 ' H ' HG13 ' A' ' 500' ' ' VAL . 20.4 mt-10 -47.7 -38.26 14.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -59.02 -44.16 91.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . 0.452 ' OH ' HG21 ' A' ' 537' ' ' VAL . 3.8 m-85 -62.43 -40.66 97.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.603 HH21 ' CB ' ' A' ' 546' ' ' LEU . 15.3 mmt85 -49.25 -35.47 17.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -77.52 -8.77 58.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 89.11 35.62 8.05 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -78.39 155.46 29.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.628 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.441 HD13 HG21 ' A' ' 566' ' ' ILE . 4.8 pt -137.64 157.32 33.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.439 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . 0.677 ' CD ' ' HG1' ' A' ' 511' ' ' THR . 1.4 tm0? -134.25 119.57 18.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.638 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.76 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -112.59 113.53 25.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.361 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . 0.677 ' HG1' ' CD ' ' A' ' 509' ' ' GLN . 0.0 OUTLIER -128.04 106.03 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.645 178.017 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 64.4 m -61.91 -62.04 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.494 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.9 t0 -102.89 96.71 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.541 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 43.9 pt -51.85 -10.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.309 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . 0.473 ' H ' ' C ' ' A' ' 513' ' ' ASP . 23.3 m-85 -78.58 3.12 17.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.483 -178.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . 0.57 ' HE3' HG22 ' A' ' 511' ' ' THR . 11.7 pttp -115.58 -13.56 11.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.633 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . 0.603 ' CB ' HG21 ' A' ' 511' ' ' THR . . . -130.03 114.53 15.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.586 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . 0.685 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 100.17 44.84 2.13 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 178.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 519' ' ' LEU . 10.1 mt -59.34 35.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 0.0 110.608 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.918 HG22 ' H ' ' A' ' 521' ' ' GLU . 2.4 m -76.84 -172.63 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.494 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.918 ' H ' HG22 ' A' ' 520' ' ' THR . 21.2 pt-20 -112.6 -43.35 3.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.352 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 521' ' ' GLU . 49.8 t -70.51 -40.3 73.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.213 -178.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -61.02 -54.32 46.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.422 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' A' ' 524' ' ' LEU . 14.1 mt -51.68 -46.37 63.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.434 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -72.81 -8.34 55.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.743 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' A' ' 526' ' ' GLN . 3.6 tt0 -92.45 -30.33 15.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.592 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 527' ' ' LEU . 10.9 mp -98.36 -29.2 13.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.582 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.544 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 7.7 mtp180 -41.39 -59.06 2.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.649 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 18.2 Cg_endo -60.91 -24.56 79.62 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.792 2.328 . . . . 0.0 112.074 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 26.5 mt -86.23 -11.56 52.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.522 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 531' ' ' LYS . 0.0 OUTLIER 54.12 27.59 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.55 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 5.9 t -76.09 124.66 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 27.9 mtp85 -124.57 73.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 178.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.541 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.25 -174.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.251 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . 0.604 ' ND2' ' NE2' ' A' ' 509' ' ' GLN . 42.7 t-20 -177.31 100.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.03 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 28.8 tp -132.26 118.49 19.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.118 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 537' ' ' VAL . 34.9 m -116.8 122.89 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.193 -178.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.641 ' O ' HD12 ' A' ' 549' ' ' LEU . 73.5 t -120.43 111.39 34.98 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.947 178.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.31 133.1 33.73 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.778 2.319 . . . . 0.0 112.321 -173.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 66.4 mmm -117.45 109.18 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.262 175.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.1 t -118.88 124.92 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.961 0.41 . . . . 0.0 110.956 -175.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 545' ' ' GLN . 88.0 mt -113.27 139.68 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.845 177.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 44.98 35.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.056 0.455 . . . . 0.0 109.811 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 0.9 OUTLIER 68.96 25.37 6.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.445 179.33 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 542' ' ' ILE . 8.5 tt0 -127.58 136.33 51.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . 0.603 ' CB ' HH21 ' A' ' 504' ' ' ARG . 14.9 tp -72.8 93.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.543 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -86.54 -37.97 17.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.58 -176.791 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . 0.577 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -157.03 -178.94 31.58 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.641 HD12 ' O ' ' A' ' 538' ' ' VAL . 15.4 tp -153.3 138.23 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.704 0.288 . . . . 0.0 110.354 -178.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.592 ' H ' HD12 ' A' ' 549' ' ' LEU . 22.9 tp -105.13 116.88 32.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.678 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.532 HG22 ' NE2' ' A' ' 553' ' ' HIS . 5.0 mt -121.39 132.38 70.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.555 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.94 146.66 36.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.634 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.537 ' O ' ' O ' ' A' ' 459' ' ' ARG . 34.1 m80 -142.99 135.65 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -96.96 103.04 14.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.799 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.491 ' HB1' ' CZ3' ' A' ' 482' ' ' TRP . . . -66.56 -38.33 86.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.307 -177.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 33.4 t -60.38 -72.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.325 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.13 161.7 29.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.536 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . 0.517 ' HD3' ' HE ' ' A' ' 533' ' ' ARG . 5.4 Cg_endo -46.13 157.92 0.36 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.888 2.392 . . . . 0.0 112.024 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.568 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 43.1 ttt85 -155.02 150.47 27.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.52 109.42 19.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.449 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.76 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.2 OUTLIER -82.1 118.56 23.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.763 178.209 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -70.78 160.97 31.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.323 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . 0.424 ' HG2' ' H ' ' A' ' 563' ' ' GLU . 6.2 pt-20 -57.13 -33.35 67.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.466 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . 0.568 HG22 HE21 ' A' ' 568' ' ' GLN . 22.0 mm -63.48 -39.74 86.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.436 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.576 ' OE1' ' N ' ' A' ' 565' ' ' GLU . 3.1 mp0 -62.11 -32.34 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.609 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.441 HG21 HD13 ' A' ' 508' ' ' ILE . 20.4 mm -67.62 -44.87 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 177.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -53.76 -49.37 68.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.565 177.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.568 HE21 HG22 ' A' ' 564' ' ' ILE . 40.8 mt-30 -59.54 -41.4 89.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.626 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 6.2 m-85 -58.28 -42.28 86.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.438 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 60.0 p -60.19 -53.35 58.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.417 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' A' ' 575' ' ' THR . 79.1 mm-40 -62.34 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.355 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 39.4 tp -63.3 -53.93 45.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.52 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.407 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -65.57 -44.02 88.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.533 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.3 p -58.12 -31.92 67.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 571' ' ' GLU . 49.0 m -56.72 -49.01 76.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.729 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -54.27 -44.41 75.42 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -41.01 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.649 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.38 -42.6 87.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.612 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.567 HG11 HG21 ' A' ' 443' ' ' ILE . 46.8 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.639 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . 0.476 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 2.2 ptp180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.747 0.308 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . 0.559 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 34.5 tp60 -68.9 -29.41 67.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.64 -177.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.39 -57.57 5.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . 0.616 HG21 HG11 ' A' ' 579' ' ' VAL . 15.7 pt -45.43 -36.49 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.712 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . 0.462 ' O ' HG23 ' A' ' 448' ' ' VAL . 36.1 m-85 -64.75 -45.19 87.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 45.1 tp10 -51.74 -37.63 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.025 -178.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 443' ' ' ILE . 69.5 p -61.61 -47.18 86.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.05 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.5 ' N ' HD23 ' A' ' 447' ' ' LEU . 4.5 mt -57.78 -52.26 66.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 179.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.582 HG22 HG21 ' A' ' 462' ' ' VAL . 1.4 t -70.88 -35.89 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.17 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -66.63 -48.2 70.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.879 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -71.86 -43.16 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -51.84 -48.98 49.75 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -78.76 -30.07 45.46 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.059 -178.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -78.31 -59.59 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.65 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.78 -41.45 97.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.754 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.585 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.3 mt -89.88 -10.75 44.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.719 -178.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 58.5 54.97 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.426 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 4.8 t -94.24 156.4 16.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.66 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -80.86 -50.36 9.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.446 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 553' ' ' HIS . 25.0 ttt180 -142.04 136.52 30.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.596 -178.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.58 131.47 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.455 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.99 141.58 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.774 -176.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.582 HG21 HG22 ' A' ' 448' ' ' VAL . 2.3 t -133.58 130.12 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.419 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 18.6 p90 -137.37 159.23 42.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.717 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -101.6 142.23 33.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.437 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . 0.443 ' CE2' HD21 ' A' ' 546' ' ' LEU . 1.5 m-85 -80.59 144.27 32.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.626 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -111.61 -171.07 1.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.483 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -81.26 -15.42 55.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.421 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . 0.645 ' O ' HG23 ' A' ' 470' ' ' VAL . 83.0 m-20 -102.48 27.12 7.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.557 -178.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . 0.488 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.6 m-85 55.24 20.27 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.358 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 468' ' ' ASN . 65.8 t -107.11 126.77 63.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.608 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.431 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -77.72 173.97 54.91 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -177.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . 0.428 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 70.5 m -147.26 106.3 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.593 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.19 83.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.688 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.559 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 33.4 m -78.15 -20.81 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . 0.544 ' HB2' ' NE2' ' A' ' 441' ' ' GLN . . . -154.82 142.71 20.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.378 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -158.56 154.18 26.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.68 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 40.4 m -138.87 128.74 25.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.533 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.52 142.74 37.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.588 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.723 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -59.01 171.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.77 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -73.99 126.26 30.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.482 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 113.03 -11.48 24.69 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . 0.723 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 43.8 m95 -100.87 168.05 9.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 178.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -86.44 127.9 2.91 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.027 2.485 . . . . 0.0 111.911 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -89.49 147.4 24.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.728 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -111.11 -108.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.631 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.54 ' NH2' ' OE1' ' A' ' 441' ' ' GLN . 0.0 OUTLIER 68.63 122.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.723 -178.439 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 10.1 t0 79.07 14.56 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -102.85 145.82 29.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 489' ' ' VAL . 33.0 m -104.48 130.58 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.641 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 79.4 mt -99.88 117.08 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.715 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -110.57 92.21 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.274 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . 0.661 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 7.1 m-20 -128.82 75.86 79.57 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.731 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 493' ' ' PRO . . . . . 0.506 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 37.5 Cg_endo -67.13 30.32 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.708 2.272 . . . . 0.0 112.206 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . 0.759 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -92.82 -80.6 0.37 Allowed 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.074 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 495' ' ' PHE . . . . . 0.759 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 19.7 p90 -75.3 -52.58 10.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.361 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . 0.661 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 21.2 ptt180 -51.07 -13.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.628 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' GLU . . . . . 0.468 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 65.0 tt0 -90.89 -58.0 2.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.575 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 494' ' ' CYS . 2.1 m80 -94.19 -41.31 9.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.492 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' TRP . . . . . 0.462 ' N ' ' O ' ' A' ' 495' ' ' PHE . 9.8 m95 -74.42 14.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.485 -177.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 1.024 HG13 ' H ' ' A' ' 501' ' ' GLU . 3.6 p -65.13 -69.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.517 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 1.024 ' H ' HG13 ' A' ' 500' ' ' VAL . 86.6 tt0 -48.1 -37.94 16.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -58.32 -44.94 88.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.557 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 506' ' ' GLY . 3.7 m-85 -61.69 -40.43 94.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.569 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.63 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.4 mmt85 -50.24 -35.32 26.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 178.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -76.86 -9.39 58.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.661 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 89.11 35.41 8.16 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -77.44 156.58 31.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.617 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 566' ' ' ILE . 4.7 pt -137.48 155.29 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.45 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . 0.568 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 0.9 OUTLIER -129.97 120.22 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.678 177.514 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.813 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.83 114.25 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.337 -178.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . 0.712 HG21 ' HB3' ' A' ' 517' ' ' ALA . 0.2 OUTLIER -128.76 109.38 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.708 177.338 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 99.6 m -62.19 -56.86 14.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.51 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' A' ' 515' ' ' PHE . 42.9 t0 -110.68 99.85 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.607 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.552 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 35.2 pt -52.12 -9.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.356 -177.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' A' ' 513' ' ' ASP . 24.2 m-85 -82.05 5.97 17.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.401 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -116.98 -16.88 10.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.654 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . 0.712 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -131.25 115.42 16.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . 0.718 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 105.02 44.86 1.44 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.43 33.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.66 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.718 ' H ' ' C ' ' A' ' 518' ' ' GLY . 28.0 p -75.92 -173.56 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.456 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -112.51 -62.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.357 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . . . . . . . . . 41.9 t -55.48 -34.69 64.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.257 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -63.49 -54.4 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.448 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 11.9 mt -51.2 -46.78 62.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.555 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -71.94 -9.73 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.749 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -91.82 -29.65 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.625 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 527' ' ' LEU . 11.0 mp -95.27 -30.14 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.641 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.569 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 0.0 OUTLIER -43.31 -57.46 5.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.649 -179.729 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 20.7 Cg_endo -61.39 -26.23 81.11 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.804 2.336 . . . . 0.0 112.067 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 21.3 mt -87.62 -11.44 48.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.536 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 531' ' ' LYS . 3.4 ttmm 54.36 28.47 9.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 10.0 t -75.36 124.83 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.58 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 77.5 mtt-85 -127.57 74.95 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.54 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.552 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 170.85 -171.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.225 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . 0.546 ' ND2' ' NE2' ' A' ' 509' ' ' GLN . 15.9 t-20 -174.57 99.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.09 178.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . 0.69 HD13 ' CD1' ' A' ' 561' ' ' TRP . 14.7 tp -132.59 111.61 11.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.16 177.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 537' ' ' VAL . 27.3 m -121.32 120.09 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.181 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.64 HG13 ' O ' ' A' ' 538' ' ' VAL . 14.5 p -117.68 114.73 37.65 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.034 177.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.22 135.15 49.02 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.813 2.342 . . . . 0.0 112.298 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.505 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 72.7 mmm -116.58 108.0 15.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.249 175.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 8.7 t -118.2 127.75 75.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.942 0.401 . . . . 0.0 110.942 -175.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 545' ' ' GLN . 96.7 mt -114.85 139.01 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.936 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 59.6 t0 44.44 32.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.081 0.467 . . . . 0.0 109.799 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 22.0 t0 73.04 26.3 2.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.484 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 542' ' ' ILE . 25.1 mt-30 -129.38 137.78 51.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.593 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . 0.63 ' CB ' HH21 ' A' ' 504' ' ' ARG . 13.3 tp -74.27 94.06 2.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.501 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.587 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -86.05 -39.42 16.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.483 -177.016 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . 0.587 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -154.51 -179.47 29.8 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -176.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 43.9 tp -152.29 135.71 15.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.351 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.536 ' CD1' HG22 ' A' ' 462' ' ' VAL . 25.6 tp -106.85 118.48 36.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.664 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.463 HG22 ' NE2' ' A' ' 553' ' ' HIS . 6.6 mt -123.44 134.94 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.582 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.1 142.68 41.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.463 ' NE2' HG22 ' A' ' 551' ' ' ILE . 31.2 m80 -137.86 138.31 38.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.677 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -90.28 112.82 24.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.734 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.522 ' O ' ' CH2' ' A' ' 482' ' ' TRP . . . -81.13 -11.13 59.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.267 -178.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 68.4 p -99.04 -73.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.305 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.71 158.46 49.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -47.68 158.64 0.68 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.879 2.386 . . . . 0.0 112.062 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.58 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 48.8 ttt85 -152.25 148.35 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . 0.75 ' N ' HE21 ' A' ' 560' ' ' GLN . 0.0 OUTLIER -107.75 108.91 20.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.478 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.813 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.3 OUTLIER -84.95 122.66 29.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.717 179.203 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -73.01 159.76 33.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.378 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -57.1 -33.28 67.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.437 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . 0.525 HG22 HE21 ' A' ' 568' ' ' GLN . 97.0 mt -64.45 -37.98 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.473 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.95 -32.53 73.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.575 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.561 ' CD1' HD11 ' A' ' 536' ' ' LEU . 17.5 mm -67.14 -46.97 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.596 177.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -50.6 -47.81 57.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.528 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.525 HE21 HG22 ' A' ' 564' ' ' ILE . 42.2 mt-30 -60.66 -41.68 95.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.526 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.585 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 5.2 m-85 -57.83 -42.94 85.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.462 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 67.0 m -60.39 -52.08 66.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.304 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.432 ' O ' ' OG ' ' A' ' 574' ' ' SER . 96.1 mt-10 -63.5 -42.9 98.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.354 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 575' ' ' THR . 44.5 tp -61.43 -54.21 46.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.491 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.505 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -63.9 -40.39 96.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . 0.589 ' O ' ' OG ' ' A' ' 577' ' ' SER . 93.9 p -55.32 -37.48 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.647 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 572' ' ' LEU . 0.7 OUTLIER -53.43 -40.21 64.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.674 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 575' ' ' THR . . . -62.49 -47.48 89.08 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . 0.589 ' OG ' ' O ' ' A' ' 574' ' ' SER . 0.1 OUTLIER -51.89 -41.09 61.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.732 0.301 . . . . 0.0 110.691 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 574' ' ' SER . 10.7 mt -54.75 -43.41 72.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.621 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.616 HG11 HG21 ' A' ' 443' ' ' ILE . 61.2 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.596 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . 0.487 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 3.9 ptp180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.755 0.312 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . 0.597 ' NE2' ' HB2' ' A' ' 475' ' ' ALA . 67.9 tp60 -68.38 -29.85 68.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.65 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -67.09 -56.31 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.627 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . 0.586 HG21 HG11 ' A' ' 579' ' ' VAL . 13.7 pt -48.66 -39.42 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.746 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' PHE . . . . . 0.43 ' N ' HG13 ' A' ' 443' ' ' ILE . 30.7 m-85 -60.26 -48.91 79.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 97.9 mt-10 -51.61 -37.37 49.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 61.3 m -60.49 -44.69 95.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.013 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.547 ' N ' HD23 ' A' ' 447' ' ' LEU . 3.4 mt -61.99 -53.73 51.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.151 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.659 HG22 HG21 ' A' ' 462' ' ' VAL . 1.6 t -69.31 -39.19 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.14 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -66.91 -47.15 72.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.779 -178.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -71.37 -43.36 67.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.872 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . 0.434 ' O ' ' HG ' ' A' ' 455' ' ' LEU . . . -53.14 -46.91 61.8 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' ARG . . . . . 0.418 HH11 ' HB3' ' A' ' 452' ' ' ARG . 4.6 ptm85 -78.94 -26.39 43.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.734 0.302 . . . . 0.0 111.074 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -74.5 -57.06 4.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.696 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.35 -44.48 71.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.718 -177.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.593 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.6 mt -81.68 -16.69 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.745 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 60.28 54.4 3.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.382 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 19.3 t -92.21 161.12 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.662 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -86.35 -50.95 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.447 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 553' ' ' HIS . 42.8 ttt180 -142.34 139.46 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 -178.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.23 135.83 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.496 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 16.0 mt -114.88 137.8 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.918 0.389 . . . . 0.0 110.785 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.659 HG21 HG22 ' A' ' 448' ' ' VAL . 2.9 t -133.15 122.82 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.427 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 26.6 p90 -140.63 141.39 35.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.711 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -82.34 148.59 28.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.395 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.3 m-85 -82.06 149.35 28.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.666 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 42.4 t0 -110.68 -173.99 2.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.534 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . 0.511 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 85.5 m-20 -80.17 -14.89 58.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.482 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . 0.423 ' O ' HG23 ' A' ' 470' ' ' VAL . 94.3 m-20 -104.35 29.33 6.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.449 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 469' ' ' TYR . . . . . 0.562 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 40.7 m-85 55.79 18.26 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.445 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 468' ' ' ASN . 54.3 t -108.96 129.92 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.603 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.407 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -82.87 174.32 52.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 -177.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 90.0 m -148.05 109.26 4.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 0.0 110.575 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 488' ' ' GLN . 48.6 t -68.01 95.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.697 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 8.8 p -91.86 -21.92 6.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.421 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . 0.597 ' HB2' ' NE2' ' A' ' 441' ' ' GLN . . . -153.68 138.4 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.434 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -155.63 151.29 27.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.668 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 18.7 m -136.21 124.65 23.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.11 143.46 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 -178.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.608 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -60.4 171.24 1.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.757 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -73.2 127.85 33.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.467 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.8 -9.63 25.57 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 482' ' ' TRP . . . . . 0.608 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 32.6 m95 -105.03 167.96 9.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.923 0.392 . . . . 0.0 110.822 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -84.8 129.85 4.15 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.033 2.489 . . . . 0.0 111.912 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -97.69 147.53 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.78 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -114.47 -96.17 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.607 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.555 HH21 ' CD ' ' A' ' 441' ' ' GLN . 0.0 OUTLIER 67.08 31.91 6.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.697 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 487' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 487' ' ' ASP . 1.0 OUTLIER 168.0 22.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.521 179.107 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.468 ' O ' HG23 ' A' ' 473' ' ' VAL . 27.0 mt-30 -104.31 144.52 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.551 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 6.0 p -105.41 134.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.62 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 80.3 mt -107.95 130.67 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.669 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . 0.448 ' HA ' HH12 ' A' ' 496' ' ' ARG . 94.1 mt-10 -124.55 94.87 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.333 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . 0.743 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 9.5 m-20 -131.52 81.77 63.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.681 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 493' ' ' PRO . . . . . 0.574 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 59.4 Cg_endo -73.96 36.65 0.41 Allowed 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.746 2.297 . . . . 0.0 112.162 -177.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . 0.663 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -96.86 -76.76 0.5 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.258 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 495' ' ' PHE . . . . . 0.663 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 35.2 p90 -76.44 -53.78 7.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.918 0.389 . . . . 0.0 110.31 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . 0.743 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 26.4 ptt180 -50.44 -13.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.633 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' GLU . . . . . 0.545 ' OE1' ' CD2' ' A' ' 498' ' ' HIS . 5.6 tm-20 -91.57 -57.87 2.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.514 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' HIS . . . . . 0.545 ' CD2' ' OE1' ' A' ' 497' ' ' GLU . 2.1 m80 -95.23 -43.73 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.442 -177.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' TRP . . . . . 0.402 ' N ' ' O ' ' A' ' 495' ' ' PHE . 10.9 m95 -70.56 5.18 1.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.539 -177.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 1.029 HG13 ' H ' ' A' ' 501' ' ' GLU . 5.2 p -56.73 -67.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 1.029 ' H ' HG13 ' A' ' 500' ' ' VAL . 86.2 tt0 -47.48 -41.16 20.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.579 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.18 88.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.484 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . 0.448 ' OH ' HG21 ' A' ' 537' ' ' VAL . 3.7 m-85 -61.97 -41.16 97.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.634 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.5 mmt85 -49.96 -33.96 19.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -78.32 -9.96 59.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.725 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 90.15 35.53 7.54 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -79.24 157.85 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.574 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.579 HD13 HG21 ' A' ' 566' ' ' ILE . 4.7 pt -139.64 158.78 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.477 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' GLN . . . . . 0.593 ' O ' ' NE2' ' A' ' 509' ' ' GLN . 0.6 OUTLIER -132.24 123.36 26.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.665 177.359 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' ALA . . . . . 0.787 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.98 112.85 21.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.354 -177.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' THR . . . . . 0.56 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.2 OUTLIER -129.46 108.43 10.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.688 177.528 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' THR . . . . . 0.473 HG22 ' HB3' ' A' ' 558' ' ' PRO . 85.5 m -61.75 -61.93 2.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.473 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 515' ' ' PHE . 39.6 t0 -103.71 98.99 8.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.635 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.62 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 44.5 pt -54.4 -10.19 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.365 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' PHE . . . . . 0.443 ' H ' ' C ' ' A' ' 513' ' ' ASP . 16.2 m-85 -74.37 -13.57 60.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.448 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . 0.549 ' HE3' HG22 ' A' ' 511' ' ' THR . 10.8 pttp -100.38 -10.89 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.516 178.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . 0.55 ' CB ' HG21 ' A' ' 511' ' ' THR . . . -132.44 116.1 16.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.665 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' GLY . . . . . 0.727 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 102.65 44.48 1.8 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.31 32.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 110.667 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.727 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.2 OUTLIER -77.51 -175.58 3.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.598 ' H ' HG22 ' A' ' 520' ' ' THR . 18.6 pt-20 -108.69 -48.41 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.277 -178.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' CYS . . . . . 0.634 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 9.9 p -70.88 -44.75 65.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.243 -177.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.634 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 50.1 t60 -57.65 -54.35 47.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.419 -178.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.484 HD21 ' O ' ' A' ' 518' ' ' GLY . 23.7 mt -54.65 -46.54 73.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 81.1 m-20 -73.04 -10.4 59.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.743 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' GLN . . . . . 0.444 HE21 ' HB3' ' A' ' 526' ' ' GLN . 3.9 tt0 -90.09 -29.83 18.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.589 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 527' ' ' LEU . 10.0 mp -98.35 -8.3 27.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . 0.585 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 3.6 ttp85 -65.2 -45.5 71.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.6 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 11.2 Cg_exo -70.53 -28.51 21.47 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.806 2.337 . . . . 0.0 112.091 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 36.3 mt -84.36 -13.92 50.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.506 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.6 tptm 67.1 21.81 10.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.521 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 19.1 t -70.06 114.89 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.594 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 35.1 mtp180 -125.14 74.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.62 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 173.11 -170.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.192 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . 0.498 ' CG ' HE22 ' A' ' 509' ' ' GLN . 16.2 t-20 -173.59 98.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.991 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 20.0 tp -136.99 113.58 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.069 177.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 537' ' ' VAL . 33.9 m -117.85 124.74 73.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.212 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.674 ' O ' HD12 ' A' ' 549' ' ' LEU . 97.3 t -119.73 113.12 34.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.025 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.75 133.91 35.76 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.798 2.332 . . . . 0.0 112.371 -174.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.544 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 71.7 mmm -116.82 112.43 21.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.207 175.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.4 t -120.6 124.55 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.959 -176.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.6 mt -113.57 139.96 36.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.89 177.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 44.16 34.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.019 0.437 . . . . 0.0 109.853 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 0.5 OUTLIER 70.8 26.36 3.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.44 179.138 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 542' ' ' ILE . 23.3 mt-30 -129.51 138.39 51.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' LEU . . . . . 0.634 ' CB ' HH21 ' A' ' 504' ' ' ARG . 11.1 tp -74.47 94.03 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.529 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -86.64 -37.42 18.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.566 -177.558 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . 0.557 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -156.49 -177.62 29.82 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -176.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 538' ' ' VAL . 12.0 tp -154.42 137.79 15.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.308 . . . . 0.0 110.304 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.587 ' CD1' HG22 ' A' ' 462' ' ' VAL . 27.0 tp -105.73 117.77 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.694 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.618 HG22 ' NE2' ' A' ' 553' ' ' HIS . 2.1 mt -123.05 134.07 67.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . 0.449 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -119.71 147.21 44.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.58 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.618 ' NE2' HG22 ' A' ' 551' ' ' ILE . 1.0 OUTLIER -149.81 149.59 30.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.682 178.55 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.687 ' NE2' HH11 ' A' ' 559' ' ' ARG . 20.8 mp0 -89.96 115.94 27.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.754 177.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -76.1 -13.3 60.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.336 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 16.9 t -95.21 -71.88 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.307 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -143.32 154.73 61.04 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.458 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' PRO . . . . . 0.473 ' HB3' HG22 ' A' ' 512' ' ' THR . 75.9 Cg_exo -43.69 164.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.949 2.433 . . . . 0.0 112.002 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.687 HH11 ' NE2' ' A' ' 554' ' ' GLN . 19.0 ttt-85 -160.67 152.94 20.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.725 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' GLN . . . . . 0.406 ' N ' ' CG ' ' A' ' 559' ' ' ARG . 51.5 tp60 -109.25 109.68 20.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.412 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' TRP . . . . . 0.787 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.1 OUTLIER -82.1 118.76 23.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.734 178.595 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -70.35 159.04 34.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.345 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -56.93 -35.56 69.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' ILE . . . . . 0.43 HG22 HE21 ' A' ' 568' ' ' GLN . 97.0 mt -61.64 -40.29 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.443 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.423 ' OE1' HD22 ' A' ' 455' ' ' LEU . 77.5 mm-40 -61.59 -32.73 72.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.55 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.579 HG21 HD13 ' A' ' 508' ' ' ILE . 25.8 mm -65.91 -47.44 85.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 177.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -51.46 -48.62 62.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.43 HE21 HG22 ' A' ' 564' ' ' ILE . 42.5 mt-30 -61.52 -40.78 95.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' PHE . . . . . 0.593 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 5.4 m-85 -57.33 -43.05 83.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.389 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' SER . . . . . 0.476 ' O ' ' OG ' ' A' ' 574' ' ' SER . 15.4 t -59.6 -50.63 73.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.377 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.01 -42.95 99.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.335 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.44 -54.8 38.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.481 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.544 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -66.3 -43.3 86.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.501 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 570' ' ' SER . 75.3 m -56.46 -34.76 67.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.642 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 41.4 m -55.58 -49.54 72.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.722 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -53.68 -44.23 69.1 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.5 -40.58 59.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.676 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.81 -44.28 94.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.662 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.586 HG11 HG21 ' A' ' 443' ' ' ILE . 40.0 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.638 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -126.19 149.15 49.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.59 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -81.63 5.3 18.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 47.5 t -100.15 125.4 53.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.544 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -83.94 151.03 25.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.634 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.75 -20.57 63.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 28.9 t -50.71 -26.27 5.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -64.17 -26.47 68.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.539 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 48.7 mt -118.24 139.76 50.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.612 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -90.46 156.75 17.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.632 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -72.97 122.27 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.456 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 1.4 ptp180 -60.68 -28.13 68.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 35.0 tp60 -69.46 -30.76 68.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.703 -177.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.0 -55.88 9.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.609 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . 0.487 HG21 HG11 ' A' ' 579' ' ' VAL . 17.9 pt -48.1 -37.65 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.725 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 29.4 m-85 -60.9 -45.75 93.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.997 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 82.8 tt0 -52.83 -36.61 58.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.045 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 97.5 m -60.31 -49.29 78.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.033 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.554 ' N ' HD23 ' A' ' 447' ' ' LEU . 2.3 mt -58.93 -51.57 69.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.645 HG22 HG21 ' A' ' 462' ' ' VAL . 2.5 t -70.93 -35.53 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.14 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -64.03 -45.86 87.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -71.6 -44.6 64.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.789 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -50.59 -48.92 41.64 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . 0.554 ' NH1' ' OG ' ' A' ' 477' ' ' SER . 22.2 ptt180 -77.67 -30.83 52.2 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.093 -178.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -78.13 -57.91 3.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.768 0.318 . . . . 0.0 110.775 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.36 -42.0 98.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.679 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.605 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.8 mt -89.82 -12.81 38.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.805 -178.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 58.32 54.78 5.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.4 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 75.2 m -94.1 158.37 15.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.627 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -80.84 -52.47 7.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.501 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.482 ' O ' ' O ' ' A' ' 553' ' ' HIS . 26.1 ttt180 -137.08 138.76 40.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.538 -178.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 15.2 m -145.49 130.98 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.436 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 16.4 tt -117.71 138.23 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.718 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.645 HG21 HG22 ' A' ' 448' ' ' VAL . 2.6 t -134.91 128.24 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.4 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.54 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 20.6 p90 -138.95 142.85 38.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.713 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -84.48 146.79 27.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.498 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . 0.466 ' CE2' HD21 ' A' ' 546' ' ' LEU . 1.8 m-85 -82.08 147.4 29.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.641 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -111.85 -170.74 1.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.502 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 53.2 p30 -81.44 -15.64 54.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.425 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . 0.687 ' O ' HG23 ' A' ' 470' ' ' VAL . 84.9 m-20 -102.77 28.39 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . 0.503 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 8.3 m-85 54.94 19.85 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.335 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 468' ' ' ASN . 59.2 t -108.49 128.23 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.627 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -79.56 176.11 54.8 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . 0.411 ' N ' ' HB2' ' A' ' 463' ' ' TYR . 53.8 m -148.2 109.05 4.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.598 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 19.0 t -68.35 86.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.645 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.55 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 33.8 m -82.62 -22.63 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.361 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.25 134.35 17.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.381 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 485' ' ' ALA . 55.4 tt0 -146.04 146.3 30.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.652 178.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . 0.554 ' OG ' ' NH1' ' A' ' 452' ' ' ARG . 8.5 t -134.66 119.44 18.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.589 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . 0.439 HG12 ' HG3' ' A' ' 459' ' ' ARG . 2.2 m -135.71 143.44 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.507 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.722 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -59.33 171.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.698 177.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -74.35 127.47 33.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.46 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.41 -13.04 25.77 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . 0.722 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 50.6 m95 -96.74 166.24 14.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 110.827 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -85.36 127.42 3.33 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.029 2.486 . . . . 0.0 111.902 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -94.69 148.12 22.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.657 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . 0.448 ' N ' ' OE1' ' A' ' 476' ' ' GLU . . . -114.63 -97.57 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.558 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 487' ' ' ASP . 0.0 OUTLIER 61.1 123.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.648 -178.333 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 10.5 t0 80.11 16.68 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.589 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -105.39 147.24 28.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 489' ' ' VAL . 33.9 m -102.66 128.44 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.417 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 8.9 mm -92.97 110.43 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.706 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . 0.408 ' HA ' HH12 ' A' ' 496' ' ' ARG . 95.8 mt-10 -107.95 93.43 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.29 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.736 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 0.2 OUTLIER -135.65 77.31 52.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 179.124 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . 0.563 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 53.6 Cg_endo -71.84 39.31 0.38 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.685 2.257 . . . . 0.0 112.197 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.756 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -98.9 -74.93 0.57 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . 0.756 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 35.0 p90 -77.49 -52.73 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.389 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.736 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 23.6 ptt180 -51.2 -13.16 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.598 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . 0.482 ' OE1' ' CD2' ' A' ' 498' ' ' HIS . 5.6 tm-20 -90.54 -58.24 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.538 -177.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . 0.482 ' CD2' ' OE1' ' A' ' 497' ' ' GLU . 4.9 m80 -96.56 -46.73 6.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.455 -177.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.516 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 7.4 m95 -63.93 -7.96 9.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -177.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 1.011 HG13 ' H ' ' A' ' 501' ' ' GLU . 5.9 p -46.58 -67.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.485 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 1.011 ' H ' HG13 ' A' ' 500' ' ' VAL . 22.3 pt-20 -47.53 -38.7 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.584 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -61.55 -43.6 98.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.5 m-85 -61.81 -41.11 97.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.667 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.578 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.4 mmt85 -50.1 -34.97 23.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.739 177.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -77.5 -10.15 59.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.701 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 91.08 35.65 7.01 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -78.52 154.56 30.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.773 0.32 . . . . 0.0 110.649 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.627 ' CD1' HD13 ' A' ' 566' ' ' ILE . 4.4 pt -137.4 156.94 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.461 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . 0.609 ' NE2' ' ND2' ' A' ' 535' ' ' ASN . 0.8 OUTLIER -130.36 119.41 22.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.638 177.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.822 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -115.81 113.8 23.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.378 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.723 HG21 ' HB3' ' A' ' 517' ' ' ALA . 0.3 OUTLIER -129.06 111.82 13.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.637 177.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 98.8 m -64.21 -57.32 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' A' ' 515' ' ' PHE . 40.0 t0 -107.98 98.98 8.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.562 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.602 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 44.9 pt -53.61 -10.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.415 -177.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . 0.446 ' H ' ' C ' ' A' ' 513' ' ' ASP . 17.6 m-85 -74.98 -10.8 59.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.469 -177.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -102.09 -15.83 16.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . 0.723 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -130.25 116.81 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.575 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . 0.695 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 108.06 44.17 1.22 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.01 30.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.704 0.287 . . . . 0.0 110.618 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.695 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.1 OUTLIER -77.37 -175.21 3.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.52 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.431 ' N ' ' OG1' ' A' ' 520' ' ' THR . 88.5 tt0 -103.86 -72.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.355 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 17.6 p -54.36 -37.18 64.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.179 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.456 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 53.1 t60 -56.61 -56.62 19.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.459 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.482 HD21 ' O ' ' A' ' 518' ' ' GLY . 24.0 mt -55.92 -44.99 78.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.481 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -71.07 -17.37 62.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.756 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . 0.42 HE21 ' HB3' ' A' ' 526' ' ' GLN . 4.4 tt0 -83.55 -31.45 26.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.646 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 527' ' ' LEU . 10.8 mp -93.25 -32.94 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.664 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.568 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 11.8 mtt85 -43.73 -58.95 3.93 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 11.9 Cg_endo -56.22 -26.31 60.38 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.804 2.336 . . . . 0.0 112.025 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 34.5 mt -90.24 -9.65 47.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.516 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 531' ' ' LYS . 1.1 ttmt 57.21 26.77 12.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.94 120.2 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.643 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . 0.526 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 74.9 mtt-85 -125.38 74.44 1.39 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.942 0.401 . . . . 0.0 110.622 178.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.602 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.44 -171.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.297 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.609 ' ND2' ' NE2' ' A' ' 509' ' ' GLN . 17.1 t-20 -174.32 100.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.077 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 561' ' ' TRP . 58.2 tp -133.68 113.27 12.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.17 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 537' ' ' VAL . 30.9 m -116.52 120.07 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.258 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.65 ' O ' HD12 ' A' ' 549' ' ' LEU . 2.2 t -115.87 111.48 43.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.955 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.76 131.86 30.72 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.792 2.328 . . . . 0.0 112.334 -175.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.652 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 78.0 mmm -116.72 111.93 20.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.154 176.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.01 120.55 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 0.0 110.979 -175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.0 mt -109.83 139.76 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.873 177.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 57.0 t0 44.22 33.47 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.076 0.465 . . . . 0.0 109.878 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 20.9 t0 71.6 25.73 3.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.443 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 542' ' ' ILE . 23.0 mt-30 -128.85 135.91 49.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.579 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . 0.578 ' CB ' HH21 ' A' ' 504' ' ' ARG . 14.0 tp -71.29 93.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.628 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.489 ' CE2' ' CD2' ' A' ' 580' ' ' LEU . 0.0 OUTLIER -84.47 -36.84 22.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.538 -176.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 540' ' ' MET . . . -159.45 -178.27 33.29 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -176.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 538' ' ' VAL . 18.3 tp -152.86 134.55 14.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.672 0.272 . . . . 0.0 110.391 -178.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 549' ' ' LEU . 24.8 tp -100.95 116.52 33.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.621 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.604 HG22 ' NE2' ' A' ' 553' ' ' HIS . 5.1 mt -120.48 130.68 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.531 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -112.46 143.75 43.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.604 ' NE2' HG22 ' A' ' 551' ' ' ILE . 33.4 m80 -140.37 136.68 33.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.701 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.624 ' NE2' ' NH1' ' A' ' 559' ' ' ARG . 23.1 mp0 -93.65 102.15 14.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.79 85.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.34 -177.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 557' ' ' GLU . 89.6 p -63.79 -73.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.275 -177.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.438 ' N ' ' OG ' ' A' ' 556' ' ' SER . 0.3 OUTLIER -149.65 161.92 30.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.476 -178.776 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -46.34 157.04 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.914 2.409 . . . . 0.0 112.002 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.649 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 22.7 ttt-85 -154.66 153.26 31.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.636 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -113.06 111.48 22.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.479 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.822 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.0 OUTLIER -81.55 116.04 21.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.75 178.184 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -67.32 161.21 25.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.353 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.28 -35.17 69.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.384 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . 0.522 HG22 HE21 ' A' ' 568' ' ' GLN . 96.9 mt -65.25 -37.8 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.471 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.11 -33.85 76.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.495 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.627 HD13 ' CD1' ' A' ' 508' ' ' ILE . 90.6 mt -67.88 -44.77 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.587 177.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -52.55 -48.36 66.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.514 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.522 HE21 HG22 ' A' ' 564' ' ' ILE . 43.1 mt-30 -60.24 -41.57 93.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.605 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 6.2 m-85 -57.43 -42.55 82.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.361 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 574' ' ' SER . 20.0 t -59.75 -50.71 72.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.358 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 575' ' ' THR . 96.0 mt-10 -65.87 -42.64 90.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.304 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . 0.594 ' O ' ' OG1' ' A' ' 575' ' ' THR . 7.9 tp -61.89 -51.3 68.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.542 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.652 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -68.95 -41.3 78.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.537 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 570' ' ' SER . 19.8 t -55.87 -43.13 76.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.621 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . 0.594 ' OG1' ' O ' ' A' ' 572' ' ' LEU . 7.9 p -54.61 -39.62 68.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.671 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -58.89 -47.15 92.04 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.67 -41.42 55.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.318 . . . . 0.0 110.745 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.9 mt -57.76 -40.35 79.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.487 HG11 HG21 ' A' ' 443' ' ' ILE . 42.1 t -61.64 -53.25 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.591 ' N ' HD12 ' A' ' 580' ' ' LEU . 9.9 mp -64.45 -35.08 79.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.2 -39.44 86.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -65.56 -51.19 61.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.625 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.96 -36.84 80.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -58.79 -51.23 70.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.72 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -135.81 133.96 38.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.737 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 17.2 tp -173.77 -28.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.58 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -55.6 -33.73 64.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -165.91 96.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 52.0 p -130.35 -45.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 4.9 pt -149.92 93.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.652 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -61.97 -46.01 91.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.628 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 19.7 m -54.46 -34.55 61.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 11.2 tp . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.543 179.689 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' VRB . . . . . 0.627 ' H27' ' OD2' ' A' ' 492' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . 0.586 ' O ' ' HB3' ' A' ' 430' ' ' ALA . 8.1 tpt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 429' ' ' MET . . . 74.29 26.49 1.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.613 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -84.34 113.52 21.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 432' ' ' VAL . 1.8 m -84.62 114.37 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.558 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -79.18 132.85 36.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.525 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 436' ' ' GLU . 38.7 tp -59.05 -35.44 73.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.575 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 35.5 m -54.65 -11.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.555 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 434' ' ' LEU . 48.8 tp10 -63.71 -35.88 82.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.542 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.652 ' N ' HD12 ' A' ' 437' ' ' LEU . 8.9 mp -76.87 160.78 28.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -52.26 -44.6 65.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 45.05 57.74 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.499 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.532 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 3.1 ptp180 -54.89 -27.68 44.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.625 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 3.7 tm0? -69.1 -31.63 70.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.693 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 445' ' ' GLU . . . -70.04 -57.21 5.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -177.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . 0.517 ' O ' ' OG1' ' A' ' 446' ' ' THR . 14.1 pt -43.42 -37.03 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.712 -178.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 42.3 m-85 -67.62 -39.19 84.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 178.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 442' ' ' ALA . 43.0 tp10 -54.53 -41.63 69.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.161 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 443' ' ' ILE . 17.2 p -58.51 -53.8 54.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.04 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.597 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.0 OUTLIER -55.41 -51.06 68.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.162 179.27 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 58.0 t -71.16 -35.66 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.11 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 445' ' ' GLU . . . -64.11 -48.0 77.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.763 0.316 . . . . 0.0 110.826 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -72.54 -37.97 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -55.31 -50.96 57.45 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . 0.494 ' NH1' ' OG ' ' A' ' 477' ' ' SER . 9.2 ptm180 -77.72 -30.41 51.72 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.059 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.65 -56.77 4.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.701 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.9 mt -66.14 -42.3 89.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.709 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.575 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.1 mt -88.88 -14.08 37.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.734 -177.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 60.57 55.71 3.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.382 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 12.8 t -94.42 157.52 15.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.661 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -83.07 -53.93 5.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.48 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.482 ' O ' ' O ' ' A' ' 553' ' ' HIS . 7.4 ttt180 -140.24 140.02 35.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.557 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 28.5 m -146.44 132.87 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.493 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 35.5 mt -113.3 137.43 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.559 HG22 ' CD1' ' A' ' 550' ' ' LEU . 2.3 t -134.82 128.44 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.449 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.51 ' CD2' HD12 ' A' ' 490' ' ' ILE . 25.6 p90 -142.41 142.44 32.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.691 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -82.61 145.98 29.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.455 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -82.04 146.6 29.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.642 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -111.48 -171.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.546 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -80.7 -15.74 55.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.457 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . 0.69 ' O ' HG23 ' A' ' 470' ' ' VAL . 88.5 m-20 -102.05 27.33 6.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.52 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . 0.483 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.1 m-85 55.09 19.06 2.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.386 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 468' ' ' ASN . 58.1 t -108.5 127.27 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.551 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.434 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -77.68 174.08 54.86 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -177.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 84.8 m -146.74 106.07 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.782 0.325 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.96 96.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.649 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 11.4 p -96.27 -18.89 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.387 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -149.62 130.26 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.408 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . 0.416 ' H ' ' HD3' ' A' ' 486' ' ' ARG . 48.9 tt0 -147.81 145.26 28.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.648 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . 0.494 ' OG ' ' NH1' ' A' ' 452' ' ' ARG . 45.5 t -134.5 121.34 20.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.615 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . 0.409 HG12 ' HG3' ' A' ' 459' ' ' ARG . 1.6 m -134.08 140.01 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.582 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.701 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -57.31 171.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.709 178.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -74.03 126.63 30.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.404 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.68 -9.73 25.81 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . 0.701 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 41.7 m95 -101.96 167.06 11.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.812 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -86.85 130.13 3.06 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.965 2.443 . . . . 0.0 111.966 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -95.73 149.5 21.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.693 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . 0.409 ' N ' ' OE1' ' A' ' 476' ' ' GLU . . . -113.44 -95.59 0.45 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.426 ' HG3' HH11 ' A' ' 486' ' ' ARG . 32.8 mmm-85 62.17 123.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.75 -178.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 487' ' ' ASP . 0.4 OUTLIER 75.0 18.83 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.199 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -105.02 148.01 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.565 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 489' ' ' VAL . 18.8 m -108.41 132.21 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.51 HD12 ' CD2' ' A' ' 463' ' ' TYR . 50.9 mt -102.13 122.08 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.663 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . 0.417 ' O ' ' OD1' ' A' ' 492' ' ' ASP . 95.0 mt-10 -112.64 96.97 6.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.303 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.745 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 5.3 m-20 -135.84 78.1 49.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.687 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . 0.472 ' O ' ' OE1' ' A' ' 497' ' ' GLU . 52.4 Cg_endo -70.41 36.26 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.753 2.302 . . . . 0.0 112.151 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.736 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -95.91 -79.9 0.43 Allowed 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.302 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . 0.736 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 34.6 p90 -75.24 -52.39 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 118.141 0.428 . . . . 0.0 110.307 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.745 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 23.7 ptt180 -51.82 -13.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.665 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . 0.519 ' OE1' ' NE2' ' A' ' 498' ' ' HIS . 68.3 tt0 -89.41 -58.47 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.478 -177.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . 0.519 ' NE2' ' OE1' ' A' ' 497' ' ' GLU . 2.2 m80 -96.95 -46.96 6.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.384 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.482 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 7.5 m95 -64.39 -4.84 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 -177.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 1.023 HG13 ' H ' ' A' ' 501' ' ' GLU . 6.4 p -49.12 -67.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.484 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 1.023 ' H ' HG13 ' A' ' 500' ' ' VAL . 24.4 mt-10 -47.46 -39.99 17.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.52 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -59.16 -43.56 92.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.495 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . 0.465 ' OH ' HG21 ' A' ' 537' ' ' VAL . 4.6 m-85 -62.35 -40.25 95.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.626 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.498 ' HE ' ' HB2' ' A' ' 546' ' ' LEU . 24.0 mmt85 -51.93 -31.95 30.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.77 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -79.7 -9.69 59.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.682 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 90.68 35.93 7.08 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -79.55 154.83 28.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.641 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.8 pt -136.78 156.33 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.457 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . 0.585 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 1.1 tm0? -133.64 119.72 19.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.696 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.763 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -114.78 114.35 25.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.357 -178.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.585 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.2 OUTLIER -129.63 108.67 10.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.649 177.468 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 54.5 m -62.78 -61.97 2.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.503 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.6 t0 -102.93 97.73 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.581 -178.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.592 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 46.6 pt -53.58 -10.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.378 -177.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . 0.444 ' H ' ' C ' ' A' ' 513' ' ' ASP . 16.6 m-85 -75.0 -10.56 59.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.434 -178.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.546 ' HE2' HG22 ' A' ' 511' ' ' THR . 22.5 pttt -101.5 -12.04 18.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.593 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . 0.485 ' CB ' HG21 ' A' ' 511' ' ' THR . . . -131.91 116.27 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . 0.708 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 102.99 44.25 1.79 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.35 33.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 110.649 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.708 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.2 OUTLIER -77.65 -174.12 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.598 ' H ' HG22 ' A' ' 520' ' ' THR . 5.1 pt-20 -105.5 -52.17 2.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.359 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 7.9 p -70.65 -41.37 72.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.2 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.591 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 51.2 t60 -55.93 -56.79 16.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.447 -178.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.488 HD21 ' O ' ' A' ' 518' ' ' GLY . 18.8 mt -54.23 -45.59 72.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.504 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 78.3 m-20 -73.02 -10.23 59.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 526' ' ' GLN . 4.3 tt0 -90.63 -32.27 16.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.574 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 527' ' ' LEU . 9.9 mp -93.98 -17.56 22.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.561 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 16.7 mtt85 -59.36 -59.46 13.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.661 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 11.7 Cg_endo -55.81 -29.31 71.46 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.827 2.351 . . . . 0.0 112.092 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 35.2 mt -85.74 -14.11 46.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.549 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.3 tptm 66.12 22.58 11.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.506 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 14.2 t -69.84 116.32 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.631 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 65.5 mtt-85 -124.01 73.57 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.511 178.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.592 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 170.82 -170.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.223 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -174.44 98.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 111.075 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 561' ' ' TRP . 49.6 tp -133.6 112.34 11.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.209 177.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 537' ' ' VAL . 31.8 m -115.3 120.51 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.21 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.621 ' O ' HD12 ' A' ' 549' ' ' LEU . 32.9 t -117.01 111.5 40.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.023 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.71 132.68 33.65 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.844 2.363 . . . . 0.0 112.351 -174.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.455 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 39.2 mmm -115.37 113.64 24.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.211 175.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 13.1 t -121.09 123.58 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.7 mt -109.25 138.37 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.913 177.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 53.5 t0 43.1 31.96 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 109.846 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 75.93 25.62 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.431 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 542' ' ' ILE . 24.6 mt-30 -129.72 134.51 47.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . 0.498 ' HB2' ' HE ' ' A' ' 504' ' ' ARG . 11.8 tp -72.11 95.04 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.612 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -90.13 -33.09 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -177.277 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . 0.612 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -156.22 -178.77 30.7 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 538' ' ' VAL . 14.5 tp -155.07 136.93 14.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.666 0.27 . . . . 0.0 110.422 -178.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.588 ' H ' HD12 ' A' ' 549' ' ' LEU . 28.4 tp -105.27 119.74 39.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.658 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.563 HG22 ' NE2' ' A' ' 553' ' ' HIS . 3.5 mt -124.63 130.41 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -106.93 145.26 32.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.648 ' CE1' ' H32' ' A' ' 600' ' ' VRB . 30.0 m80 -142.51 139.27 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.646 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -89.15 118.03 28.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.768 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -83.87 -9.34 58.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.256 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 10.4 p -100.58 -72.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.294 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -145.34 159.1 49.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -46.67 159.65 0.29 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.913 2.409 . . . . 0.0 112.035 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.588 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 41.0 ttt85 -154.17 150.71 28.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.644 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -108.97 107.51 17.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.438 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.763 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.4 OUTLIER -83.72 120.8 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.74 179.368 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -70.96 158.27 36.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.3 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -57.52 -32.51 67.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.481 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . 0.56 HG22 HE21 ' A' ' 568' ' ' GLN . 19.9 mm -67.23 -38.09 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.477 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.15 -31.75 72.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.478 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 23.4 mt -73.7 -42.12 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.603 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -52.5 -48.17 66.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.56 HE21 HG22 ' A' ' 564' ' ' ILE . 40.7 mt-30 -60.27 -41.05 92.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.575 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.1 m-85 -57.27 -41.13 79.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.411 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . 0.472 ' O ' ' OG ' ' A' ' 574' ' ' SER . 11.3 t -59.16 -52.05 67.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.398 -178.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.69 -43.08 97.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.299 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 17.7 tp -62.0 -55.01 33.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.529 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.0 93.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.538 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 570' ' ' SER . 68.3 m -57.22 -32.99 67.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.0 m -53.13 -48.44 67.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.748 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.07 -44.67 88.31 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.58 -39.26 49.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.752 0.31 . . . . 0.0 110.692 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.33 -42.08 86.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.667 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 98.6 t -61.65 -51.44 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.61 ' N ' HD12 ' A' ' 580' ' ' LEU . 10.1 mp -66.63 -32.93 74.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -57.9 -40.66 80.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.526 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 585' ' ' PHE . 77.2 mtm180 -66.23 -43.56 86.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.527 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 25.4 tp -67.44 -44.49 78.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.643 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -68.69 -48.87 62.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.657 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.415 ' O ' ' O ' ' A' ' 582' ' ' ARG . 95.8 m-85 -128.25 160.27 32.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.659 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 23.2 mt 52.75 62.89 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.59 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 587' ' ' GLU . 43.7 mp0 -62.9 -30.51 71.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.59 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -79.94 115.03 19.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.631 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 591' ' ' ALA . 1.7 m -130.35 24.81 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.568 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 12.6 pt -68.43 62.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 589' ' ' THR . . . -75.79 -8.58 57.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.58 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 23.2 t -54.91 -34.96 63.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.538 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.561 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' VRB . . . . . 0.648 ' H32' ' CE1' ' A' ' 553' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -158.21 133.6 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -68.61 -35.54 77.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.57 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 432' ' ' VAL . 8.9 p -74.58 115.67 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.539 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -133.56 159.81 39.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.605 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 47.6 mt -60.41 -32.61 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.556 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 83.3 p -58.42 -37.57 75.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -102.47 26.56 7.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.551 ' C ' HD23 ' A' ' 437' ' ' LEU . 3.0 tt -139.68 103.8 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.66 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.417 ' N ' HD23 ' A' ' 437' ' ' LEU . 66.4 ttt-85 -175.22 -79.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.618 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -94.94 167.23 11.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.424 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.515 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 0.7 OUTLIER -57.88 -28.29 64.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.616 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . 0.552 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 5.4 tm0? -68.79 -30.99 69.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.625 -177.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.68 -58.09 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.592 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . 0.472 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 9.0 pt -44.27 -39.28 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.753 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 36.0 m-85 -62.65 -44.45 96.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 46.3 tp10 -52.67 -38.37 60.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.109 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 89.1 m -60.51 -46.8 88.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 447' ' ' LEU . 2.8 mt -60.33 -52.26 66.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.211 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.622 HG22 HG21 ' A' ' 462' ' ' VAL . 2.5 t -70.54 -37.1 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.151 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -64.59 -46.18 83.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.817 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -72.07 -43.24 65.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.814 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -52.95 -49.4 55.24 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 43.9 ptt85 -78.16 -30.52 49.24 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.029 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -77.08 -57.54 3.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.327 . . . . 0.0 110.7 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.49 -43.54 85.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.701 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.3 mt -85.6 -13.72 47.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.71 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 59.62 55.06 4.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.385 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 11.6 t -94.65 153.7 17.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.705 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -78.16 -54.42 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.449 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.527 ' HE ' ' CG1' ' A' ' 478' ' ' VAL . 12.6 ttm180 -134.81 139.88 45.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.576 -178.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 11.5 m -146.47 130.06 9.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.488 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 28.9 mt -115.84 138.27 46.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.836 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.622 HG21 HG22 ' A' ' 448' ' ' VAL . 2.4 t -135.56 125.41 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.499 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 22.0 p90 -138.43 140.27 39.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.659 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -81.28 147.11 30.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.444 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . 0.532 ' CE2' HD21 ' A' ' 546' ' ' LEU . 1.9 m-85 -82.71 145.83 29.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.595 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 41.5 t0 -110.43 -172.56 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.467 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . 0.516 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 86.8 m-20 -80.39 -16.13 55.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.455 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 470' ' ' VAL . 93.1 m-20 -101.93 30.68 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.448 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . 0.467 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 7.6 m-85 53.25 17.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.38 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 468' ' ' ASN . 43.8 t -108.79 129.04 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.619 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -81.5 176.14 54.31 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 88.1 m -149.96 108.7 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 488' ' ' GLN . 24.9 t -67.95 92.98 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.72 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.527 ' O ' ' NE ' ' A' ' 486' ' ' ARG . 13.6 p -89.28 -19.87 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.394 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -151.91 134.86 15.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.39 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -152.45 150.71 29.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.677 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 49.5 m -140.77 129.85 23.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.591 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . 0.527 ' CG1' ' HE ' ' A' ' 459' ' ' ARG . 2.1 t -136.35 144.58 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.573 -178.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.748 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -53.95 170.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -77.67 131.28 37.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.412 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 111.38 -16.23 27.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . 0.748 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 50.1 m95 -97.07 169.2 9.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.477 ' O ' ' NH2' ' A' ' 459' ' ' ARG . 8.5 Cg_endo -87.12 126.5 2.39 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.026 2.484 . . . . 0.0 111.907 178.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -89.92 147.99 23.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.711 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . 0.537 ' HB1' ' CD ' ' A' ' 488' ' ' GLN . . . -111.23 -96.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.614 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.527 ' NE ' ' O ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER 61.13 129.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.644 -178.337 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 12.1 t0 76.98 19.37 1.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.564 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.537 ' CD ' ' HB1' ' A' ' 485' ' ' ALA . 27.3 mt-30 -102.91 146.1 28.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.484 178.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.405 ' CG1' ' CG1' ' A' ' 470' ' ' VAL . 21.5 t -98.39 128.33 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.654 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 11.5 mm -97.52 112.02 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.662 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . 0.45 ' O ' ' OD1' ' A' ' 492' ' ' ASP . 78.5 mt-10 -114.04 94.34 4.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.339 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.726 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 4.5 m-20 -137.14 79.26 38.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.714 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . 0.464 ' O ' ' OE1' ' A' ' 497' ' ' GLU . 55.4 Cg_endo -71.31 38.59 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.739 2.293 . . . . 0.0 112.178 -177.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.719 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -97.85 -77.65 0.5 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 118.98 -0.533 . . . . 0.0 109.731 179.062 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . 0.719 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 33.8 p90 -75.07 -53.16 9.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 110.394 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.726 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 24.3 ptt180 -51.5 -12.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.682 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . 0.464 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 73.4 tt0 -89.7 -58.11 2.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.495 -177.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -97.38 -46.54 6.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.52 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.531 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 6.9 m95 -63.5 -8.37 9.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.493 -177.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 1.02 HG13 ' H ' ' A' ' 501' ' ' GLU . 5.9 p -47.02 -67.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.487 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 1.02 ' H ' HG13 ' A' ' 500' ' ' VAL . 23.0 pt-20 -47.26 -38.85 13.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -60.95 -44.11 97.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.7 m-85 -61.33 -41.43 97.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.601 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.621 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.8 mmt85 -48.8 -35.95 15.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.714 177.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -76.59 -10.65 59.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.681 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 91.25 35.78 6.89 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -77.36 155.05 32.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 0.0 110.598 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.6 pt -136.75 155.28 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.446 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . 0.554 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 0.8 OUTLIER -132.36 119.12 20.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 177.521 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.785 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -115.98 115.68 26.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.412 -178.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.7 HG21 ' HB3' ' A' ' 517' ' ' ALA . 0.3 OUTLIER -129.04 111.66 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.714 177.389 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 79.1 m -64.37 -57.81 8.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.479 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 515' ' ' PHE . 40.5 t0 -108.59 99.59 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.536 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 27.1 pt -53.63 -10.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.293 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . 0.452 ' H ' ' C ' ' A' ' 513' ' ' ASP . 13.5 m-85 -74.01 -10.98 60.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.5 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -102.38 -15.67 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.566 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . 0.7 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -130.9 116.42 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.599 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . 0.687 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 106.93 44.84 1.25 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.59 31.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.652 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.687 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.1 OUTLIER -76.82 -176.97 4.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.479 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 522' ' ' CYS . 15.9 pt-20 -106.08 -54.0 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.381 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 14.8 p -69.68 -40.98 76.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.224 -177.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.537 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 33.5 t60 -57.29 -55.44 34.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.386 -178.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.537 HD21 ' O ' ' A' ' 518' ' ' GLY . 32.7 mt -54.54 -46.28 73.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.522 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 77.1 m-20 -71.6 -17.03 62.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.696 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . 0.443 HE21 ' HB3' ' A' ' 526' ' ' GLN . 4.2 tt0 -83.27 -29.07 28.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.64 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 527' ' ' LEU . 8.8 mp -96.14 -26.54 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.644 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.556 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 14.3 mtt85 -47.55 -59.45 5.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 16.1 Cg_endo -58.33 -29.53 88.32 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.854 2.369 . . . . 0.0 112.045 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 50.8 mt -82.57 -15.41 52.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.554 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.491 ' CE ' HH12 ' A' ' 533' ' ' ARG . 9.1 tptt 68.23 20.44 8.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.511 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.94 116.65 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.515 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 68.1 mtt85 -125.37 74.34 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 177.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.599 ' HB1' ' CH2' ' A' ' 561' ' ' TRP . . . 172.29 -171.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.244 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -175.14 99.94 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.022 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . 0.49 HD13 ' CD1' ' A' ' 561' ' ' TRP . 48.5 tp -133.33 114.12 13.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.137 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 537' ' ' VAL . 30.2 m -117.08 119.45 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 111.229 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.637 ' O ' HD12 ' A' ' 549' ' ' LEU . 98.7 t -115.1 111.98 44.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.01 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.2 132.86 33.11 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.824 2.349 . . . . 0.0 112.342 -174.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.466 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 40.9 mmm -119.0 111.79 18.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.205 175.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.2 t -120.04 123.82 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.952 -176.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.1 mt -112.89 139.74 36.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.918 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 58.9 t0 45.08 35.68 1.72 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.014 0.435 . . . . 0.0 109.834 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 1.1 m-20 68.71 25.77 6.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.381 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 542' ' ' ILE . 23.5 mt-30 -129.79 137.75 50.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.617 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . 0.621 ' CB ' HH21 ' A' ' 504' ' ' ARG . 12.8 tp -72.02 92.96 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -83.55 -38.78 21.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 -176.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . 0.55 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -159.44 179.66 34.87 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -177.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 538' ' ' VAL . 14.4 tp -151.28 136.6 17.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.712 0.291 . . . . 0.0 110.371 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.581 ' CD1' HG22 ' A' ' 462' ' ' VAL . 24.2 tp -103.23 118.22 36.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.641 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.561 HG22 ' NE2' ' A' ' 553' ' ' HIS . 4.5 mt -122.65 131.97 72.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.621 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.68 146.78 35.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.561 ' NE2' HG22 ' A' ' 551' ' ' ILE . 30.6 m80 -143.24 142.18 31.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -89.64 121.99 32.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.748 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -87.39 -12.56 45.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.334 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 78.7 p -99.07 -72.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.351 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.79 160.66 46.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.512 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -48.26 159.01 0.81 Allowed 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.883 2.388 . . . . 0.0 112.027 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.616 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 43.7 ttt85 -154.56 150.62 27.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.655 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -110.71 108.59 18.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.458 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.785 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.3 OUTLIER -82.95 118.19 23.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.737 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -69.09 159.38 33.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.342 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -56.8 -32.95 66.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.883 0.373 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . 0.501 HG22 HE21 ' A' ' 568' ' ' GLN . 14.6 mm -67.19 -38.09 80.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.425 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.28 -31.46 72.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.551 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 24.8 mt -73.05 -42.04 59.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.538 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -52.78 -48.55 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.501 HE21 HG22 ' A' ' 564' ' ' ILE . 42.9 mt-30 -59.94 -40.38 88.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.521 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.1 m-85 -58.37 -40.83 83.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 66.8 m -60.07 -51.17 70.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.352 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.21 -43.23 98.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.349 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.45 -53.31 58.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.528 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.402 ' O ' ' CE ' ' A' ' 540' ' ' MET . . . -62.69 -41.35 99.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.5 p -56.12 -34.25 65.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 27.7 m -55.62 -43.91 76.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.74 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.5 -45.61 89.33 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 3.8 m -52.22 -40.02 61.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.696 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.37 -48.58 80.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.416 HG22 ' H ' ' A' ' 579' ' ' VAL . 12.2 m -76.4 -31.06 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.641 -177.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.547 HD13 ' CE2' ' A' ' 547' ' ' PHE . 47.6 mt -64.08 -37.89 89.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.626 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -66.91 -50.01 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.58 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -67.74 -34.64 77.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 36.9 tp -71.99 -26.08 62.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.645 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -53.68 -20.83 5.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.623 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -94.73 134.83 36.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.674 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 28.8 mt -79.09 125.67 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.477 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 588' ' ' GLN . 97.8 mt-10 -71.09 -16.95 62.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.46 ' O ' ' O ' ' A' ' 587' ' ' GLU . 90.8 mt-30 58.4 144.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.576 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 43.5 m -57.12 -40.3 76.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.511 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 13.6 pt -91.89 62.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.473 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.25 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.526 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 32.0 m -61.11 -35.54 77.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.533 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 62.0 mt . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.554 -179.767 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' VRB . . . . . 0.625 ' H28' ' OD2' ' A' ' 492' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -129.07 9.44 5.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.631 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 54.31 -94.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 33.6 m -75.12 146.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -58.38 146.96 32.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.612 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 434' ' ' LEU . 8.7 mp -66.26 -22.8 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.584 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 60.2 p -53.11 -7.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.546 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 434' ' ' LEU . 66.6 mm-40 -64.67 -16.71 63.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.602 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 37.8 mt -87.96 145.41 26.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.601 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -102.76 -165.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.562 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 62.14 124.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.467 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 0.8 OUTLIER -62.78 -29.09 70.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 50.7 tp60 -68.19 -30.96 70.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.649 -177.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -70.27 -57.86 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 17.6 pt -44.52 -38.39 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.803 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . 0.436 ' HB3' ' CB ' ' A' ' 475' ' ' ALA . 27.1 m-85 -59.17 -44.92 92.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.035 178.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 97.4 mt-10 -55.89 -36.34 67.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 88.3 m -56.36 -33.51 65.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.061 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.527 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.0 OUTLIER -83.21 -50.93 7.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.245 178.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.04 -39.63 83.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.115 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -62.36 -47.83 82.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.868 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -69.29 -40.98 77.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.82 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -55.12 -52.45 46.98 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 38.0 ptt85 -76.69 -28.61 55.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.711 0.291 . . . . 0.0 111.088 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -79.03 -55.61 5.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.702 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 66.2 mt -66.22 -43.9 85.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.714 -177.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.599 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 13.2 mt -86.37 -14.78 42.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.703 -178.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 59.57 53.8 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 72.4 m -94.17 157.2 16.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.744 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -78.05 -51.68 9.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.504 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 553' ' ' HIS . 45.8 ttt180 -142.54 142.49 32.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.564 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 35.0 m -146.11 135.31 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.414 HD12 ' CE1' ' A' ' 553' ' ' HIS . 17.0 mt -112.57 144.46 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.747 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 3.5 t -143.65 128.44 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.417 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 21.6 p90 -139.37 164.53 29.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.688 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -104.68 141.86 35.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.492 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . 0.576 ' CE2' HD21 ' A' ' 546' ' ' LEU . 1.4 m-85 -80.45 143.84 33.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.672 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -111.28 -170.89 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.495 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -80.79 -16.0 54.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.447 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . 0.574 ' O ' HG23 ' A' ' 470' ' ' VAL . 84.7 m-20 -101.35 26.75 6.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.521 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . 0.491 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.5 m-85 55.76 20.84 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.39 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 468' ' ' ASN . 94.6 t -108.89 130.37 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.622 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -80.85 174.75 54.88 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . 0.422 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 93.5 m -147.12 105.22 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.572 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 488' ' ' GLN . 34.7 t -65.65 82.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.653 -177.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.423 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 14.6 p -81.87 -21.59 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.348 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' A' ' 444' ' ' PHE . . . -150.16 135.41 17.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.364 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . 0.423 ' H ' ' HD3' ' A' ' 486' ' ' ARG . 49.6 tt0 -158.37 154.14 26.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.679 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 42.8 t -139.53 128.58 23.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.3 m -134.37 140.08 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.534 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.728 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -58.44 171.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . 0.68 ' CD ' ' H ' ' A' ' 480' ' ' GLU . 1.3 pm0 -74.05 125.64 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.459 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 113.49 -10.49 23.93 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . 0.728 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 35.9 m95 -102.46 167.36 10.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 0.0 110.844 178.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -86.06 128.96 3.3 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 123.008 2.472 . . . . 0.0 111.907 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -91.01 148.33 22.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.685 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -112.12 -97.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.543 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 487' ' ' ASP . 34.5 mmm-85 60.03 122.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.707 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 10.9 t0 77.53 15.87 1.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.52 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.412 ' O ' HG23 ' A' ' 473' ' ' VAL . 88.8 mt-30 -103.69 147.07 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 178.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 32.9 m -108.51 133.33 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.575 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.431 HD12 ' CD2' ' A' ' 463' ' ' TYR . 58.6 mt -101.58 119.65 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.669 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . 0.421 ' HA ' HH12 ' A' ' 496' ' ' ARG . 97.6 mt-10 -110.57 94.21 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.319 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.718 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 3.8 m-20 -132.71 78.35 66.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.746 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . 0.489 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 55.7 Cg_endo -71.32 35.19 0.28 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.806 2.338 . . . . 0.0 112.193 -177.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.728 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -95.54 -78.5 0.45 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.511 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . 0.728 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 36.5 p90 -75.72 -53.1 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.318 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.718 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 25.1 ptt180 -51.44 -14.1 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.607 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . 0.459 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 66.6 tt0 -89.83 -58.93 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.494 -177.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . 0.436 ' NE2' ' OE1' ' A' ' 497' ' ' GLU . 2.1 m80 -95.14 -46.59 6.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.439 -177.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.448 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 6.2 m95 -65.21 -3.76 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.46 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 1.018 HG13 ' H ' ' A' ' 501' ' ' GLU . 6.2 p -48.76 -67.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.507 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 1.018 ' H ' HG13 ' A' ' 500' ' ' VAL . 23.1 pt-20 -47.06 -39.08 12.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.557 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -63.71 -42.43 97.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -62.15 -40.72 96.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.632 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' A' ' 504' ' ' ARG . 12.0 mmt-85 -50.94 -34.12 27.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.671 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -77.55 -9.88 59.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.727 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 88.32 34.32 9.67 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 539' ' ' PRO . 22.1 mmt85 -71.58 155.49 40.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.614 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.66 HD11 HD11 ' A' ' 536' ' ' LEU . 7.3 tt -138.34 150.4 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.443 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . 0.622 HE22 ' CG ' ' A' ' 535' ' ' ASN . 0.7 OUTLIER -128.57 123.77 34.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.682 177.414 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.789 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -115.75 111.81 21.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.416 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 517' ' ' ALA . 1.5 m -131.61 111.55 11.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.685 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . 0.446 ' H ' HG23 ' A' ' 512' ' ' THR . 3.1 p -66.1 -55.05 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.482 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.419 ' N ' ' OG1' ' A' ' 512' ' ' THR . 41.7 t0 -104.43 97.62 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.621 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.623 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 46.7 pt -55.24 -10.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.391 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 513' ' ' ASP . 18.3 m-85 -76.43 -12.57 60.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.516 -178.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.46 ' HE3' HG23 ' A' ' 511' ' ' THR . 1.3 pttp -101.31 -11.12 19.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.549 178.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . 0.53 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -129.71 114.71 16.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . 0.708 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 99.5 45.29 2.17 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 23.9 mt -58.75 34.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.759 0.314 . . . . 0.0 110.647 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.708 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.2 OUTLIER -76.24 -173.62 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.421 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.616 ' H ' HG22 ' A' ' 520' ' ' THR . 18.4 pt-20 -107.95 -49.46 3.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.327 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . 0.629 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 8.1 p -71.04 -44.25 66.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.198 -177.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.629 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 74.7 t60 -56.86 -55.41 34.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.466 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.473 HD21 ' O ' ' A' ' 518' ' ' GLY . 17.2 mt -53.63 -46.73 70.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.526 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 82.8 m-20 -72.23 -11.84 60.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.713 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . 0.433 HE21 ' HB3' ' A' ' 526' ' ' GLN . 4.1 tt0 -89.39 -31.24 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.627 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 527' ' ' LEU . 10.1 mp -93.98 -30.1 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.618 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.562 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 18.5 mtp180 -47.13 -59.23 5.67 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 12.8 Cg_endo -56.45 -28.64 74.31 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.876 2.384 . . . . 0.0 112.061 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 36.8 mt -85.62 -14.8 44.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 4.2 tptm 67.98 20.64 9.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 29.6 t -68.36 114.23 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.584 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . 0.527 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 86.3 mtt-85 -122.57 73.89 1.15 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.623 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.32 -171.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.225 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.622 ' CG ' HE22 ' A' ' 509' ' ' GLN . 10.4 t-20 -174.4 99.46 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 111.083 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . 0.66 HD11 HD11 ' A' ' 508' ' ' ILE . 53.1 tp -134.78 114.72 12.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.177 177.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 537' ' ' VAL . 27.2 m -118.85 120.73 64.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.165 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 60.1 t -119.27 99.81 50.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.99 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . 0.492 ' CG ' ' O ' ' A' ' 507' ' ' ARG . 31.8 Cg_exo -54.33 133.45 56.1 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.805 2.337 . . . . 0.0 112.367 -175.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.472 ' CE ' ' O ' ' A' ' 573' ' ' ALA . 44.4 mmm -114.96 113.95 24.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.227 175.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.7 t -120.01 127.81 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 545' ' ' GLN . 90.2 mt -114.24 136.77 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.954 178.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 58.1 t0 43.03 31.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.07 0.462 . . . . 0.0 109.844 -176.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 0.4 OUTLIER 75.99 25.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.415 179.439 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.568 ' N ' ' O ' ' A' ' 542' ' ' ILE . 24.9 mt-30 -127.59 128.97 46.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.634 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . 0.576 HD21 ' CE2' ' A' ' 465' ' ' PHE . 16.0 tp -66.66 92.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.54 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -84.85 -37.71 20.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.517 -176.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . 0.54 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -158.84 -179.46 33.71 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -176.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 31.1 tp -146.95 138.21 24.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.707 0.289 . . . . 0.0 110.355 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 20.7 tp -104.69 108.72 20.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.646 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.462 ' CG2' HG12 ' A' ' 537' ' ' VAL . 0.5 OUTLIER -116.89 131.22 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.635 -178.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . 0.487 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -121.65 147.05 46.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.556 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.487 ' CG ' ' C ' ' A' ' 552' ' ' ALA . 0.9 OUTLIER -152.19 151.88 31.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.671 179.157 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.675 ' NE2' HH11 ' A' ' 559' ' ' ARG . 22.8 mp0 -90.85 117.68 29.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.685 177.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -77.53 -8.45 57.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.303 -178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 55.2 p -99.18 -71.91 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.336 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -142.09 159.23 59.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.483 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -48.0 163.37 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.922 2.415 . . . . 0.0 112.081 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.675 HH11 ' NE2' ' A' ' 554' ' ' GLN . 21.8 ttt-85 -159.78 152.96 22.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.69 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -111.48 109.2 19.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.445 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.789 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.0 OUTLIER -78.79 116.04 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.684 177.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -68.39 162.44 25.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.364 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -58.16 -34.99 70.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.438 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . 0.429 HG22 ' NE2' ' A' ' 568' ' ' GLN . 93.1 mt -63.32 -39.6 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.427 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.588 ' OE1' ' N ' ' A' ' 565' ' ' GLU . 2.7 mp0 -62.76 -32.74 73.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.573 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 82.7 mt -66.44 -47.49 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -52.37 -48.39 65.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.599 ' OE1' ' N ' ' A' ' 568' ' ' GLN . 0.5 OUTLIER -61.11 -40.65 94.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 179.187 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 5.9 m-85 -58.57 -43.42 89.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.329 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 58.8 m -59.21 -50.98 71.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.358 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -64.75 -41.87 95.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.325 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.44 -55.46 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.549 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.472 ' O ' ' CE ' ' A' ' 540' ' ' MET . . . -61.6 -44.07 97.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.541 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 80.7 p -55.59 -32.18 62.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.599 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 15.7 m -56.17 -43.47 78.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.72 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.93 -46.26 91.11 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 1.5 t -49.6 -44.81 47.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.67 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.6 mt -59.24 -41.87 89.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 98.7 t -63.07 -53.94 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.647 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.6 -39.0 92.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.609 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -58.19 -51.49 69.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 585' ' ' PHE . 71.1 ttp85 -67.47 -43.63 80.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.563 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 5.8 tt -53.06 -37.38 61.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.666 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -56.23 -42.61 77.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.664 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 582' ' ' ARG . 88.6 m-85 -103.66 131.78 50.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.613 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 8.1 tp -172.73 -58.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -55.69 -34.36 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 593' ' ' LEU . 59.6 tp60 54.92 61.41 2.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 1.5 m -89.33 23.28 2.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 26.6 pt -148.52 141.6 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -75.85 -8.52 57.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.596 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 19.3 m -42.48 -32.53 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.609 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . 0.543 ' C ' HD23 ' A' ' 593' ' ' LEU . 2.6 tt . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.573 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' VRB . . . . . 0.588 ' H28' ' OD2' ' A' ' 492' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 44.5 ttp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -157.19 152.44 26.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.572 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -155.75 140.87 17.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.506 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 24.7 t -89.94 115.77 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -62.64 150.06 41.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.594 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.491 ' C ' ' N ' ' A' ' 436' ' ' GLU . 5.4 tp -60.31 -22.13 62.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.504 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 90.9 p -47.95 -12.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.573 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . 0.491 ' N ' ' C ' ' A' ' 434' ' ' LEU . 85.0 tt0 -64.14 -30.73 71.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.629 ' N ' HD12 ' A' ' 437' ' ' LEU . 9.6 mp -93.15 155.56 17.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.587 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -151.46 -22.22 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -74.85 132.41 41.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.519 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.481 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 4.3 ptp180 -68.14 -26.74 65.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.659 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 61.1 tp60 -69.48 -31.5 69.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.635 -177.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 445' ' ' GLU . . . -70.4 -57.16 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -177.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 12.5 pt -43.33 -39.06 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.742 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 35.6 m-85 -62.19 -41.01 97.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 442' ' ' ALA . 49.6 tp10 -57.58 -36.37 71.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 94.9 m -60.73 -35.73 77.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.065 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.531 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.2 mt -80.28 -48.83 12.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.504 ' CG1' ' OG ' ' A' ' 477' ' ' SER . 47.5 t -67.78 -39.4 81.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.125 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -61.21 -47.22 87.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.763 0.316 . . . . 0.0 110.863 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -69.41 -39.7 77.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.853 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -55.79 -52.42 48.66 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.439 -0.664 . . . . 0.0 111.439 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . 0.471 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 9.2 ptm180 -76.68 -29.98 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.065 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -77.49 -55.12 5.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.88 0.371 . . . . 0.0 110.751 -178.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 58.5 mt -67.54 -42.76 82.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.672 -177.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.612 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.7 mt -87.75 -15.26 37.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.682 -178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 59.65 55.12 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 72.7 m -94.03 154.88 17.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.606 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -77.95 -50.71 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.45 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 553' ' ' HIS . 19.4 ttt180 -140.65 138.86 34.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.553 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 460' ' ' VAL . 33.2 m -144.19 128.7 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.461 177.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 16.3 tt -113.91 139.01 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.766 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 550' ' ' LEU . 2.7 t -136.02 129.6 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.404 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.656 ' CD2' HD12 ' A' ' 490' ' ' ILE . 24.8 p90 -141.14 142.82 34.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.707 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -83.05 145.93 29.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.388 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.4 m-85 -82.82 146.29 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.697 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -111.32 -172.55 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.464 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -80.13 -13.57 59.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.443 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . 0.422 ' O ' HG23 ' A' ' 470' ' ' VAL . 88.2 m-20 -102.02 27.62 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.497 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . 0.599 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 7.0 m-85 54.85 18.04 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.333 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 468' ' ' ASN . 44.3 t -108.79 133.07 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.71 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.43 ' O ' HG13 ' A' ' 489' ' ' VAL . . . -83.02 173.42 52.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -177.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . 0.403 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 89.4 m -148.1 111.83 5.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.778 0.323 . . . . 0.0 110.68 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 488' ' ' GLN . 47.7 t -71.91 93.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.649 -177.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.522 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 13.7 m -97.0 -20.1 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.339 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . 0.455 ' HB2' ' NE2' ' A' ' 441' ' ' GLN . . . -148.5 131.57 16.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.384 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' ' 486' ' ' ARG . 60.3 tt0 -157.74 153.15 26.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.675 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . 0.504 ' OG ' ' CG1' ' A' ' 448' ' ' VAL . 82.5 p -137.52 126.26 23.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.579 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.84 143.01 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.602 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -60.88 172.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.71 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -73.59 127.49 32.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.425 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.65 -9.61 25.89 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . 0.602 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 40.1 m95 -103.38 168.41 8.76 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.981 0.419 . . . . 0.0 110.798 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -84.96 129.34 3.93 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.972 2.448 . . . . 0.0 111.917 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -96.76 148.32 23.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.706 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . 0.437 ' HB3' HG11 ' A' ' 473' ' ' VAL . . . -115.85 -94.32 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 -179.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.447 HH21 ' CD ' ' A' ' 441' ' ' GLN . 34.1 mmm-85 65.18 16.77 10.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.68 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -176.36 20.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.502 ' O ' HG23 ' A' ' 473' ' ' VAL . 90.0 mt-30 -103.29 142.68 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.562 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 471' ' ' GLY . 14.1 t -102.33 133.73 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.621 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.656 HD12 ' CD2' ' A' ' 463' ' ' TYR . 17.0 mt -102.04 118.65 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.743 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -118.71 88.14 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.255 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.748 ' C ' ' HE ' ' A' ' 496' ' ' ARG . 7.3 m-20 -129.13 83.54 65.56 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.58 39.61 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.695 2.263 . . . . 0.0 112.223 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.756 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -97.9 -71.4 0.69 Allowed 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.198 179.307 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . 0.756 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 30.8 p90 -79.58 -52.54 7.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 118.864 0.756 . . . . 0.0 110.281 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.748 ' HE ' ' C ' ' A' ' 492' ' ' ASP . 7.5 ptt180 -52.48 -13.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.657 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . 0.422 ' OE1' ' CD2' ' A' ' 498' ' ' HIS . 5.1 tm-20 -91.18 -58.69 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.573 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 494' ' ' CYS . 1.7 m80 -91.46 -38.33 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.45 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.515 ' N ' ' O ' ' A' ' 495' ' ' PHE . 8.9 m95 -82.65 21.84 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.494 -178.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 1.072 HG13 ' H ' ' A' ' 501' ' ' GLU . 3.6 p -69.16 -70.45 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.52 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 1.072 ' H ' HG13 ' A' ' 500' ' ' VAL . 21.8 pt-20 -48.85 -38.63 22.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.508 178.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -56.91 -44.26 82.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . 0.459 ' OH ' HG21 ' A' ' 537' ' ' VAL . 4.1 m-85 -63.14 -40.84 98.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.592 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.599 ' NE ' ' O ' ' A' ' 544' ' ' ASP . 4.0 tpt180 -47.71 -33.6 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.715 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -80.37 -7.75 59.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.663 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 88.09 33.56 10.69 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . 0.534 ' O ' ' CG ' ' A' ' 539' ' ' PRO . 32.7 mmt180 -72.63 155.31 40.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 0.0 110.603 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 5.4 tt -137.11 152.04 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.425 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . 0.645 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 0.6 OUTLIER -131.36 121.39 24.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.689 177.257 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.812 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -113.99 113.9 25.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.367 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.645 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.2 OUTLIER -130.22 109.2 10.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.614 177.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . 0.519 ' OG1' ' NE2' ' A' ' 560' ' ' GLN . 60.0 m -62.96 -61.52 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.548 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.3 t0 -104.13 98.73 8.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.567 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 25.1 pt -54.45 -10.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.338 -177.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . 0.443 ' H ' ' C ' ' A' ' 513' ' ' ASP . 18.0 m-85 -76.18 -13.65 60.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.419 -178.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.519 ' HE2' HG22 ' A' ' 511' ' ' THR . 25.8 pttt -98.71 -11.68 21.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.573 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . 0.539 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -132.39 116.49 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 -178.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . 0.752 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 104.29 45.13 1.49 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 177.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 10.4 mt -57.23 30.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.722 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 1.039 HG21 ' H13' ' A' ' 600' ' ' VRB . 72.9 p -77.56 -173.81 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.534 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.542 ' O ' ' ND2' ' A' ' 525' ' ' ASN . 21.0 pt-20 -110.03 -41.54 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.375 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 526' ' ' GLN . 6.2 t -70.41 -48.23 57.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.254 -178.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.429 ' NE2' HD22 ' A' ' 527' ' ' LEU . 55.6 t60 -56.07 -53.0 62.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.453 -177.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.408 HD21 ' O ' ' A' ' 518' ' ' GLY . 9.4 mt -57.76 -47.78 81.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 80.5 m-20 -72.39 -22.54 61.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.772 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 522' ' ' CYS . 5.0 tt0 -83.12 -30.44 27.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.624 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.429 HD22 ' NE2' ' A' ' 523' ' ' HIS . 8.9 mp -92.43 -33.8 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.587 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 6.2 mtp180 -43.2 -58.26 4.35 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.639 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 10.8 Cg_endo -55.15 -26.86 53.03 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.765 2.31 . . . . 0.0 112.052 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 24.6 mt -87.38 -8.6 56.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.545 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 531' ' ' LYS . 0.0 OUTLIER 54.07 27.16 7.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 7.9 t -75.71 124.24 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.474 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 61.2 mtp180 -127.05 75.41 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.567 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.7 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.177 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.557 ' CG ' HE22 ' A' ' 509' ' ' GLN . 24.6 t-20 -174.54 98.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.113 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 50.2 tp -134.02 113.2 11.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.196 177.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.459 HG21 ' OH ' ' A' ' 503' ' ' TYR . 18.4 m -124.35 120.97 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.26 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.662 HG13 ' O ' ' A' ' 538' ' ' VAL . 8.7 p -119.68 107.46 40.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.976 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . 0.534 ' CG ' ' O ' ' A' ' 507' ' ' ARG . 31.5 Cg_exo -54.46 133.95 59.02 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.753 2.302 . . . . 0.0 112.4 -175.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.523 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 55.0 mmm -117.41 113.76 22.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.233 175.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 541' ' ' VAL . 4.0 m -122.53 125.11 72.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.957 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 545' ' ' GLN . 96.4 mt -104.07 139.97 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.863 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . 0.4 ' O ' ' CB ' ' A' ' 544' ' ' ASP . 84.7 m-20 43.17 30.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -176.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . 0.599 ' O ' ' NE ' ' A' ' 504' ' ' ARG . 18.4 t0 75.75 25.75 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.414 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 542' ' ' ILE . 24.0 mt-30 -126.75 125.12 41.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.677 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 17.2 tp -62.76 92.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.517 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.1 OUTLIER -88.62 -38.11 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.578 -176.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . 0.504 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -155.24 -179.99 30.81 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.432 HD23 HD11 ' A' ' 551' ' ' ILE . 34.9 tp -148.51 137.48 21.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.739 0.304 . . . . 0.0 110.369 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.468 ' CD1' HG22 ' A' ' 462' ' ' VAL . 23.4 tp -105.43 116.32 31.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.666 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.493 HG22 ' NE2' ' A' ' 553' ' ' HIS . 6.2 mt -121.74 133.97 66.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.501 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.43 140.88 44.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.543 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.493 ' NE2' HG22 ' A' ' 551' ' ' ILE . 38.9 m80 -137.62 139.22 40.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.614 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -90.46 115.92 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.693 175.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.449 ' O ' ' CH2' ' A' ' 482' ' ' TRP . . . -83.88 -10.69 57.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.349 -178.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 42.2 t -100.32 -72.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.313 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.16 158.56 54.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.512 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -47.87 160.16 0.5 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.865 2.377 . . . . 0.0 112.012 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.615 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 43.2 ttt85 -153.94 150.07 27.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.64 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . 0.519 ' NE2' ' OG1' ' A' ' 512' ' ' THR . 8.9 tp-100 -110.49 110.2 20.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.432 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.812 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.1 OUTLIER -82.82 119.63 24.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 178.793 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -70.49 160.2 32.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.328 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -57.99 -35.4 71.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 110.539 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . 0.474 ' O ' ' OE1' ' A' ' 568' ' ' GLN . 32.9 mm -61.21 -41.42 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.452 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.14 -31.98 70.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.527 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 29.7 mm -66.78 -46.2 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.558 177.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -51.35 -49.19 61.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.513 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.474 ' OE1' ' O ' ' A' ' 564' ' ' ILE . 10.9 mp0 -61.98 -39.75 93.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.489 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.612 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.4 m-85 -57.86 -43.88 86.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.329 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 574' ' ' SER . 11.7 t -58.18 -52.87 63.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.413 -178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.75 -40.62 95.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.36 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 572' ' ' LEU . 47.4 tp -63.1 -54.88 31.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.478 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.523 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -66.03 -42.54 89.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 570' ' ' SER . 74.7 m -57.36 -33.08 67.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.604 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 55.1 m -57.14 -46.82 82.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.687 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -54.5 -45.12 77.59 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 1.9 t -51.52 -41.39 60.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.705 0.288 . . . . 0.0 110.615 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -57.99 -43.86 86.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.667 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.48 -46.41 80.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.674 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.422 HD21 HD12 ' A' ' 443' ' ' ILE . 77.5 mt -65.48 -36.92 85.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.615 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.06 -41.48 78.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.604 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -64.38 -36.1 83.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.623 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 15.2 tp -53.81 -38.43 64.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.619 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -55.41 -32.58 62.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.67 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -98.43 131.34 44.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.702 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 589' ' ' THR . 26.5 tp -146.13 148.42 32.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.529 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . 0.408 ' C ' ' H ' ' A' ' 589' ' ' THR . 46.6 tp10 -40.68 -32.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.581 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -79.94 29.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 586' ' ' LEU . 1.6 t -57.14 -9.11 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.58 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 26.9 mt -71.65 63.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.562 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -70.88 -17.28 62.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 593' ' ' LEU . 31.4 m -59.28 -34.59 72.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.614 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 592' ' ' SER . 16.0 tp . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.559 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' VRB . . . . . 1.039 ' H13' HG21 ' A' ' 520' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 88.7 mtp . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -98.78 130.39 45.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -84.26 113.44 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 33.4 m -97.84 134.68 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.531 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . 0.438 ' OE1' ' OE2' ' A' ' 436' ' ' GLU . 93.2 mt-30 -140.38 112.97 8.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 434' ' ' LEU . 8.8 mp -65.48 -32.21 73.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 84.0 p -57.85 -35.36 70.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.569 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . 0.438 ' OE2' ' OE1' ' A' ' 433' ' ' GLN . 98.4 mt-10 -68.79 -36.74 78.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 30.0 mt -76.89 146.22 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -132.96 157.81 44.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.661 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -73.39 53.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.521 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.466 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 4.1 ptp85 -59.19 -27.65 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.676 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . 0.56 ' CD ' HH21 ' A' ' 486' ' ' ARG . 42.4 tp60 -68.79 -29.98 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.679 -176.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.65 -57.84 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.613 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 13.8 pt -45.13 -38.56 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.786 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . 0.402 ' N ' HG13 ' A' ' 443' ' ' ILE . 26.8 m-85 -59.42 -45.01 92.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.012 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 97.2 mt-10 -58.03 -34.65 70.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.145 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 71.9 m -60.59 -31.45 70.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.99 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.528 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.9 mt -82.22 -49.0 10.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 74.3 t -69.99 -35.7 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.116 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -64.76 -48.08 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.788 0.328 . . . . 0.0 110.811 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -72.86 -36.74 67.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -58.05 -51.73 56.61 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 8.6 ptm180 -79.23 -29.49 42.75 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.991 -0.283 . . . . 0.0 111.053 -178.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -76.69 -54.53 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.715 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 53.3 mt -69.27 -44.37 72.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.645 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.1 mt -84.62 -14.42 48.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.729 -178.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 59.62 55.71 3.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.371 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 76.6 m -94.61 152.85 18.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.694 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.435 ' OD2' ' OE1' ' A' ' 554' ' ' GLN . 80.1 m-20 -75.52 -53.55 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.49 -178.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.488 ' O ' ' O ' ' A' ' 553' ' ' HIS . 35.0 ttt180 -143.01 142.34 31.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.517 -177.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 34.4 m -147.05 135.21 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.467 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.495 ' CD1' ' H31' ' A' ' 600' ' ' VRB . 15.1 mt -114.27 137.04 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.766 -178.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.596 HG22 ' CD1' ' A' ' 550' ' ' LEU . 2.5 t -133.46 124.87 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.529 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 24.5 p90 -140.99 141.18 34.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.653 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -82.31 148.49 28.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.405 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.6 m-85 -81.64 147.21 29.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.603 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -111.57 -172.7 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.494 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 52.7 p30 -81.31 -10.9 59.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.467 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . 0.736 ' O ' HG23 ' A' ' 470' ' ' VAL . 92.7 m-20 -105.64 26.07 10.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.499 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . 0.447 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.2 m-85 55.47 20.71 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.382 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 468' ' ' ASN . 23.0 t -110.06 131.93 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.63 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -78.39 170.1 54.68 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . 0.404 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 64.1 m -145.72 105.84 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.53 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . 0.475 ' HB ' ' H ' ' A' ' 488' ' ' GLN . 19.1 t -68.81 96.91 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.687 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.475 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 11.6 p -94.17 -21.81 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.283 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -150.91 133.62 15.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.357 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -153.6 153.15 31.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.656 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 42.0 t -139.54 128.25 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.4 m -132.55 139.34 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 -177.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.794 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -55.69 170.02 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.704 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -73.85 125.58 28.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.441 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.72 -10.63 25.57 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . 0.794 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 38.7 m95 -103.0 147.78 34.63 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.811 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -66.45 127.9 18.21 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.056 2.504 . . . . 0.0 111.892 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -88.23 147.14 24.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.779 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . 0.462 ' HB1' ' CD ' ' A' ' 488' ' ' GLN . . . -114.68 -96.23 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.56 HH21 ' CD ' ' A' ' 441' ' ' GLN . 20.6 ttt180 58.17 133.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.677 -178.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 68.79 21.13 7.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.475 ' H ' ' HB ' ' A' ' 473' ' ' VAL . 26.3 mt-30 -104.35 151.84 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.492 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 489' ' ' VAL . 8.8 p -108.69 129.29 63.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.684 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.427 HD12 ' CD2' ' A' ' 463' ' ' TYR . 54.0 mt -104.76 127.76 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.711 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . 0.434 ' HA ' HH12 ' A' ' 496' ' ' ARG . 70.6 tt0 -118.53 96.96 5.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.284 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.719 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 16.1 m-20 -135.55 82.51 39.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.738 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . 0.467 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 73.3 Cg_endo -78.09 40.97 0.94 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.721 2.281 . . . . 0.0 112.23 -175.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.768 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -100.74 -75.48 0.58 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 118.956 -0.545 . . . . 0.0 109.843 178.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . 0.768 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 23.5 p90 -75.19 -51.59 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.067 0.394 . . . . 0.0 110.312 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.719 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 29.2 ptt180 -54.24 -15.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.601 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 68.8 tt0 -89.82 -58.7 2.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.522 -178.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . 0.506 ' C ' ' H ' ' A' ' 500' ' ' VAL . 1.2 m80 -91.23 -46.8 7.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.455 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' ' 495' ' ' PHE . 12.0 m95 -73.73 21.74 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.548 -178.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 1.079 HG13 ' H ' ' A' ' 501' ' ' GLU . 3.6 p -67.35 -70.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.463 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 1.079 ' H ' HG13 ' A' ' 500' ' ' VAL . 22.2 pt-20 -50.16 -39.13 42.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -55.08 -45.82 75.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.473 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . 0.424 ' OH ' HG21 ' A' ' 537' ' ' VAL . 4.1 m-85 -62.44 -40.09 95.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.612 178.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.586 ' NE ' ' O ' ' A' ' 544' ' ' ASP . 5.7 tpt180 -48.89 -37.54 20.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.753 177.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -76.09 -8.06 56.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.692 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 90.2 34.6 8.03 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -76.22 155.33 34.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.824 0.345 . . . . 0.0 110.596 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 4.5 pt -139.15 159.14 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.516 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . 0.61 HE22 ' ND2' ' A' ' 535' ' ' ASN . 0.0 OUTLIER -140.96 124.68 16.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.657 177.329 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.783 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.02 118.31 32.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.388 -177.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.509 ' OG1' ' OE1' ' A' ' 509' ' ' GLN . 0.3 OUTLIER -128.56 107.24 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.711 177.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . 0.426 ' OG1' ' OE1' ' A' ' 560' ' ' GLN . 99.6 m -61.31 -60.35 3.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.516 -178.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.586 ' OD1' ' N ' ' A' ' 513' ' ' ASP . 8.5 p-10 -105.07 99.91 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.598 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.601 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 40.4 pt -52.83 -8.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.32 -179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . 0.501 ' H ' ' C ' ' A' ' 513' ' ' ASP . 35.1 m-85 -82.24 7.3 14.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.503 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.74 -10.41 14.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.641 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -128.22 113.26 15.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . 0.663 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 81.54 46.16 6.99 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . 0.406 ' CD2' ' O ' ' A' ' 515' ' ' PHE . 11.7 mt -49.68 -1.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.708 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.663 ' H ' ' C ' ' A' ' 518' ' ' GLY . 35.2 m -153.58 128.47 9.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.534 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.7 ' CB ' ' H14' ' A' ' 600' ' ' VRB . 6.1 pt-20 159.01 171.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.376 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 526' ' ' GLN . 25.5 p -65.76 -27.6 68.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.218 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.493 ' NE2' ' N29' ' A' ' 600' ' ' VRB . 3.7 t60 -52.21 -50.37 62.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.48 -176.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.411 HD11 ' O ' ' A' ' 518' ' ' GLY . 4.6 mt -56.42 -50.69 70.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.471 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -73.4 -20.72 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.752 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 522' ' ' CYS . 5.4 tt0 -87.15 -27.12 23.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.629 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 9.4 mp -101.11 -11.16 19.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.596 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 2.3 ttt85 -55.57 -44.81 99.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.644 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 12.7 Cg_exo -69.39 -25.68 30.08 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.846 2.364 . . . . 0.0 112.069 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 37.7 mt -85.76 -13.27 48.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.505 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 6.1 tptp 63.53 25.09 14.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.498 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 7.0 t -69.57 112.29 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.526 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 75.1 mtt180 -122.34 74.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.626 ' HB1' ' CH2' ' A' ' 561' ' ' TRP . . . 171.14 -170.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.266 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.61 ' ND2' HE22 ' A' ' 509' ' ' GLN . 24.2 t30 -174.94 99.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 111.063 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 561' ' ' TRP . 39.3 tp -134.25 113.63 12.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.149 177.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.424 HG21 ' OH ' ' A' ' 503' ' ' TYR . 19.4 m -115.58 121.84 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.228 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.63 ' O ' HD12 ' A' ' 549' ' ' LEU . 69.4 t -119.92 112.69 34.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.902 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.88 133.86 37.82 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.812 2.341 . . . . 0.0 112.332 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.526 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 46.4 mmm -114.41 117.33 30.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.152 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 12.5 t -119.62 128.2 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.98 0.419 . . . . 0.0 110.894 -176.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.617 ' O ' ' N ' ' A' ' 545' ' ' GLN . 28.6 mm -109.55 135.11 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.883 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 544' ' ' ASP . 58.8 t0 41.03 30.89 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.097 0.475 . . . . 0.0 109.857 -177.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . 0.586 ' O ' ' NE ' ' A' ' 504' ' ' ARG . 11.9 t0 80.25 25.59 0.34 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.474 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.617 ' N ' ' O ' ' A' ' 542' ' ' ILE . 24.4 mt-30 -130.37 126.62 37.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.613 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.04 94.83 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.521 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.681 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -94.67 -30.7 14.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.572 -176.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . 0.681 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -155.73 -178.9 30.39 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -177.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.647 HD12 ' H ' ' A' ' 550' ' ' LEU . 11.2 tp -153.85 139.8 18.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.727 0.299 . . . . 0.0 110.393 -178.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.647 ' H ' HD12 ' A' ' 549' ' ' LEU . 25.8 tp -107.75 119.39 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.663 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.585 HG22 ' NE2' ' A' ' 553' ' ' HIS . 1.9 mt -124.29 132.53 71.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . 0.473 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -117.79 148.03 42.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.585 ' NE2' HG22 ' A' ' 551' ' ' ILE . 0.4 OUTLIER -151.36 149.29 29.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.676 178.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.435 ' OE1' ' OD2' ' A' ' 458' ' ' ASP . 87.2 mm-40 -87.47 121.26 29.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.763 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -80.74 -9.5 59.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.281 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 58.8 p -99.72 -72.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.307 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -142.17 159.08 59.96 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.485 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -49.1 163.53 0.33 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.864 2.376 . . . . 0.0 112.031 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.57 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 37.1 ttt85 -159.07 151.85 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.662 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . 0.426 ' OE1' ' OG1' ' A' ' 512' ' ' THR . 67.8 tp60 -109.06 107.58 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.489 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.783 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.2 OUTLIER -82.07 119.88 24.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.706 179.432 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -71.12 159.21 35.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.356 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -56.33 -33.39 65.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.446 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . 0.415 HG22 ' NE2' ' A' ' 568' ' ' GLN . 93.1 mt -66.67 -38.18 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.437 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.41 -32.49 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.618 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 23.0 mt -73.13 -42.44 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.556 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -51.13 -48.75 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.502 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.571 ' OE1' ' N ' ' A' ' 568' ' ' GLN . 0.5 OUTLIER -59.75 -41.55 91.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.539 179.313 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.7 m-85 -57.43 -41.17 79.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.429 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 65.5 m -60.03 -51.46 69.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.358 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.54 -43.16 97.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.354 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.39 -53.83 49.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.473 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.526 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -63.14 -43.8 97.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.0 p -58.83 -33.35 70.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 23.8 m -49.82 -53.12 27.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.724 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -52.04 -39.85 50.04 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 11.3 p -49.46 -47.85 48.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.673 0.273 . . . . 0.0 110.686 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 12.3 mt -50.3 -41.42 50.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.731 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.99 -46.53 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.602 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 580' ' ' LEU . 9.7 mp -65.38 -35.86 82.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.615 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -56.64 -39.63 74.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.541 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -69.7 -35.26 74.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.589 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 32.3 tp -59.22 -37.21 76.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.689 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -55.88 -39.22 71.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.686 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -100.82 136.27 40.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.651 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 38.4 mt -75.2 79.98 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.457 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -71.15 -23.41 62.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.554 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -80.91 48.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.565 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 58.3 p -61.14 -16.03 39.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.616 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 58.9 mt -110.56 87.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.557 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -76.4 -8.7 57.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 29.7 t -55.85 -39.02 70.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.604 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 593' ' ' LEU . 10.4 mp . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.564 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' VRB . . . . . 0.7 ' H14' ' CB ' ' A' ' 521' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 16.1 mmt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -160.53 143.16 13.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 40.19 72.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 432' ' ' VAL . 32.8 m -59.0 129.89 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.506 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -69.87 120.78 16.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.613 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.536 ' C ' ' H ' ' A' ' 436' ' ' GLU . 5.7 tp -66.16 -22.55 66.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.499 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.595 ' C ' ' H ' ' A' ' 437' ' ' LEU . 43.0 t -50.63 -7.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.523 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . 0.536 ' H ' ' C ' ' A' ' 434' ' ' LEU . 45.0 tt0 -68.97 27.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.595 ' H ' ' C ' ' A' ' 435' ' ' SER . 14.5 tp -77.94 124.85 28.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.62 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 40.7 82.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.651 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -63.53 165.13 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.518 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.5 ' O ' ' CD2' ' A' ' 444' ' ' PHE . 2.9 ptp180 -54.25 -27.76 36.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.669 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . 0.542 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 1.6 tm0? -67.83 -34.2 76.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.737 -177.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.16 -58.21 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.594 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 440' ' ' ARG . 14.4 pt -43.21 -39.49 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.746 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 440' ' ' ARG . 29.5 m-85 -59.35 -44.24 92.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.991 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.513 ' CD ' HE22 ' A' ' 441' ' ' GLN . 96.5 mt-10 -54.96 -35.06 63.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 89.6 m -59.05 -34.82 72.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.992 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.517 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.3 mt -79.14 -49.56 12.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.232 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.678 HG22 HG21 ' A' ' 462' ' ' VAL . 2.4 t -69.48 -37.22 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.113 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -63.16 -45.43 91.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.853 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 454' ' ' LEU . 4.1 mptt -72.37 -46.65 54.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -49.2 -49.37 31.0 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 35.5 ptt85 -76.97 -32.91 57.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.67 0.271 . . . . 0.0 111.069 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -78.32 -58.69 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.797 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 450' ' ' LYS . 46.5 mt -59.4 -41.74 90.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.692 -177.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.613 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.4 mt -90.51 -11.06 41.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.739 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 58.79 54.08 5.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.36 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . 0.605 ' SG ' ' NE2' ' A' ' 554' ' ' GLN . 5.9 t -93.7 153.2 18.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.703 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -76.47 -50.91 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.492 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.534 ' O ' ' O ' ' A' ' 553' ' ' HIS . 26.7 ttt180 -141.6 140.56 33.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.561 -178.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . 0.404 HG12 ' HB1' ' A' ' 552' ' ' ALA . 18.9 m -146.99 136.1 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.409 178.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 17.5 mt -114.74 142.22 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.801 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.678 HG21 HG22 ' A' ' 448' ' ' VAL . 5.7 t -139.24 127.26 26.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.454 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.474 ' HB2' ' C ' ' A' ' 472' ' ' THR . 26.1 p90 -140.21 159.05 43.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.671 -178.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -99.15 142.41 30.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.499 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 547' ' ' PHE . 1.7 m-85 -83.22 146.12 28.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -111.71 -171.26 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.512 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 54.3 p30 -82.82 -12.65 57.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.483 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 470' ' ' VAL . 91.8 m-20 -105.95 31.98 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.458 -178.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . 0.534 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 51.1 m-85 53.14 17.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.417 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 468' ' ' ASN . 42.7 t -107.38 127.26 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.616 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -86.63 177.91 48.59 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . 0.474 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 53.9 m -149.47 110.2 4.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.78 0.324 . . . . 0.0 110.632 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . 0.513 ' HB ' ' H ' ' A' ' 488' ' ' GLN . 43.1 t -69.43 84.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.67 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 28.3 m -80.23 -20.29 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.354 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -153.33 136.27 15.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.351 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -151.86 152.46 32.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.689 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 60.3 p -138.9 126.73 22.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.586 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.2 m -134.71 139.14 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.574 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.802 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -56.34 171.33 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.669 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -74.41 125.31 28.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.471 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.49 -10.8 26.06 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . 0.802 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 41.9 m95 -102.2 148.07 34.87 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 110.774 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -63.51 128.65 22.94 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.922 2.414 . . . . 0.0 111.918 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -92.69 146.63 23.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.714 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . 0.584 ' HB1' ' CD ' ' A' ' 488' ' ' GLN . . . -115.21 -96.89 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.66 HH11 ' CG ' ' A' ' 486' ' ' ARG . 0.0 OUTLIER 68.1 128.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.651 -178.791 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . . . . . . . . . 29.4 t0 67.15 26.21 8.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.53 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.584 ' CD ' ' HB1' ' A' ' 485' ' ' ALA . 73.5 mt-30 -101.99 146.32 28.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 178.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 46.1 t -101.59 129.43 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.463 HD12 ' CD2' ' A' ' 463' ' ' TYR . 48.0 mt -102.03 119.13 49.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.688 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . 0.454 ' HG3' HH22 ' A' ' 496' ' ' ARG . 66.7 tt0 -115.56 93.85 4.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.303 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.79 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 69.7 m-20 -134.33 80.11 53.19 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.708 179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . 0.519 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 58.6 Cg_endo -74.1 38.96 0.5 Allowed 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.821 2.347 . . . . 0.0 112.176 -176.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.706 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -98.52 -78.21 0.5 Allowed 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.049 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . 0.706 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 31.2 p90 -75.82 -54.83 6.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.881 0.372 . . . . 0.0 110.328 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.79 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 21.5 ptt180 -49.77 -13.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.639 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . 0.451 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 58.7 tt0 -91.09 -58.14 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.545 -177.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -95.75 -45.02 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.471 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.475 ' O ' ' HB3' ' A' ' 502' ' ' ALA . 6.9 m95 -65.78 -3.54 5.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.477 -177.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.991 HG13 ' H ' ' A' ' 501' ' ' GLU . 6.0 p -50.03 -66.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.519 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.991 ' H ' HG13 ' A' ' 500' ' ' VAL . 21.4 pt-20 -48.15 -37.61 16.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.526 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 499' ' ' TRP . . . -62.51 -43.69 98.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.571 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 506' ' ' GLY . 4.0 m-85 -61.58 -39.9 92.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.66 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.846 HH21 ' H ' ' A' ' 546' ' ' LEU . 1.7 mpt_? -50.93 -36.79 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.774 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -74.98 -10.17 59.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.689 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 90.12 35.44 7.6 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 178.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -77.53 154.2 32.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.784 0.326 . . . . 0.0 110.58 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 536' ' ' LEU . 4.3 tt -139.39 155.93 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.452 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . 0.58 ' O ' ' NE2' ' A' ' 509' ' ' GLN . 0.7 OUTLIER -131.62 122.69 26.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.69 178.021 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.816 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.46 114.19 23.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.383 -177.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.629 HG21 ' HB3' ' A' ' 517' ' ' ALA . 0.4 OUTLIER -129.64 111.55 12.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.645 177.063 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . 0.488 ' OG1' ' NE2' ' A' ' 560' ' ' GLN . 61.7 m -62.78 -58.23 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.51 -179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 515' ' ' PHE . 38.7 t0 -106.61 99.9 9.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.585 -178.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.653 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 43.6 pt -54.33 -11.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.347 -178.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . 0.422 ' H ' ' C ' ' A' ' 513' ' ' ASP . 16.9 m-85 -74.23 -12.91 60.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.436 -177.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -100.23 -13.67 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . 0.629 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -130.83 115.99 17.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.515 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . 0.691 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 102.64 43.96 1.89 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 519' ' ' LEU . 13.4 mt -59.99 34.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.728 0.299 . . . . 0.0 110.676 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.857 HG22 ' H ' ' A' ' 521' ' ' GLU . 40.7 m -75.95 179.6 5.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.54 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.857 ' H ' HG22 ' A' ' 520' ' ' THR . 7.2 pt-20 -104.04 -48.69 3.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.37 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 13.7 p -72.29 -44.15 63.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.222 -177.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.609 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 2.4 t60 -58.77 -55.38 35.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.393 -177.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 520' ' ' THR . 38.8 mt -52.17 -46.0 65.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.495 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 80.7 m-20 -72.53 -9.69 58.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.79 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . 0.446 HE21 ' HB3' ' A' ' 526' ' ' GLN . 3.8 tt0 -90.86 -28.81 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.619 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 527' ' ' LEU . 9.2 mp -96.85 -20.12 18.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.589 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 2.8 ttt180 -54.34 -45.42 99.28 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.69 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 12.4 Cg_exo -69.12 -29.21 27.31 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.8 2.333 . . . . 0.0 112.076 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.441 ' O ' ' NH1' ' A' ' 459' ' ' ARG . 35.4 mt -85.28 -13.02 51.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.51 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? 65.2 23.62 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.465 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 13.7 t -70.58 114.56 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.522 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 60.7 mtp180 -123.78 73.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.588 178.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.653 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 172.08 -169.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.19 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.551 ' CB ' HE22 ' A' ' 509' ' ' GLN . 19.6 t-20 -172.86 101.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 111.032 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . 0.503 HD11 HD11 ' A' ' 508' ' ' ILE . 61.5 tp -136.73 112.37 9.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.125 177.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 537' ' ' VAL . 35.1 m -117.17 120.16 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.976 0.417 . . . . 0.0 111.163 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.676 ' O ' HD12 ' A' ' 549' ' ' LEU . 2.1 t -115.91 109.6 44.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.998 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -62.83 133.28 41.02 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.799 2.332 . . . . 0.0 112.33 -174.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.445 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 70.8 mmm -125.46 102.35 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.207 176.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 541' ' ' VAL . 3.6 m -117.48 123.02 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.979 -176.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 545' ' ' GLN . 75.3 mt -105.7 141.88 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.913 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 45.27 41.07 5.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 61.81 26.52 16.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.477 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 542' ' ' ILE . 7.7 tt0 -127.47 132.81 49.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.589 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . 0.846 ' H ' HH21 ' A' ' 504' ' ' ARG . 18.3 tp -68.43 92.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.525 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 465' ' ' PHE . 0.0 OUTLIER -81.89 -41.15 21.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.583 -177.557 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . 0.446 ' N ' ' CD2' ' A' ' 547' ' ' PHE . . . -162.59 -179.48 37.21 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -177.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 538' ' ' VAL . 14.5 tp -147.62 139.07 23.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.773 0.32 . . . . 0.0 110.353 -178.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 549' ' ' LEU . 21.7 tp -103.23 110.25 22.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.472 ' CG2' HG12 ' A' ' 537' ' ' VAL . 0.2 OUTLIER -115.78 132.03 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 -178.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . 0.485 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -122.26 147.94 45.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.534 ' O ' ' O ' ' A' ' 459' ' ' ARG . 1.2 m80 -151.99 149.15 28.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.62 ' NE2' ' NH1' ' A' ' 559' ' ' ARG . 24.4 mp0 -94.55 108.98 20.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.729 177.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.92 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.319 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 557' ' ' GLU . 93.4 p -67.82 -72.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.268 -178.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.454 ' N ' ' OG ' ' A' ' 556' ' ' SER . 41.8 mt-10 -146.49 159.42 44.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.479 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -46.31 162.44 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.946 2.431 . . . . 0.0 112.038 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.62 ' NH1' ' NE2' ' A' ' 554' ' ' GLN . 23.4 ttt-85 -159.13 153.08 23.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.692 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . 0.488 ' NE2' ' OG1' ' A' ' 512' ' ' THR . 9.4 tp-100 -111.83 109.78 19.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.516 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.816 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.1 OUTLIER -80.53 117.49 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.7 178.061 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -68.77 161.23 28.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.37 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -58.38 -34.98 71.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.472 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . 0.506 HG22 ' NE2' ' A' ' 568' ' ' GLN . 37.1 mm -63.9 -38.78 83.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.465 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.15 -33.08 74.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.498 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.37 -45.74 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.587 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -52.53 -48.2 66.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.579 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.597 ' OE1' ' N ' ' A' ' 568' ' ' GLN . 0.5 OUTLIER -61.71 -40.12 93.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.291 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.613 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 4.4 m-85 -57.48 -42.48 82.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.371 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 11.2 t -59.92 -51.34 70.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.374 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -63.19 -42.35 99.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.365 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 16.4 tp -62.27 -52.5 63.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.489 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.445 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -64.25 -42.16 96.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.623 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.7 p -56.05 -32.62 64.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.571 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 31.0 m -59.08 -43.37 91.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.762 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -56.27 -46.06 87.08 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 1.5 t -50.2 -43.45 52.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.729 0.3 . . . . 0.0 110.712 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -56.25 -42.2 77.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.67 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.07 -48.58 88.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.55 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.462 ' CD1' ' CE1' ' A' ' 547' ' ' PHE . 25.4 mt -69.85 -33.1 71.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.695 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -56.87 -43.01 80.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 585' ' ' PHE . 90.8 mtt-85 -64.85 -42.3 95.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.59 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 35.6 tp -61.69 -41.36 97.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.645 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -73.48 -34.58 65.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.666 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.463 ' CG ' ' N ' ' A' ' 586' ' ' LEU . 67.8 t80 -96.02 167.25 11.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.614 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . 0.463 ' N ' ' CG ' ' A' ' 585' ' ' PHE . 6.1 tp 57.04 53.46 7.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.548 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.72 -42.07 99.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -173.73 40.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.561 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 591' ' ' ALA . 37.9 m -64.26 -23.89 67.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 15.0 pt -67.66 61.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.645 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 589' ' ' THR . . . -76.73 -42.71 40.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.556 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 87.8 p -60.88 -27.57 68.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.561 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.572 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' VRB . . . . . 0.699 ' H14' ' OG1' ' A' ' 520' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 78.2 mmm . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -155.48 142.02 18.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.621 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -67.96 -41.38 82.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.485 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 25.8 t -69.72 132.21 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -74.59 130.86 40.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.33 -28.15 69.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 23.3 t -51.57 -40.24 59.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.2 -46.76 72.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 6.5 tp -53.34 105.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.607 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -173.83 -81.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.578 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -78.88 140.6 38.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.514 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.475 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 4.6 ptp180 -60.75 -27.04 67.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . 0.519 ' OE1' ' NH2' ' A' ' 486' ' ' ARG . 61.4 tp60 -68.74 -29.34 67.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.708 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.17 -58.01 4.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.61 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . 0.567 HG21 HG11 ' A' ' 579' ' ' VAL . 13.8 pt -45.19 -38.43 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . 0.41 ' N ' HG13 ' A' ' 443' ' ' ILE . 31.1 m-85 -61.18 -46.44 90.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.011 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 77.6 mm-40 -52.27 -37.9 56.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.02 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 97.1 m -60.33 -46.25 90.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.999 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.558 ' N ' HD23 ' A' ' 447' ' ' LEU . 1.7 mt -62.04 -53.82 50.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.644 HG22 HG21 ' A' ' 462' ' ' VAL . 2.4 t -68.37 -38.25 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.148 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -62.43 -45.91 90.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.821 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -70.91 -43.1 68.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.827 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -51.53 -50.49 41.85 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 456' ' ' ALA . 9.4 ptm180 -77.97 -30.63 50.36 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.071 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -77.89 -55.76 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.738 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 39.7 mt -65.76 -41.41 92.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.682 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 11.9 mt -89.86 -13.22 36.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.803 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . 0.452 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 58.99 55.33 4.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.339 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 76.0 m -95.12 154.78 17.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.741 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -77.7 -51.59 10.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.493 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 553' ' ' HIS . 21.8 ttt180 -139.06 140.24 38.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 19.7 m -145.82 133.04 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.515 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 25.3 mt -114.9 137.53 48.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.829 -178.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.644 HG21 HG22 ' A' ' 448' ' ' VAL . 2.6 t -135.71 126.23 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.466 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.496 ' CD2' HD12 ' A' ' 490' ' ' ILE . 27.0 p90 -140.65 145.35 36.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.609 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -85.39 146.55 26.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.411 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 547' ' ' PHE . 1.9 m-85 -82.18 147.36 29.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -111.85 -172.18 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.549 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 468' ' ' ASN . 58.8 p30 -81.65 -12.48 58.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 467' ' ' ASP . 83.4 m-20 -104.75 28.07 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.497 -179.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . 0.424 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 7.4 m-85 54.61 19.71 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.394 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . . . . . . . . . 39.1 t -109.48 129.13 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.572 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.444 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -79.53 173.35 55.17 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -177.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 68.8 m -147.39 107.1 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . 0.41 ' HB ' ' H ' ' A' ' 488' ' ' GLN . 21.4 t -66.64 92.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.737 -178.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.512 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 15.0 p -89.26 -21.81 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.362 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . 0.519 ' HB2' ' NE2' ' A' ' 441' ' ' GLN . . . -153.75 137.57 16.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.431 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -154.93 152.96 30.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.704 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 57.7 m -139.97 127.99 22.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.633 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.14 142.32 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.591 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.721 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -58.16 172.83 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.684 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -75.49 126.13 30.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.442 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 113.83 -12.8 22.53 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . 0.721 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 48.5 m95 -99.8 167.9 10.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.811 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -85.52 127.85 3.34 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 123.046 2.497 . . . . 0.0 111.887 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -90.54 147.44 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.694 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -113.87 -105.03 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.656 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.519 ' NH2' ' OE1' ' A' ' 441' ' ' GLN . 0.0 OUTLIER 67.27 124.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.671 -178.366 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . 0.418 ' N ' ' HD3' ' A' ' 486' ' ' ARG . 18.0 t0 73.78 18.35 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.575 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.41 ' H ' ' HB ' ' A' ' 473' ' ' VAL . 26.1 mt-30 -102.55 149.46 24.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.553 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 489' ' ' VAL . 7.8 p -105.13 128.77 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.496 HD12 ' CD2' ' A' ' 463' ' ' TYR . 70.1 mt -104.01 119.38 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.708 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . 0.451 ' HA ' HH12 ' A' ' 496' ' ' ARG . 87.4 mt-10 -111.5 95.1 5.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.324 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.679 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 0.3 OUTLIER -130.8 75.42 78.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 179.192 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . 0.548 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 46.2 Cg_endo -70.16 32.51 0.2 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.758 2.305 . . . . 0.0 112.174 -178.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.769 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -92.78 -77.83 0.43 Allowed 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.89 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . 0.769 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 24.9 p90 -76.66 -50.84 12.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 0.0 110.343 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.679 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 26.6 ptt180 -52.93 -14.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.655 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . 0.454 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 74.4 tt0 -89.89 -58.89 2.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.563 -178.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . 0.47 ' C ' ' H ' ' A' ' 500' ' ' VAL . 3.4 m80 -92.66 -42.81 9.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.453 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.459 ' N ' ' O ' ' A' ' 495' ' ' PHE . 12.7 m95 -75.51 22.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 -178.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 1.032 HG13 ' H ' ' A' ' 501' ' ' GLU . 4.1 p -71.47 -69.38 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 1.032 ' H ' HG13 ' A' ' 500' ' ' VAL . 20.4 mt-10 -47.7 -38.26 14.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -59.02 -44.16 91.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . 0.452 ' OH ' HG21 ' A' ' 537' ' ' VAL . 3.8 m-85 -62.43 -40.66 97.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.603 HH21 ' CB ' ' A' ' 546' ' ' LEU . 15.3 mmt85 -49.25 -35.47 17.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -77.52 -8.77 58.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 89.11 35.62 8.05 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -78.39 155.46 29.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.628 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.441 HD13 HG21 ' A' ' 566' ' ' ILE . 4.8 pt -137.64 157.32 33.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.439 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . 0.677 ' CD ' ' HG1' ' A' ' 511' ' ' THR . 1.4 tm0? -134.25 119.57 18.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.638 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.76 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -112.59 113.53 25.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.361 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.677 ' HG1' ' CD ' ' A' ' 509' ' ' GLN . 0.0 OUTLIER -128.04 106.03 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.645 178.017 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 64.4 m -61.91 -62.04 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.494 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' A' ' 515' ' ' PHE . 41.9 t0 -102.89 96.71 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.541 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 43.9 pt -51.85 -10.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.309 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . 0.473 ' H ' ' C ' ' A' ' 513' ' ' ASP . 23.3 m-85 -78.58 3.12 17.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.483 -178.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.57 ' HE3' HG22 ' A' ' 511' ' ' THR . 11.7 pttp -115.58 -13.56 11.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.633 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . 0.603 ' CB ' HG21 ' A' ' 511' ' ' THR . . . -130.03 114.53 15.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.586 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . 0.685 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 100.17 44.84 2.13 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 178.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 519' ' ' LEU . 10.1 mt -59.34 35.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 0.0 110.608 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.918 HG22 ' H ' ' A' ' 521' ' ' GLU . 2.4 m -76.84 -172.63 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.494 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.918 ' H ' HG22 ' A' ' 520' ' ' THR . 21.2 pt-20 -112.6 -43.35 3.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.352 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 521' ' ' GLU . 49.8 t -70.51 -40.3 73.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.213 -178.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.554 ' CA ' ' H12' ' A' ' 600' ' ' VRB . 7.2 t60 -61.02 -54.32 46.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.422 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' A' ' 524' ' ' LEU . 14.1 mt -51.68 -46.37 63.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.434 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -72.81 -8.34 55.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.743 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' A' ' 526' ' ' GLN . 3.6 tt0 -92.45 -30.33 15.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.592 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 527' ' ' LEU . 10.9 mp -98.36 -29.2 13.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.582 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.544 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 7.7 mtp180 -41.39 -59.06 2.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.649 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 18.2 Cg_endo -60.91 -24.56 79.62 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.792 2.328 . . . . 0.0 112.074 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 26.5 mt -86.23 -11.56 52.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.522 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 531' ' ' LYS . 0.0 OUTLIER 54.12 27.59 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.55 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 5.9 t -76.09 124.66 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 27.9 mtp85 -124.57 73.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 178.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.541 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 171.25 -174.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.251 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.604 ' ND2' ' NE2' ' A' ' 509' ' ' GLN . 42.7 t-20 -177.31 100.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.03 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . . . . . . . . . 28.8 tp -132.26 118.49 19.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.118 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 537' ' ' VAL . 34.9 m -116.8 122.89 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.193 -178.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.641 ' O ' HD12 ' A' ' 549' ' ' LEU . 73.5 t -120.43 111.39 34.98 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.947 178.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.31 133.1 33.73 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.778 2.319 . . . . 0.0 112.321 -173.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' A' ' 548' ' ' GLY . 66.4 mmm -117.45 109.18 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.262 175.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.1 t -118.88 124.92 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.961 0.41 . . . . 0.0 110.956 -175.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 545' ' ' GLN . 88.0 mt -113.27 139.68 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.845 177.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 44.98 35.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.056 0.455 . . . . 0.0 109.811 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 0.9 OUTLIER 68.96 25.37 6.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.445 179.33 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 542' ' ' ILE . 8.5 tt0 -127.58 136.33 51.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . 0.603 ' CB ' HH21 ' A' ' 504' ' ' ARG . 14.9 tp -72.8 93.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.543 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -86.54 -37.97 17.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.58 -176.791 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . 0.577 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -157.03 -178.94 31.58 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.641 HD12 ' O ' ' A' ' 538' ' ' VAL . 15.4 tp -153.3 138.23 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.704 0.288 . . . . 0.0 110.354 -178.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.592 ' H ' HD12 ' A' ' 549' ' ' LEU . 22.9 tp -105.13 116.88 32.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.678 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.532 HG22 ' NE2' ' A' ' 553' ' ' HIS . 5.0 mt -121.39 132.38 70.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.555 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.94 146.66 36.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.634 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.679 ' CE1' ' H33' ' A' ' 600' ' ' VRB . 34.1 m80 -142.99 135.65 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -96.96 103.04 14.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.799 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.491 ' HB1' ' CZ3' ' A' ' 482' ' ' TRP . . . -66.56 -38.33 86.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.307 -177.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 33.4 t -60.38 -72.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.325 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.13 161.7 29.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.536 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . 0.517 ' HD3' ' HE ' ' A' ' 533' ' ' ARG . 5.4 Cg_endo -46.13 157.92 0.36 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.888 2.392 . . . . 0.0 112.024 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.568 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 43.1 ttt85 -155.02 150.47 27.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.52 109.42 19.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.449 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.76 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.2 OUTLIER -82.1 118.56 23.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.763 178.209 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -70.78 160.97 31.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.323 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . 0.424 ' HG2' ' H ' ' A' ' 563' ' ' GLU . 6.2 pt-20 -57.13 -33.35 67.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.466 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . 0.568 HG22 HE21 ' A' ' 568' ' ' GLN . 22.0 mm -63.48 -39.74 86.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.436 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.576 ' OE1' ' N ' ' A' ' 565' ' ' GLU . 3.1 mp0 -62.11 -32.34 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.609 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.441 HG21 HD13 ' A' ' 508' ' ' ILE . 20.4 mm -67.62 -44.87 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 177.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -53.76 -49.37 68.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.565 177.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.568 HE21 HG22 ' A' ' 564' ' ' ILE . 40.8 mt-30 -59.54 -41.4 89.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.626 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 6.2 m-85 -58.28 -42.28 86.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.438 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 60.0 p -60.19 -53.35 58.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.417 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' A' ' 575' ' ' THR . 79.1 mm-40 -62.34 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.355 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 39.4 tp -63.3 -53.93 45.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.52 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.407 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -65.57 -44.02 88.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.533 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.3 p -58.12 -31.92 67.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 571' ' ' GLU . 49.0 m -56.72 -49.01 76.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.729 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -54.27 -44.41 75.42 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -41.01 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.649 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.38 -42.6 87.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.612 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.567 HG11 HG21 ' A' ' 443' ' ' ILE . 46.8 t -69.48 -41.41 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.639 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.481 HD13 ' CE2' ' A' ' 547' ' ' PHE . 93.6 mt -60.7 -38.37 84.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.664 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.72 -41.24 97.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -76.26 -37.48 57.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.555 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 28.5 tp -66.88 -27.82 67.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.635 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -54.31 -46.84 72.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -100.49 123.62 44.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.675 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 6.4 tp -174.18 93.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.575 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -61.71 -45.87 92.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.536 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 40.31 -128.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.526 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 14.9 t -131.12 16.57 5.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.59 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 12.8 pt -75.86 63.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.603 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.52 76.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 23.0 t -54.84 -40.1 69.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.623 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . 0.598 HD12 ' N ' ' A' ' 593' ' ' LEU . 10.2 mp . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.542 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' VRB . . . . . 0.679 ' H33' ' CE1' ' A' ' 553' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 74.9 mtm . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . 43.54 -104.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -62.53 143.43 57.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.37 132.8 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.611 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -121.41 153.73 37.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.557 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 42.2 tp -50.21 -44.88 53.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.572 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 28.4 t -69.88 -28.32 65.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.514 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -86.25 24.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.639 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 438' ' ' ARG . 2.9 tt -51.52 113.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.585 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.608 ' N ' HD23 ' A' ' 437' ' ' LEU . 94.7 mtt180 -79.52 128.02 32.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.643 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 440' ' ' ARG . 56.0 t0 -80.56 149.74 29.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.523 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.476 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 2.2 ptp180 -54.41 -28.06 41.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.591 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . 0.559 ' NE2' ' O ' ' A' ' 474' ' ' VAL . 34.5 tp60 -68.9 -29.41 67.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.64 -177.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -69.39 -57.57 5.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . 0.616 HG21 HG11 ' A' ' 579' ' ' VAL . 15.7 pt -45.43 -36.49 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.712 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . 0.462 ' O ' HG23 ' A' ' 448' ' ' VAL . 36.1 m-85 -64.75 -45.19 87.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 45.1 tp10 -51.74 -37.63 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.025 -178.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 443' ' ' ILE . 69.5 p -61.61 -47.18 86.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.05 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.5 ' N ' HD23 ' A' ' 447' ' ' LEU . 4.5 mt -57.78 -52.26 66.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 179.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.582 HG22 HG21 ' A' ' 462' ' ' VAL . 1.4 t -70.88 -35.89 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.17 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -66.63 -48.2 70.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.879 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -71.86 -43.16 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . -51.84 -48.98 49.75 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -78.76 -30.07 45.46 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.059 -178.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -78.31 -59.59 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.65 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.78 -41.45 97.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.754 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.585 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 10.3 mt -89.88 -10.75 44.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.719 -178.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 58.5 54.97 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.426 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 4.8 t -94.24 156.4 16.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.66 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -80.86 -50.36 9.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.446 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 553' ' ' HIS . 25.0 ttt180 -142.04 136.52 30.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.596 -178.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.58 131.47 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.455 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.99 141.58 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.774 -176.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.582 HG21 HG22 ' A' ' 448' ' ' VAL . 2.3 t -133.58 130.12 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.419 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 463' ' ' TYR . 18.6 p90 -137.37 159.23 42.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.717 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -101.6 142.23 33.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.437 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . 0.443 ' CE2' HD21 ' A' ' 546' ' ' LEU . 1.5 m-85 -80.59 144.27 32.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.626 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -111.61 -171.07 1.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.483 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -81.26 -15.42 55.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.421 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . 0.645 ' O ' HG23 ' A' ' 470' ' ' VAL . 83.0 m-20 -102.48 27.12 7.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.557 -178.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . 0.488 ' O ' ' CZ ' ' A' ' 496' ' ' ARG . 8.6 m-85 55.24 20.27 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.358 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 468' ' ' ASN . 65.8 t -107.11 126.77 63.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.608 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.431 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -77.72 173.97 54.91 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -177.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . 0.428 ' C ' ' HB2' ' A' ' 463' ' ' TYR . 70.5 m -147.26 106.3 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.593 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.19 83.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.688 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.559 ' O ' ' NE2' ' A' ' 441' ' ' GLN . 33.4 m -78.15 -20.81 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . 0.544 ' HB2' ' NE2' ' A' ' 441' ' ' GLN . . . -154.82 142.71 20.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.378 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -158.56 154.18 26.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.68 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 40.4 m -138.87 128.74 25.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.533 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.52 142.74 37.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.588 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.723 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -59.01 171.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.77 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -73.99 126.26 30.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.482 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 113.03 -11.48 24.69 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . 0.723 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 43.8 m95 -100.87 168.05 9.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 178.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -86.44 127.9 2.91 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.027 2.485 . . . . 0.0 111.911 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -89.49 147.4 24.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.728 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -111.11 -108.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.631 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.54 ' NH2' ' OE1' ' A' ' 441' ' ' GLN . 0.0 OUTLIER 68.63 122.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.723 -178.439 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 486' ' ' ARG . 10.1 t0 79.07 14.56 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -102.85 145.82 29.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 489' ' ' VAL . 33.0 m -104.48 130.58 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.641 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 79.4 mt -99.88 117.08 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.715 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -110.57 92.21 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.274 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.77 ' OD2' ' H28' ' A' ' 600' ' ' VRB . 7.1 m-20 -128.82 75.86 79.57 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.731 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . 0.506 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 37.5 Cg_endo -67.13 30.32 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.708 2.272 . . . . 0.0 112.206 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.759 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -92.82 -80.6 0.37 Allowed 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.074 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . 0.759 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 19.7 p90 -75.3 -52.58 10.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.361 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.661 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 21.2 ptt180 -51.07 -13.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.628 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . 0.468 ' OE1' ' O ' ' A' ' 493' ' ' PRO . 65.0 tt0 -90.89 -58.0 2.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.575 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 494' ' ' CYS . 2.1 m80 -94.19 -41.31 9.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.492 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.462 ' N ' ' O ' ' A' ' 495' ' ' PHE . 9.8 m95 -74.42 14.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.485 -177.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 1.024 HG13 ' H ' ' A' ' 501' ' ' GLU . 3.6 p -65.13 -69.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.517 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 1.024 ' H ' HG13 ' A' ' 500' ' ' VAL . 86.6 tt0 -48.1 -37.94 16.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -58.32 -44.94 88.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.557 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 506' ' ' GLY . 3.7 m-85 -61.69 -40.43 94.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.569 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.63 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.4 mmt85 -50.24 -35.32 26.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 178.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -76.86 -9.39 58.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.661 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 503' ' ' TYR . . . 89.11 35.41 8.16 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -77.44 156.58 31.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.617 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 566' ' ' ILE . 4.7 pt -137.48 155.29 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.45 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . 0.568 ' NE2' ' OG1' ' A' ' 511' ' ' THR . 0.9 OUTLIER -129.97 120.22 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.678 177.514 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.813 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.83 114.25 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.337 -178.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.712 HG21 ' HB3' ' A' ' 517' ' ' ALA . 0.2 OUTLIER -128.76 109.38 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.708 177.338 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . . . . . . . . . 99.6 m -62.19 -56.86 14.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.51 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' A' ' 515' ' ' PHE . 42.9 t0 -110.68 99.85 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.607 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.552 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 35.2 pt -52.12 -9.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.356 -177.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' A' ' 513' ' ' ASP . 24.2 m-85 -82.05 5.97 17.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.401 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -116.98 -16.88 10.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.654 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . 0.712 ' HB3' HG21 ' A' ' 511' ' ' THR . . . -131.25 115.42 16.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . 0.718 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 105.02 44.86 1.44 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.43 33.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.66 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.779 HG21 ' H13' ' A' ' 600' ' ' VRB . 28.0 p -75.92 -173.56 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.456 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -112.51 -62.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.357 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . . . . . . . . . 41.9 t -55.48 -34.69 64.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.257 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.568 ' CA ' ' H12' ' A' ' 600' ' ' VRB . 6.9 t60 -63.49 -54.4 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.448 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 11.9 mt -51.2 -46.78 62.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.555 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -71.94 -9.73 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.749 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -91.82 -29.65 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.625 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 527' ' ' LEU . 11.0 mp -95.27 -30.14 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.641 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.569 ' N ' ' HD2' ' A' ' 529' ' ' PRO . 0.0 OUTLIER -43.31 -57.46 5.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.649 -179.729 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 528' ' ' ARG . 20.7 Cg_endo -61.39 -26.23 81.11 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.804 2.336 . . . . 0.0 112.067 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 21.3 mt -87.62 -11.44 48.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.536 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 531' ' ' LYS . 3.4 ttmm 54.36 28.47 9.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 10.0 t -75.36 124.83 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.58 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 77.5 mtt-85 -127.57 74.95 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.54 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.552 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 170.85 -171.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.225 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.546 ' ND2' ' NE2' ' A' ' 509' ' ' GLN . 15.9 t-20 -174.57 99.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.09 178.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . 0.69 HD13 ' CD1' ' A' ' 561' ' ' TRP . 14.7 tp -132.59 111.61 11.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.16 177.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 537' ' ' VAL . 27.3 m -121.32 120.09 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.181 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.64 HG13 ' O ' ' A' ' 538' ' ' VAL . 14.5 p -117.68 114.73 37.65 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.034 177.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.22 135.15 49.02 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.813 2.342 . . . . 0.0 112.298 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.505 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 72.7 mmm -116.58 108.0 15.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.249 175.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 8.7 t -118.2 127.75 75.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.942 0.401 . . . . 0.0 110.942 -175.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 545' ' ' GLN . 96.7 mt -114.85 139.01 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.936 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 59.6 t0 44.44 32.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.081 0.467 . . . . 0.0 109.799 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 22.0 t0 73.04 26.3 2.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.484 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 542' ' ' ILE . 25.1 mt-30 -129.38 137.78 51.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.593 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . 0.63 ' CB ' HH21 ' A' ' 504' ' ' ARG . 13.3 tp -74.27 94.06 2.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.501 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.587 ' CD1' ' N ' ' A' ' 548' ' ' GLY . 0.0 OUTLIER -86.05 -39.42 16.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.483 -177.016 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . 0.587 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -154.51 -179.47 29.8 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -176.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 43.9 tp -152.29 135.71 15.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.351 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.536 ' CD1' HG22 ' A' ' 462' ' ' VAL . 25.6 tp -106.85 118.48 36.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.664 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.463 HG22 ' NE2' ' A' ' 553' ' ' HIS . 6.6 mt -123.44 134.94 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.582 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -110.1 142.68 41.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.562 ' CE1' ' H32' ' A' ' 600' ' ' VRB . 31.2 m80 -137.86 138.31 38.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.677 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -90.28 112.82 24.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.734 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.522 ' O ' ' CH2' ' A' ' 482' ' ' TRP . . . -81.13 -11.13 59.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.267 -178.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 68.4 p -99.04 -73.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.305 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.71 158.46 49.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -47.68 158.64 0.68 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.879 2.386 . . . . 0.0 112.062 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.58 ' O ' ' CZ3' ' A' ' 561' ' ' TRP . 48.8 ttt85 -152.25 148.35 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . 0.75 ' N ' HE21 ' A' ' 560' ' ' GLN . 0.0 OUTLIER -107.75 108.91 20.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.478 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.813 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.3 OUTLIER -84.95 122.66 29.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.717 179.203 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -73.01 159.76 33.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.378 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -57.1 -33.28 67.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.437 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . 0.525 HG22 HE21 ' A' ' 568' ' ' GLN . 97.0 mt -64.45 -37.98 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.473 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.95 -32.53 73.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.575 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.561 ' CD1' HD11 ' A' ' 536' ' ' LEU . 17.5 mm -67.14 -46.97 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.596 177.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -50.6 -47.81 57.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.528 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.525 HE21 HG22 ' A' ' 564' ' ' ILE . 42.2 mt-30 -60.66 -41.68 95.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.526 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.585 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 5.2 m-85 -57.83 -42.94 85.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.462 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 67.0 m -60.39 -52.08 66.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.304 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.432 ' O ' ' OG ' ' A' ' 574' ' ' SER . 96.1 mt-10 -63.5 -42.9 98.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.354 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 575' ' ' THR . 44.5 tp -61.43 -54.21 46.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.491 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.505 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -63.9 -40.39 96.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . 0.589 ' O ' ' OG ' ' A' ' 577' ' ' SER . 93.9 p -55.32 -37.48 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.647 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 572' ' ' LEU . 0.7 OUTLIER -53.43 -40.21 64.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.674 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 575' ' ' THR . . . -62.49 -47.48 89.08 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . 0.589 ' OG ' ' O ' ' A' ' 574' ' ' SER . 0.1 OUTLIER -51.89 -41.09 61.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.732 0.301 . . . . 0.0 110.691 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 574' ' ' SER . 10.7 mt -54.75 -43.41 72.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.621 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.616 HG11 HG21 ' A' ' 443' ' ' ILE . 61.2 t -66.06 -52.63 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.596 -179.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.515 ' CD1' ' CE2' ' A' ' 547' ' ' PHE . 37.0 mt -62.98 -29.94 71.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -58.19 -41.02 83.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.604 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -68.52 -31.99 71.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.53 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.439 HD12 ' OE1' ' A' ' 588' ' ' GLN . 41.7 tp -61.62 -35.9 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.605 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -69.26 -13.5 62.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.662 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -95.72 128.37 42.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.03 -22.16 66.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.527 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -50.6 -31.69 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.597 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.439 ' OE1' HD12 ' A' ' 583' ' ' LEU . 50.4 tt0 -55.37 -31.75 62.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.588 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 70.1 p -62.3 -19.93 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.562 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 13.4 pt -141.11 62.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -67.96 -34.41 76.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.58 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 23.8 m -58.67 -37.05 75.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.569 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 8.2 tp . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.539 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' VRB . . . . . 0.779 ' H13' HG21 ' A' ' 520' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' MET . . . . . . . . . . . . . 16.4 mmt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . 41.81 27.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -55.42 -71.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 33.2 m -44.63 149.16 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -129.88 158.32 39.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.476 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 53.6 mt -58.79 -34.13 71.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.487 ' C ' ' H ' ' A' ' 437' ' ' LEU . 29.9 t -55.61 -26.54 44.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.608 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -74.16 23.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.563 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.487 ' H ' ' C ' ' A' ' 435' ' ' SER . 54.0 tp -104.08 148.26 26.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 437' ' ' LEU . 48.9 ttt-85 75.58 15.35 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.614 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -87.38 30.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.487 ' O ' ' CG1' ' A' ' 443' ' ' ILE . 3.9 ptp180 -54.96 -29.21 56.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.646 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . 0.597 ' NE2' ' HB2' ' A' ' 475' ' ' ALA . 67.9 tp60 -68.38 -29.85 68.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.65 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -67.09 -56.31 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.627 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . 0.586 HG21 HG11 ' A' ' 579' ' ' VAL . 13.7 pt -48.66 -39.42 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.746 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' PHE . . . . . 0.43 ' N ' HG13 ' A' ' 443' ' ' ILE . 30.7 m-85 -60.26 -48.91 79.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' A' ' 449' ' ' ALA . 97.9 mt-10 -51.61 -37.37 49.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' THR . . . . . . . . . . . . . 61.3 m -60.49 -44.69 95.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.013 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.547 ' N ' HD23 ' A' ' 447' ' ' LEU . 3.4 mt -61.99 -53.73 51.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.151 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.659 HG22 HG21 ' A' ' 462' ' ' VAL . 1.6 t -69.31 -39.19 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.14 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 445' ' ' GLU . . . -66.91 -47.15 72.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.779 -178.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -71.37 -43.36 67.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.872 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . 0.434 ' O ' ' HG ' ' A' ' 455' ' ' LEU . . . -53.14 -46.91 61.8 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' ARG . . . . . 0.418 HH11 ' HB3' ' A' ' 452' ' ' ARG . 4.6 ptm85 -78.94 -26.39 43.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.734 0.302 . . . . 0.0 111.074 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -74.5 -57.06 4.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.696 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.35 -44.48 71.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.718 -177.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.593 ' CD1' ' CZ ' ' A' ' 569' ' ' PHE . 12.6 mt -81.68 -16.69 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.745 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 452' ' ' ARG . . . 60.28 54.4 3.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.382 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 19.3 t -92.21 161.12 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.662 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -86.35 -50.95 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.447 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 553' ' ' HIS . 42.8 ttt180 -142.34 139.46 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 -178.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.23 135.83 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.496 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 16.0 mt -114.88 137.8 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.918 0.389 . . . . 0.0 110.785 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.659 HG21 HG22 ' A' ' 448' ' ' VAL . 2.9 t -133.15 122.82 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.427 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' A' ' 463' ' ' TYR . 26.6 p90 -140.63 141.39 35.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.711 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -82.34 148.59 28.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.395 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 547' ' ' PHE . 2.3 m-85 -82.06 149.35 28.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.666 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 467' ' ' ASP . 42.4 t0 -110.68 -173.99 2.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.534 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . 0.511 ' H ' ' CG ' ' A' ' 466' ' ' ASP . 85.5 m-20 -80.17 -14.89 58.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.482 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . 0.423 ' O ' HG23 ' A' ' 470' ' ' VAL . 94.3 m-20 -104.35 29.33 6.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.449 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' TYR . . . . . 0.562 ' O ' ' NH1' ' A' ' 496' ' ' ARG . 40.7 m-85 55.79 18.26 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.445 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 468' ' ' ASN . 54.3 t -108.96 129.92 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.603 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.407 ' HA3' ' CD1' ' A' ' 463' ' ' TYR . . . -82.87 174.32 52.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 -177.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' THR . . . . . . . . . . . . . 90.0 m -148.05 109.26 4.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 0.0 110.575 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 488' ' ' GLN . 48.6 t -68.01 95.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.697 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 8.8 p -91.86 -21.92 6.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.421 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . 0.597 ' HB2' ' NE2' ' A' ' 441' ' ' GLN . . . -153.68 138.4 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.434 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -155.63 151.29 27.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.668 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 18.7 m -136.21 124.65 23.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.11 143.46 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 -178.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.608 ' HB3' ' CD1' ' A' ' 482' ' ' TRP . . . -60.4 171.24 1.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.757 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -73.2 127.85 33.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.467 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 112.8 -9.63 25.57 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' TRP . . . . . 0.608 ' CD1' ' HB3' ' A' ' 479' ' ' ALA . 32.6 m95 -105.03 167.96 9.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.923 0.392 . . . . 0.0 110.822 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -84.8 129.85 4.15 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.033 2.489 . . . . 0.0 111.912 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -97.69 147.53 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.78 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -114.47 -96.17 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.607 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.555 HH21 ' CD ' ' A' ' 441' ' ' GLN . 0.0 OUTLIER 67.08 31.91 6.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.697 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 487' ' ' ASP . 1.0 OUTLIER 168.0 22.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.521 179.107 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.468 ' O ' HG23 ' A' ' 473' ' ' VAL . 27.0 mt-30 -104.31 144.52 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.551 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 6.0 p -105.41 134.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.62 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 80.3 mt -107.95 130.67 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.669 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . 0.448 ' HA ' HH12 ' A' ' 496' ' ' ARG . 94.1 mt-10 -124.55 94.87 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.333 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.743 ' H ' ' CZ ' ' A' ' 496' ' ' ARG . 9.5 m-20 -131.52 81.77 63.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.681 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' PRO . . . . . 0.574 ' HA ' ' HE ' ' A' ' 496' ' ' ARG . 59.4 Cg_endo -73.96 36.65 0.41 Allowed 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.746 2.297 . . . . 0.0 112.162 -177.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.663 ' SG ' ' N ' ' A' ' 495' ' ' PHE . 0.0 OUTLIER -96.86 -76.76 0.5 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.258 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' PHE . . . . . 0.663 ' N ' ' SG ' ' A' ' 494' ' ' CYS . 35.2 p90 -76.44 -53.78 7.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.918 0.389 . . . . 0.0 110.31 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.743 ' CZ ' ' H ' ' A' ' 492' ' ' ASP . 26.4 ptt180 -50.44 -13.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.633 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' GLU . . . . . 0.545 ' OE1' ' CD2' ' A' ' 498' ' ' HIS . 5.6 tm-20 -91.57 -57.87 2.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.514 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' HIS . . . . . 0.545 ' CD2' ' OE1' ' A' ' 497' ' ' GLU . 2.1 m80 -95.23 -43.73 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.442 -177.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' TRP . . . . . 0.402 ' N ' ' O ' ' A' ' 495' ' ' PHE . 10.9 m95 -70.56 5.18 1.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.539 -177.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 1.029 HG13 ' H ' ' A' ' 501' ' ' GLU . 5.2 p -56.73 -67.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 1.029 ' H ' HG13 ' A' ' 500' ' ' VAL . 86.2 tt0 -47.48 -41.16 20.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.579 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.18 88.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.484 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . 0.448 ' OH ' HG21 ' A' ' 537' ' ' VAL . 3.7 m-85 -61.97 -41.16 97.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.634 HH21 ' CB ' ' A' ' 546' ' ' LEU . 14.5 mmt85 -49.96 -33.96 19.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -78.32 -9.96 59.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.725 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 90.15 35.53 7.54 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -79.24 157.85 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.574 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.579 HD13 HG21 ' A' ' 566' ' ' ILE . 4.7 pt -139.64 158.78 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.477 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' GLN . . . . . 0.593 ' O ' ' NE2' ' A' ' 509' ' ' GLN . 0.6 OUTLIER -132.24 123.36 26.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.665 177.359 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' ALA . . . . . 0.787 ' CB ' ' HE1' ' A' ' 561' ' ' TRP . . . -116.98 112.85 21.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.354 -177.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.56 ' OG1' ' NE2' ' A' ' 509' ' ' GLN . 0.2 OUTLIER -129.46 108.43 10.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.688 177.528 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' THR . . . . . 0.473 HG22 ' HB3' ' A' ' 558' ' ' PRO . 85.5 m -61.75 -61.93 2.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.473 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 515' ' ' PHE . 39.6 t0 -103.71 98.99 8.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.635 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.62 ' CG2' ' O ' ' A' ' 534' ' ' ALA . 44.5 pt -54.4 -10.19 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.365 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' PHE . . . . . 0.443 ' H ' ' C ' ' A' ' 513' ' ' ASP . 16.2 m-85 -74.37 -13.57 60.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.448 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.549 ' HE3' HG22 ' A' ' 511' ' ' THR . 10.8 pttp -100.38 -10.89 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.516 178.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . 0.55 ' CB ' HG21 ' A' ' 511' ' ' THR . . . -132.44 116.1 16.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.665 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . 0.727 ' C ' ' H ' ' A' ' 520' ' ' THR . . . 102.65 44.48 1.8 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.31 32.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 110.667 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.727 ' H ' ' C ' ' A' ' 518' ' ' GLY . 0.2 OUTLIER -77.51 -175.58 3.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.598 ' H ' HG22 ' A' ' 520' ' ' THR . 18.6 pt-20 -108.69 -48.41 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.277 -178.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' CYS . . . . . 0.634 ' SG ' ' N ' ' A' ' 523' ' ' HIS . 9.9 p -70.88 -44.75 65.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.243 -177.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.634 ' N ' ' SG ' ' A' ' 522' ' ' CYS . 50.1 t60 -57.65 -54.35 47.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.419 -178.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.484 HD21 ' O ' ' A' ' 518' ' ' GLY . 23.7 mt -54.65 -46.54 73.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 521' ' ' GLU . 81.1 m-20 -73.04 -10.4 59.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.743 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . 0.444 HE21 ' HB3' ' A' ' 526' ' ' GLN . 3.9 tt0 -90.09 -29.83 18.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.589 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 527' ' ' LEU . 10.0 mp -98.35 -8.3 27.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . 0.585 ' N ' ' CD ' ' A' ' 529' ' ' PRO . 3.6 ttp85 -65.2 -45.5 71.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.6 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 528' ' ' ARG . 11.2 Cg_exo -70.53 -28.51 21.47 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.806 2.337 . . . . 0.0 112.091 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 36.3 mt -84.36 -13.92 50.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.506 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 3.6 tptm 67.1 21.81 10.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.521 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 19.1 t -70.06 114.89 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.594 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' A' ' 534' ' ' ALA . 35.1 mtp180 -125.14 74.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.545 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.62 ' O ' ' CG2' ' A' ' 514' ' ' ILE . . . 173.11 -170.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.192 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.498 ' CG ' HE22 ' A' ' 509' ' ' GLN . 16.2 t-20 -173.59 98.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.991 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 551' ' ' ILE . 20.0 tp -136.99 113.58 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.069 177.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 537' ' ' VAL . 33.9 m -117.85 124.74 73.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.212 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.674 ' O ' HD12 ' A' ' 549' ' ' LEU . 97.3 t -119.73 113.12 34.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.025 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.75 133.91 35.76 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.798 2.332 . . . . 0.0 112.371 -174.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.544 ' SD ' ' HB1' ' A' ' 573' ' ' ALA . 71.7 mmm -116.82 112.43 21.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.207 175.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 3.4 t -120.6 124.55 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.959 -176.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 545' ' ' GLN . 97.6 mt -113.57 139.96 36.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.89 177.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 44.16 34.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.019 0.437 . . . . 0.0 109.853 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 0.5 OUTLIER 70.8 26.36 3.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.44 179.138 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 542' ' ' ILE . 23.3 mt-30 -129.51 138.39 51.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' LEU . . . . . 0.634 ' CB ' HH21 ' A' ' 504' ' ' ARG . 11.1 tp -74.47 94.03 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.529 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.585 ' CE2' HD22 ' A' ' 580' ' ' LEU . 0.0 OUTLIER -86.64 -37.42 18.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.566 -177.558 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . 0.557 ' N ' ' CD1' ' A' ' 547' ' ' PHE . . . -156.49 -177.62 29.82 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -176.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 538' ' ' VAL . 12.0 tp -154.42 137.79 15.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.308 . . . . 0.0 110.304 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.587 ' CD1' HG22 ' A' ' 462' ' ' VAL . 27.0 tp -105.73 117.77 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.694 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.618 HG22 ' NE2' ' A' ' 553' ' ' HIS . 2.1 mt -123.05 134.07 67.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . 0.449 ' C ' ' CG ' ' A' ' 553' ' ' HIS . . . -119.71 147.21 44.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.58 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.618 ' NE2' HG22 ' A' ' 551' ' ' ILE . 1.0 OUTLIER -149.81 149.59 30.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.682 178.55 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.687 ' NE2' HH11 ' A' ' 559' ' ' ARG . 20.8 mp0 -89.96 115.94 27.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.754 177.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -76.1 -13.3 60.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.336 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 16.9 t -95.21 -71.88 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.307 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -143.32 154.73 61.04 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.458 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . 0.473 ' HB3' HG22 ' A' ' 512' ' ' THR . 75.9 Cg_exo -43.69 164.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.949 2.433 . . . . 0.0 112.002 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.687 HH11 ' NE2' ' A' ' 554' ' ' GLN . 19.0 ttt-85 -160.67 152.94 20.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.725 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . 0.406 ' N ' ' CG ' ' A' ' 559' ' ' ARG . 51.5 tp60 -109.25 109.68 20.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.412 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' TRP . . . . . 0.787 ' HE1' ' CB ' ' A' ' 510' ' ' ALA . 0.1 OUTLIER -82.1 118.76 23.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.734 178.595 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -70.35 159.04 34.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.345 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -56.93 -35.56 69.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' ILE . . . . . 0.43 HG22 HE21 ' A' ' 568' ' ' GLN . 97.0 mt -61.64 -40.29 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.443 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.423 ' OE1' HD22 ' A' ' 455' ' ' LEU . 77.5 mm-40 -61.59 -32.73 72.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.55 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.579 HG21 HD13 ' A' ' 508' ' ' ILE . 25.8 mm -65.91 -47.44 85.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 177.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -51.46 -48.62 62.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.43 HE21 HG22 ' A' ' 564' ' ' ILE . 42.5 mt-30 -61.52 -40.78 95.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' PHE . . . . . 0.593 ' CZ ' ' CD1' ' A' ' 455' ' ' LEU . 5.4 m-85 -57.33 -43.05 83.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.389 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . 0.476 ' O ' ' OG ' ' A' ' 574' ' ' SER . 15.4 t -59.6 -50.63 73.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.377 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.01 -42.95 99.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.335 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.44 -54.8 38.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.481 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.544 ' HB1' ' SD ' ' A' ' 540' ' ' MET . . . -66.3 -43.3 86.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.501 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 570' ' ' SER . 75.3 m -56.46 -34.76 67.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.642 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 41.4 m -55.58 -49.54 72.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.722 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -53.68 -44.23 69.1 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.5 -40.58 59.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.676 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.81 -44.28 94.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.662 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.586 HG11 HG21 ' A' ' 443' ' ' ILE . 40.0 t -73.61 -45.47 50.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.638 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.585 HD22 ' CE2' ' A' ' 547' ' ' PHE . 6.2 tp -57.26 -41.57 79.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.639 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -63.94 -39.13 93.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.634 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -59.41 -47.69 84.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.616 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 45.8 mt -72.85 -39.78 66.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.66 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -61.19 -40.76 95.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.759 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -97.04 130.83 44.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.671 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 6.2 tp -168.48 81.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.471 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -58.8 -31.45 68.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.559 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.43 ' CD ' ' N ' ' A' ' 588' ' ' GLN . 26.5 mp0 -74.33 131.84 41.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 44.0 p -111.79 16.18 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.573 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . . . . . . . . . 13.6 pt -140.91 63.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.572 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -65.26 -27.83 68.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 87.8 p -63.88 -34.05 77.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 15.6 tp . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.574 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' VRB . . . . . 0.67 ' H24' ' OD2' ' A' ' 492' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_