data_2n3v_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 2n3v _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 ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 40.6 mt -81.0 -25.55 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 0.0 110.511 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -78.69 -1.27 33.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.571 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -42.17 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -87.6 11.94 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.598 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.431 ' O ' ' OG ' ' A' ' 500' ' ' SER . . . -42.96 -90.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 499' ' ' GLY . 5.4 m -167.29 35.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.573 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 71.2 tttt 62.77 99.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -116.09 156.69 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -84.8 1.14 48.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -83.96 -28.15 27.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.112 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 4.8 t -55.05 -66.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.371 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 8.9 mt -71.64 -23.58 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.11 -12.41 62.85 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.6 mp -124.13 -45.2 2.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 110.722 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.1 -55.5 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.903 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.577 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 8.7 tp -45.12 -60.11 3.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.69 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.5 Cg_endo -48.02 -52.2 8.66 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.414 2.076 . . . . 0.0 111.662 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 85.5 mt -55.89 -14.9 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.601 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -139.61 32.54 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.733 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.481 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -153.71 -37.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.781 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 514' ' ' ALA . 17.9 t -31.95 -58.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.675 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.481 ' HG1' ' NH2' ' B' ' 42' ' ' ARG . 22.7 m -171.41 -45.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.422 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.535 ' O ' ' O ' ' A' ' 518' ' ' LEU . 52.6 t0 -146.01 -76.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.42 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.609 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.2 mm? 55.03 149.43 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.43 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.03 132.0 10.98 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.779 2.319 . . . . 0.0 111.908 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 98.7 mt -74.93 -38.57 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -49.81 -80.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 7.3 m -45.0 -46.26 11.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.42 -32.87 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -58.23 -60.55 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.485 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 25.2 mtt -55.59 -32.52 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.532 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -67.04 -47.09 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.554 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 9.1 t -51.35 -43.06 61.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.48 -42.73 98.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -50.95 -40.1 56.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.609 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.19 -43.61 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -56.25 -72.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.626 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -42.97 -51.32 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.691 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.557 ' C ' ' H ' ' A' ' 535' ' ' VAL . 82.7 t -61.2 -73.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.583 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -73.11 29.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.568 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -59.38 -30.36 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.551 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.14 -79.35 0.87 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 12.9 t -85.32 125.88 33.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.592 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 20.8 p -114.53 160.28 19.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.5 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -135.55 156.48 48.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -71.19 -48.09 33.55 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -43.72 -37.25 2.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 0.0 110.577 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.81 -47.15 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.639 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.5 m -69.19 -56.29 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.628 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 70.3 p -41.27 -56.24 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.592 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 58.8 p -58.18 -51.14 70.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 0.0 110.291 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -26.19 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.32 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.9 tpt -76.01 -48.8 19.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -47.32 -44.63 23.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.42 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -68.56 -35.9 78.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.518 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . 0.453 ' CE1' ' NH1' ' A' ' 553' ' ' ARG . 13.7 t80 -55.56 -43.06 75.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.521 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.456 ' C ' ' H ' ' A' ' 553' ' ' ARG . 24.4 mt -70.59 -46.26 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -50.01 -14.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.456 ' H ' ' C ' ' A' ' 551' ' ' LEU . 29.5 ttp180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.488 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.766 0.317 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 30.0 p-90 -178.17 -9.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.621 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 11.8 p -63.86 -31.08 51.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.561 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -62.42 -64.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -51.57 -44.62 62.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 27.7 tp -55.16 -49.14 72.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.514 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.37 -63.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.629 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 14.1 mt -43.21 -32.88 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -62.56 -60.34 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.592 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 39.9 mt -55.15 -12.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -94.36 -78.2 1.4 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 3.5 tp -42.38 -32.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.548 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.7 tp -44.72 -63.08 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -83.33 -176.67 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 4.5 ptt? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.532 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -65.25 -61.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.526 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 41.4 t -57.0 -40.25 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.559 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -49.62 -42.39 44.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . 0.442 ' OD2' ' NZ ' ' C' ' 6' ' ' LYS . 12.4 t70 -68.47 -38.12 80.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.583 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 44.4 t -58.28 -55.44 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 49.5 mt -55.87 -32.16 63.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.476 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -66.21 -36.48 83.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 590' ' ' ALA . 31.6 m -68.95 -53.98 17.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 94.0 mt -46.55 -39.8 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.573 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' SER . . . . . 0.47 ' HG ' ' N ' ' A' ' 590' ' ' ALA . 25.5 p -75.09 -27.59 59.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.47 ' N ' ' HG ' ' A' ' 589' ' ' SER . . . -57.07 -37.18 71.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.549 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 9.0 pt -102.93 68.02 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 60.7 -168.12 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.598 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.636 ' HD1' ' H ' ' A' ' 593' ' ' HIS . 2.7 p-80 -138.11 77.57 36.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . 0.523 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.06 -158.14 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.963 2.442 . . . . 0.0 111.966 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.464 ' C ' ' H ' ' A' ' 597' ' ' SER . 50.0 mtt -64.39 4.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.523 ' H ' ' C ' ' A' ' 594' ' ' PRO . 38.0 p -60.12 -4.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.581 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 595' ' ' MET . 22.9 p -45.86 -46.74 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -47.68 -45.44 28.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.529 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 14.9 mm -69.75 -46.83 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.584 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -49.66 -59.65 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.8 -66.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 57.1 tp -44.13 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 42.2 t -51.8 -28.16 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.552 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.44 -40.17 96.15 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 8.3 t -64.97 -52.21 57.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.552 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 52.2 t -81.36 128.29 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -105.38 107.56 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -104.2 155.45 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.632 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -116.24 153.32 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.638 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -129.78 106.16 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.365 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -80.76 125.97 30.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.65 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.449 ' C ' ' H ' ' B' ' 9' ' ' THR . 33.5 p -90.11 156.09 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.398 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.73 44.45 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.523 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.449 ' H ' ' C ' ' B' ' 7' ' ' THR . 25.1 p -143.73 -43.98 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.62 -15.42 1.81 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -82.96 139.42 33.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.4 m -118.44 120.94 39.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.479 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -95.53 129.38 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.665 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.7 m -103.87 124.56 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.422 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.6 mt -131.58 141.5 49.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.752 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -91.67 110.64 21.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.346 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 10.7 m -126.38 -173.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.746 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.401 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 7.5 mt-10 -126.32 172.75 5.97 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.183 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.64 -17.6 18.06 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.851 2.367 . . . . 0.0 112.16 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.7 t -97.81 -11.83 22.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.641 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.401 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 36.1 m-20 -55.59 137.1 49.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.525 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.0 p -86.66 139.45 30.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.455 HG23 HD13 ' B' ' 23' ' ' ILE . 32.0 mm -45.77 -50.49 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.23 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -48.61 -40.93 29.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.167 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.585 ' ND2' ' NZ ' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -62.28 -45.49 93.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.222 179.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.22 -52.61 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.23 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -51.46 -38.7 55.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.172 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.43 98.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.272 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.585 ' NZ ' ' ND2' ' B' ' 25' ' ' ASN . 56.7 mttp -61.93 -37.78 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.44 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mt -66.71 -36.77 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.485 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -66.76 -34.7 78.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.46 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -72.71 -26.21 61.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -84.01 -64.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -81.76 -108.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.5 12.34 0.04 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 80.1 mt -87.54 126.06 63.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.648 0.261 . . . . 0.0 110.523 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -72.91 146.33 41.88 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.566 2.177 . . . . 0.0 111.952 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.701 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -45.95 -50.03 10.34 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.817 2.345 . . . . 0.0 112.054 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.88 21.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.703 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.701 ' H ' ' C ' ' B' ' 38' ' ' PRO . 21.1 mt-30 -151.85 48.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.476 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -147.79 148.03 30.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.481 ' NH2' ' HG1' ' A' ' 516' ' ' THR . 54.9 ttt180 -142.1 96.1 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.501 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mt -84.38 127.42 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mt -127.94 145.74 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -145.47 136.12 24.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.05 27.46 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.85 38.57 30.76 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -142.17 118.63 10.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.596 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -72.64 136.31 45.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -92.43 137.11 32.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.558 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -102.6 148.98 24.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.58 178.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.538 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 69.05 -63.8 0.51 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' B' ' 53' ' ' GLY . 4.4 mpt_? -41.61 166.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.602 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.466 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 70.5 p -118.08 166.03 13.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.565 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.85 -3.22 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.466 ' OG ' ' OG1' ' B' ' 55' ' ' THR . 2.1 p -96.69 -21.28 17.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.535 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.98 9.03 11.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.472 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -135.89 11.15 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 55.06 32.46 18.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.714 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.7 mt -82.44 94.62 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.413 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -77.59 -160.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -84.33 160.31 20.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.727 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 60.28 30.78 20.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.809 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.6 m -90.62 128.89 36.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.444 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 28.2 m -91.12 92.36 8.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.534 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.88 126.38 30.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.89 108.23 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.451 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 16.9 tp -87.91 101.15 13.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.09 149.08 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.48 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' B' ' 71' ' ' LEU . 3.7 mm? -90.99 118.9 30.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.586 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.501 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -73.7 99.85 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.475 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 9.7 pt -100.28 158.8 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -114.7 145.65 41.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.622 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.58 105.89 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.496 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . 0.442 ' NZ ' ' OD2' ' A' ' 583' ' ' ASP . 35.2 ttpt -88.75 130.76 35.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.615 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 81.0 p -96.73 141.94 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.46 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.52 -47.94 38.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.496 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 44.0 p -48.63 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.67 74.22 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -167.59 127.55 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.606 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 36.8 m -102.62 129.77 49.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.464 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mt -116.33 129.71 72.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.61 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 10.3 m -93.61 123.45 36.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.414 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 26.6 mt -131.55 129.79 41.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' C' ' 16' ' ' GLU . 27.1 mp0 -88.29 104.21 16.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.302 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' C' ' 1' ' ' MET . 8.7 m -124.21 -177.13 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.493 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 3.7 mt-10 -124.44 175.03 3.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.202 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.15 -22.04 14.95 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.803 2.335 . . . . 0.0 112.171 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 6.9 t -93.84 -6.17 46.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.622 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 19.2 m-20 -61.93 137.85 58.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.532 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.6 p -88.01 140.19 29.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.747 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 40.7 mm -46.21 -47.82 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.305 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -51.95 -40.35 60.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.27 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . 0.681 ' ND2' ' HZ2' ' C' ' 29' ' ' LYS . 0.2 OUTLIER -62.34 -43.48 98.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.127 179.656 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.48 -47.88 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.205 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -54.04 -42.07 68.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.358 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -44.62 93.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.349 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . 0.681 ' HZ2' ' ND2' ' C' ' 25' ' ' ASN . 55.4 mttp -59.2 -41.5 88.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.377 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.6 mt -62.32 -45.02 99.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.383 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -57.48 -37.85 73.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.402 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -68.94 -24.86 64.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.495 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -82.47 -64.38 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.518 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -88.86 -101.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.42 19.22 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.544 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 74.0 mt -87.23 108.71 20.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.643 0.258 . . . . 0.0 110.516 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.75 138.13 11.74 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.651 2.234 . . . . 0.0 111.915 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.592 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.66 -44.83 21.0 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.771 2.314 . . . . 0.0 112.092 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -70.05 28.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.793 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.592 ' H ' ' C ' ' C' ' 38' ' ' PRO . 20.0 mt-30 -155.0 47.43 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 67.3 mt-30 -150.69 98.13 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -88.34 104.4 16.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.394 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 63.1 mt -88.08 137.03 32.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.697 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 mt -140.88 140.64 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.553 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.589 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 53.0 t80 -126.35 -178.87 4.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -38.44 -40.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.16 -92.81 0.08 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -146.32 -142.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.574 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -86.61 138.18 31.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 mt -91.84 132.34 36.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.618 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -98.84 159.75 14.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.611 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.3 OUTLIER -64.98 165.61 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 82.95 -68.72 3.51 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.0 mmt180 -39.6 161.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 110.516 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.518 ' C ' ' H ' ' C' ' 57' ' ' SER . 39.9 p -113.44 163.35 14.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.568 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 70.2 mt -64.24 3.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.637 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.518 ' H ' ' C ' ' C' ' 55' ' ' THR . 3.1 t -95.65 -26.02 15.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.643 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.14 18.87 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.572 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.42 ' H ' ' C ' ' C' ' 57' ' ' SER . 86.5 m-85 -141.47 -9.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' C' ' 59' ' ' TYR . 10.4 t-20 76.17 10.79 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.705 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -58.65 106.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.494 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -84.54 -157.72 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.664 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -87.01 160.64 18.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.729 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 56.72 27.47 12.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.776 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -87.97 134.46 33.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.587 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 7.9 m -89.9 111.82 22.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mt -101.63 121.99 43.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -71.13 142.4 50.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.209 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . 0.495 ' CD2' ' C ' ' C' ' 69' ' ' LEU . 6.3 tt -134.8 121.22 20.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.599 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 16.9 t -119.39 104.3 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.437 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.618 ' H ' ' CD2' ' C' ' 71' ' ' LEU . 1.8 pt? -77.54 147.21 35.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.684 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -84.22 91.59 7.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 24.0 mt 60.65 164.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -46.23 126.11 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.658 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . 0.401 ' HA2' HE22 ' C' ' 40' ' ' GLN . . . -66.6 -83.38 0.11 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 9.0 tp -76.51 -26.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.491 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 498' ' ' ALA . . . -53.66 -51.38 63.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.463 ' O ' ' OG ' ' A' ' 500' ' ' SER . 63.0 m-85 -42.54 -22.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.664 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 496' ' ' ALA . . . -43.64 -35.05 1.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -96.66 57.34 1.34 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 497' ' ' PHE . 12.8 p -174.42 -82.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 110.571 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 45.8 tttp 65.38 33.75 8.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.563 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 7.9 t-20 -90.79 -169.54 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . 0.563 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 68.1 m-20 -89.99 6.28 42.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.418 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -81.57 -33.11 31.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.226 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.35 -60.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.388 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 10.9 mp -75.0 -17.56 60.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.463 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -67.69 -18.14 69.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 19.6 mt -119.61 -43.81 2.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.731 0.301 . . . . 0.0 110.755 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.7 mp -67.39 -56.71 8.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.94 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.625 ' O ' ' N ' ' A' ' 514' ' ' ALA . 7.1 tp -45.07 -60.54 3.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.734 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -47.61 -47.46 18.09 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.474 2.116 . . . . 0.0 111.799 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.47 -17.87 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.67 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -128.75 1.33 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.625 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -131.29 -4.96 3.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 511' ' ' PRO . 3.2 t -45.47 -67.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -178.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 515' ' ' SER . 2.0 m -169.17 -57.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.523 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -159.65 59.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.633 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 95.8 mt -82.75 150.5 62.58 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.71 139.21 7.62 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.816 2.344 . . . . 0.0 111.991 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 62.4 mt -75.19 -4.07 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.504 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -64.78 -41.58 95.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 524' ' ' ALA . 7.4 m -101.36 -55.49 2.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.665 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.412 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -39.99 -28.48 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.694 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 522' ' ' THR . . . -70.63 -64.79 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.515 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 36.3 mtt -46.16 -52.65 11.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -48.51 -41.52 30.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.53 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 523' ' ' ALA . 3.7 m -56.55 -36.2 69.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.487 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 21.8 mt -74.87 -16.86 60.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.568 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -76.76 -49.19 16.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.565 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.74 -35.58 81.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.557 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -61.71 -62.21 1.96 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.531 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -45.46 -44.98 12.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.575 ' C ' ' H ' ' A' ' 535' ' ' VAL . 78.2 t -73.1 -71.55 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.585 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -71.76 30.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.672 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.575 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.5 p -55.29 -40.87 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.582 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . 0.4 ' N ' ' CG1' ' A' ' 535' ' ' VAL . . . -85.1 -87.43 0.92 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 9.0 t -61.45 121.84 13.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 110.588 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 44.7 t -113.14 168.82 9.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.514 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.583 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 18.8 m-20 -133.65 -178.1 4.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.565 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -97.97 -53.12 1.31 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -42.03 -42.44 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.563 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 82.7 mt -54.91 -48.6 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.617 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 89.4 m -62.76 -61.54 2.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.621 ' HG1' ' N ' ' A' ' 545' ' ' SER . 63.6 p -44.93 -50.1 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.472 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.621 ' N ' ' HG1' ' A' ' 544' ' ' THR . 81.9 p -59.6 -42.29 92.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.372 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . 0.401 ' O ' ' CD1' ' A' ' 550' ' ' PHE . 0.3 OUTLIER -66.64 -30.6 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.361 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 76.9 mmm -75.76 -43.69 45.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.479 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' C' ' 72' ' ' ARG . 46.9 m-20 -53.85 -38.34 64.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.512 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -72.56 -41.83 65.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.515 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 546' ' ' ILE . 3.0 m-85 -51.17 -50.39 59.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.474 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.442 ' C ' ' H ' ' A' ' 553' ' ' ARG . 36.5 mt -69.41 -47.16 65.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.497 ' OE2' ' NH1' ' C' ' 72' ' ' ARG . 36.5 mt-10 -77.93 21.73 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.559 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.567 ' NH1' ' CH2' ' A' ' 562' ' ' TRP . 31.3 ttp85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.511 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.819 0.342 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.567 ' CH2' ' NH1' ' A' ' 553' ' ' ARG . 64.9 p-90 -176.78 -38.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.496 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.495 ' N ' ' CD2' ' A' ' 562' ' ' TRP . 11.6 p -64.7 -23.19 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.619 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -67.46 -36.04 80.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.58 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -75.78 -63.21 1.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 10.8 mp -44.21 -41.24 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.4 87.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.518 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . 0.415 ' C ' ' CD1' ' A' ' 568' ' ' LEU . 0.2 OUTLIER -59.16 -70.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.472 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -44.77 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.624 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 56.6 tp -43.32 -24.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -82.7 -78.86 1.03 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.4 tt -46.76 -20.35 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.621 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.413 ' N ' ' C ' ' A' ' 571' ' ' GLY . 19.5 tp -44.89 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.508 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -82.35 121.85 27.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.527 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 48.2 mtm . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.6 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.769 0.319 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.405 ' N ' HE21 ' A' ' 580' ' ' GLN . 7.1 mm-40 -50.76 -54.34 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 98.2 t -55.86 -47.13 80.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -45.75 -39.49 8.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.48 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.26 -43.54 81.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.504 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 54.0 t -54.04 -55.5 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 19.2 mt -50.72 -44.74 58.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.496 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -52.7 -37.95 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.523 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 22.8 m -62.08 -46.49 88.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.409 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 58.7 mt -51.61 -36.62 18.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.498 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 21.6 p -83.96 -28.54 27.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -57.12 -51.07 70.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 13.4 tt -81.25 154.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.553 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.531 ' O ' ' ND1' ' A' ' 593' ' ' HIS . 30.9 tt0 -64.49 94.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.591 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.531 ' ND1' ' O ' ' A' ' 592' ' ' GLU . 9.8 m-70 -160.79 73.57 2.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.477 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -9.18 19.97 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.982 2.455 . . . . 0.0 111.956 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.474 ' C ' ' H ' ' A' ' 597' ' ' SER . 45.3 mtt -78.0 -45.12 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 68.1 p -60.82 -3.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.546 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 595' ' ' MET . 15.7 t -48.82 -30.22 5.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.543 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.9 -48.46 79.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.8 -36.56 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -56.41 -38.62 71.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 84.5 t -69.63 -40.94 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.495 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 12.5 tp -56.23 -75.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 17.3 t -52.27 -36.16 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -59.34 -48.2 87.15 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 18.6 p -54.95 -41.27 70.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 74.1 m -84.41 173.18 11.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.535 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.586 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.525 ' N ' ' O ' ' B' ' 17' ' ' VAL . 28.8 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -88.12 115.86 25.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.621 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -118.64 155.7 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.636 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -114.61 147.01 40.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.866 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -125.31 101.14 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.19 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -87.92 134.69 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.753 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.505 ' C ' ' H ' ' B' ' 9' ' ' THR . 1.5 p -111.19 167.6 10.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.452 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.23 40.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.493 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.505 ' H ' ' C ' ' B' ' 7' ' ' THR . 22.3 p -146.07 15.25 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.47 -15.79 4.33 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' B' ' 9' ' ' THR . 72.6 tttt -69.56 133.57 47.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.677 0.275 . . . . 0.0 110.615 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -125.71 109.58 12.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -90.37 127.42 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.683 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -99.15 120.72 39.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.302 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.7 mt -128.65 139.12 52.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.803 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -88.37 124.65 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.296 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.3 m -143.8 -164.76 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.707 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' B' ' 21' ' ' ASP . 23.0 mt-10 -149.15 152.56 36.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.461 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.1 -49.61 9.79 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.991 2.461 . . . . 0.0 112.25 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.487 ' H ' ' HG ' ' B' ' 20' ' ' SER . 0.9 OUTLIER -56.83 -42.76 80.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.932 -179.689 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' B' ' 18' ' ' GLU . 6.7 m-20 -35.83 142.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.79 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.7 p -97.26 146.66 24.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.6 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 20.0 mm -47.59 -54.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.365 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -45.95 -42.93 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.364 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.98 -47.51 85.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.249 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.4 t -55.98 -52.21 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.228 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -51.67 -31.87 27.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.16 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.16 -43.13 78.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.301 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -62.19 -37.54 85.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.399 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 6.3 mt -69.36 -40.37 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.378 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -61.01 -35.9 78.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.495 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -72.01 -35.06 69.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.516 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -71.12 -62.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.472 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -88.5 -108.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.498 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.2 9.59 0.05 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 mt -83.24 118.11 70.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.704 0.288 . . . . 0.0 110.499 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -72.62 144.89 40.72 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.613 2.209 . . . . 0.0 111.973 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.687 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.16 -49.93 10.73 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.782 2.321 . . . . 0.0 111.909 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -59.35 9.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.687 ' H ' ' C ' ' B' ' 38' ' ' PRO . 78.4 mm-40 -143.44 54.7 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -151.0 164.44 36.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.58 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.427 ' HE ' ' CD ' ' B' ' 49' ' ' GLN . 58.9 ttt180 -157.29 90.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.535 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.1 mt -78.87 116.63 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.9 mt -118.5 138.41 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -136.46 132.53 35.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.475 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.24 17.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.447 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.24 -11.77 68.75 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.523 ' HZ1' ' C ' ' C' ' 75' ' ' GLY . 31.0 mttm -88.0 120.24 29.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.527 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.427 ' CD ' ' HE ' ' B' ' 42' ' ' ARG . 47.2 tt0 -75.43 125.82 29.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.564 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 20.3 mt -82.76 128.96 34.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -92.41 159.73 15.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.572 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.73 161.67 30.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.555 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 83.75 -57.21 5.06 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' B' ' 53' ' ' GLY . 13.9 mmt180 -43.9 169.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 0.0 110.624 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 56.1 p -115.39 160.9 19.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.711 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.2 -8.91 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.7 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -91.42 -13.83 31.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.641 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -86.3 7.59 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -133.72 5.37 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.549 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 65.11 11.61 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.712 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.91 96.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.422 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -81.09 -171.05 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.693 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -74.37 158.63 33.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 57.53 40.53 26.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.885 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 73.6 m -94.14 154.03 17.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.296 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -109.7 92.33 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.566 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.71 121.13 24.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.6 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -79.78 103.37 9.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.1 tp -80.73 91.7 5.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.465 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -95.7 154.31 3.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.612 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.518 ' CD2' ' N ' ' B' ' 71' ' ' LEU . 3.9 mm? -94.52 139.46 31.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.491 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.523 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.538 ' N ' ' O ' ' C' ' 17' ' ' VAL . 29.4 ttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -121.48 115.68 23.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 pt -116.77 154.96 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.743 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -110.25 141.84 42.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.506 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 69.6 t -119.88 114.0 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.433 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -94.39 134.29 37.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.575 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 59.2 p -94.54 142.27 27.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.535 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.54 -24.69 33.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.517 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 75.9 p -71.32 -64.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.43 72.73 0.01 OUTLIER Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -172.83 132.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.612 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -104.27 152.72 21.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.483 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mt -137.03 130.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.703 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 9.3 m -93.27 121.06 34.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.304 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.3 mt -123.91 128.51 49.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -89.13 118.5 28.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.152 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' C' ' 1' ' ' MET . 10.3 m -144.6 -174.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.56 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 4.1 mt-10 -129.5 145.21 55.96 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.375 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.26 -15.66 0.19 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.848 2.366 . . . . 0.0 112.362 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 8.5 t -96.57 -19.35 19.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.312 . . . . 0.0 110.826 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.56 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 1.0 OUTLIER -43.09 136.36 2.86 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 172.174 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.0 p -89.68 141.52 28.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.49 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . 0.403 HD13 HG21 ' C' ' 23' ' ' ILE . 32.1 mm -42.66 -57.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.621 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -46.8 -40.15 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -62.02 -43.34 99.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.329 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.1 -47.57 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.161 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' C' ' 41' ' ' GLN . 74.3 mttt -53.19 -41.76 65.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.214 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.71 84.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.34 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -55.29 -39.07 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.299 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.8 mt -66.37 -42.42 90.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.391 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -57.58 -36.72 72.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.44 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -71.07 -35.27 71.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -68.76 -56.27 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.548 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -96.65 -82.31 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.82 32.37 0.03 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 30.4 mt -103.0 114.14 65.43 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.656 0.265 . . . . 0.0 110.528 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -46.31 136.27 15.05 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.6 2.2 . . . . 0.0 111.734 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.23 -63.42 0.33 Allowed 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.793 2.329 . . . . 0.0 112.006 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -39.64 -35.35 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -94.97 59.84 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.707 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 59.9 mt-30 -157.02 134.11 10.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.584 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -126.96 108.27 10.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.427 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 27.4 mt -99.44 120.87 40.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.759 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . 0.46 HD12 HG21 ' C' ' 44' ' ' ILE . 90.5 mt -122.12 129.51 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.406 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.59 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 52.6 t80 -117.12 165.84 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.555 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . 0.59 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -40.14 -40.85 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.75 -67.63 2.0 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -173.7 -160.7 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.501 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -80.23 128.34 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.5 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . 0.443 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 10.8 mt -79.85 115.66 19.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.557 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -82.96 158.99 22.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -76.16 104.8 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.546 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 144.95 -67.47 0.42 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' C' ' 53' ' ' GLY . 10.0 mmt85 -44.63 173.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.725 0.297 . . . . 0.0 110.597 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.491 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 72.9 p -115.68 172.4 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.536 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 56.2 mt -70.91 2.49 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.781 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.491 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 23.1 p -93.42 -27.46 16.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.789 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.07 -1.39 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.679 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.443 ' CD2' ' CD2' ' C' ' 50' ' ' LEU . 61.1 m-85 -122.15 13.45 10.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.527 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 47.63 37.56 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.709 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 70.0 mt -84.82 98.17 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.487 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -79.39 -159.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -86.77 159.77 19.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.689 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 57.29 33.51 23.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.712 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m -97.74 131.74 43.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.609 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 9.2 m -91.91 128.57 37.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.34 172.06 7.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.606 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -119.57 102.31 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.394 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 46.6 tp -93.3 132.61 37.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 9.5 t -134.16 133.97 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.518 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' C' ' 71' ' ' LEU . 7.2 mp -92.93 128.41 38.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.491 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . 0.497 ' NH1' ' OE2' ' A' ' 552' ' ' GLU . 8.3 ttt85 -41.96 -39.57 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.366 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 56.0 tp 179.74 149.11 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.363 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -41.18 131.11 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.521 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . 0.523 ' C ' ' HZ1' ' B' ' 48' ' ' LYS . . . -173.87 -84.55 0.06 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.656 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.705 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 25.0 pt -84.58 13.62 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 110.655 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -93.96 -60.26 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.576 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -85.45 23.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -52.49 -67.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -91.79 88.43 1.36 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 55.2 m -160.07 -54.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.541 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp 50.15 74.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.587 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.457 ' C ' ' H ' ' A' ' 504' ' ' GLU . 4.6 m-20 -122.93 149.12 44.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.51 -2.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . 0.457 ' H ' ' C ' ' A' ' 502' ' ' ASN . 9.6 tp10 -84.66 -48.55 9.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.243 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 23.4 t -51.8 -57.35 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.35 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.4 mt -70.07 -25.26 63.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.616 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.84 -18.1 61.52 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.7 mp -117.83 -39.04 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.737 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 510' ' ' LEU . 7.7 mp -68.18 -65.28 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.946 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.587 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 56.2 tp -38.98 -60.75 1.08 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.958 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.587 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.92 -59.8 1.11 Allowed 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.419 2.079 . . . . 0.0 111.644 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 83.7 mt -53.36 -9.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.548 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 511' ' ' PRO . . . -130.48 13.78 5.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.794 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -172.49 28.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 511' ' ' PRO . 87.7 p -70.49 -60.17 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.36 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 515' ' ' SER . 1.3 m -170.74 -45.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.529 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.523 ' O ' ' NH2' ' B' ' 72' ' ' ARG . 27.4 t70 -171.31 27.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.641 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.471 ' CD1' ' OG ' ' A' ' 515' ' ' SER . 29.5 mt -53.97 154.47 7.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.435 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -43.82 159.78 0.09 OUTLIER 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.847 2.365 . . . . 0.0 112.049 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 5.5 mt -83.76 -35.5 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -45.48 -81.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.761 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 7.9 t -44.98 -47.79 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.787 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 524' ' ' ALA . . . -55.2 -70.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.649 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 523' ' ' ALA . . . -35.52 -68.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.743 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 22.1 mmt -47.67 -54.39 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.679 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 528' ' ' LEU . . . -50.95 -68.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.576 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' SER . . . . . 0.5 ' H ' ' HG ' ' A' ' 527' ' ' SER . 4.0 m -40.76 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.686 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 526' ' ' ALA . 1.1 tt -70.31 -51.01 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -68.3 -42.28 79.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.7 tt -49.62 -61.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.568 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 533' ' ' VAL . . . -59.14 -47.88 83.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . 0.411 ' ND1' ' O ' ' A' ' 532' ' ' HIS . 37.5 t-80 -40.46 -29.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.686 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 531' ' ' ALA . 53.3 t -97.17 -46.0 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -87.23 34.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.583 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -47.74 -49.48 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.758 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 537' ' ' THR . . . -115.95 -25.69 3.52 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.472 ' H ' ' HG1' ' A' ' 537' ' ' THR . 0.2 OUTLIER -53.38 -166.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 110.619 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 537' ' ' THR . 71.0 m -38.69 124.24 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.592 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.513 ' ND2' ' CE1' ' A' ' 574' ' ' TYR . 49.8 t-20 -140.95 36.58 1.76 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.633 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -99.5 -72.31 1.02 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.33 -40.54 94.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 52.8 mt -50.99 -43.68 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 17.0 m -64.05 -62.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.49 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 69.0 p -45.36 -34.75 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.587 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' A' ' 546' ' ' ILE . 0.1 OUTLIER -74.13 -58.95 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.153 179.686 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . 0.443 ' N ' ' OG ' ' A' ' 545' ' ' SER . 0.1 OUTLIER -47.42 -28.17 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.317 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.0 tpt -72.5 -47.54 47.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.459 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -48.62 -42.5 34.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.312 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.412 ' O ' ' ND2' ' A' ' 549' ' ' ASN . 0.6 OUTLIER -66.86 -43.05 84.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.558 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -52.67 -55.48 22.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.404 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 54.2 mt -50.37 -64.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 552' ' ' GLU . 0.3 OUTLIER -55.81 -38.13 69.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.397 179.758 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 . . . . . 0 N--CA 1.466 0.333 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -173.576 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.788 0.327 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.432 ' O ' ' N ' ' A' ' 564' ' ' ARG . 27.1 t90 -160.88 -67.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.522 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 92.5 t -44.29 -21.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.604 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 562' ' ' TRP . 34.9 ttt85 -67.39 -75.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -50.79 -37.81 44.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.56 -70.38 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -46.63 -40.07 12.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.47 -62.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.504 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -45.27 -70.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.562 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 52.9 tp -45.77 -24.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -82.75 -77.58 1.08 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 14.4 tt -47.95 -22.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.494 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 21.0 tp -43.83 -56.66 3.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.53 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.513 ' CE1' ' ND2' ' A' ' 539' ' ' ASN . 71.9 m-85 -90.14 128.98 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.561 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 50.6 mtt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.621 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.795 0.331 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.434 ' OE1' ' OH ' ' A' ' 574' ' ' TYR . 9.5 tt0 -51.04 -49.81 59.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.561 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 72.3 t -55.7 -44.41 76.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.461 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -49.72 -33.57 16.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.519 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -74.21 -37.32 63.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.498 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.85 -50.95 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.463 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 43.8 mt -59.14 -35.93 74.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.415 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -60.26 -41.64 93.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.484 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 590' ' ' ALA . 4.8 m -59.22 -57.08 14.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.439 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 61.9 mt -45.9 -34.08 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.364 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 4.1 t -77.91 -34.08 51.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.394 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -52.05 -31.41 29.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.456 ' O ' ' O ' ' A' ' 592' ' ' GLU . 7.6 pt -114.18 141.4 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.523 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' A' ' 591' ' ' ILE . 93.0 mt-10 -49.73 -103.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.656 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 66.7 m80 42.31 75.19 0.65 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.625 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.29 16.83 0.67 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.915 2.41 . . . . 0.0 111.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 28.7 mtt -85.26 -39.85 17.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.626 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 17.3 p -75.2 -3.31 32.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 28.9 t -42.62 -26.74 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.14 -58.04 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.623 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.22 -26.15 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -67.86 -46.34 72.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 64.4 t -68.11 -56.71 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.554 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 29.7 mt -47.08 -72.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 85.4 t -53.95 -30.87 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.464 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.71 -39.97 98.15 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 47.1 t -69.26 -68.54 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.332 . . . . 0.0 110.6 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.31 120.0 25.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.623 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.626 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttp . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -89.73 124.92 35.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.61 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 7.1 pt -127.98 144.12 38.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.588 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.438 ' CE1' ' OG1' ' B' ' 14' ' ' THR . 79.0 m-85 -99.54 142.22 31.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.746 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.6 t -126.24 111.92 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.375 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -90.73 125.09 35.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.432 ' C ' ' H ' ' B' ' 9' ' ' THR . 68.9 p -84.24 145.91 28.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.455 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 tp -71.57 47.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.432 ' H ' ' C ' ' B' ' 7' ' ' THR . 45.6 p -147.68 -46.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.0 63.43 0.03 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -170.18 127.62 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.808 0.337 . . . . 0.0 110.582 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -100.74 157.23 16.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.52 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -142.2 132.31 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.438 ' OG1' ' CE1' ' B' ' 4' ' ' PHE . 66.4 m -99.4 129.08 45.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.414 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.9 mt -129.19 133.91 47.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -91.1 96.9 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.43 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.3 m -119.84 -165.49 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.67 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.468 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 31.5 mt-10 -149.04 148.59 27.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.251 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.77 -17.4 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.83 2.353 . . . . 0.0 112.182 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.12 17.27 18.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.468 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 1.4 m-20 -93.22 131.33 38.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.488 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.421 ' O ' ' N ' ' B' ' 25' ' ' ASN . 2.4 p -80.23 134.92 36.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.452 HG22 HD11 ' B' ' 23' ' ' ILE . 28.5 mm -41.3 -53.23 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.375 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -49.29 -39.05 29.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.367 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.542 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 8.0 t-20 -63.12 -43.0 99.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.33 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 26.3 t -61.71 -52.06 65.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.197 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -50.31 -40.25 48.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.268 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.99 90.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.261 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.542 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 53.2 mttp -56.31 -39.22 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.274 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.7 mt -66.47 -43.77 90.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.425 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.6 -27.98 65.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.522 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -80.6 -28.38 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.574 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -78.49 -58.67 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.562 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -91.47 -102.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.615 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.71 7.72 0.03 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.3 mt -82.54 125.89 75.01 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.608 0.242 . . . . 0.0 110.568 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.92 145.7 36.36 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.734 2.289 . . . . 0.0 111.971 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.509 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.0 -65.55 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.871 2.381 . . . . 0.0 111.999 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' B' ' 38' ' ' PRO . 32.8 t0 -37.21 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.746 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' B' ' 38' ' ' PRO . 76.9 mm-40 -105.44 59.93 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -156.16 159.52 39.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.415 ' NE ' ' O ' ' B' ' 72' ' ' ARG . 23.5 ttm180 -160.36 94.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 mt -79.58 120.3 23.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.662 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 mt -120.82 130.51 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.494 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -121.97 117.82 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.538 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.07 26.93 5.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.19 -14.48 65.12 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.483 ' NZ ' ' O ' ' C' ' 75' ' ' GLY . 41.3 mttm -79.87 105.14 10.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 0.0 110.61 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.421 ' OE1' ' O ' ' B' ' 50' ' ' LEU . 0.5 OUTLIER -71.67 120.67 17.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.458 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.472 ' CD2' ' CD2' ' B' ' 59' ' ' TYR . 20.8 mt -81.69 115.18 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.641 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -81.8 157.92 24.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.479 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -70.65 145.14 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.525 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 103.19 -67.38 0.33 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' B' ' 53' ' ' GLY . 3.0 mmt-85 -44.22 170.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.6 p -112.47 163.96 13.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 56.7 mt -61.81 -18.06 58.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.629 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.555 ' C ' ' H ' ' B' ' 59' ' ' TYR . 11.0 t -72.06 -34.99 69.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.606 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.44 ' C ' ' CD1' ' B' ' 59' ' ' TYR . 6.6 m-20 -73.16 28.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.584 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.555 ' H ' ' C ' ' B' ' 57' ' ' SER . 81.4 m-85 -151.79 -4.52 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.525 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 65.29 23.46 12.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.0 94.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.446 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.28 -159.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.657 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -83.41 160.18 21.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.737 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 58.5 35.35 24.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.736 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.3 m -89.66 134.99 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.478 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -94.16 95.32 8.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.497 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.07 126.19 32.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.62 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -84.78 100.02 11.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.423 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.9 97.89 8.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 t -96.39 143.26 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.501 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 17.5 mt -96.98 81.08 3.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.565 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.523 ' NH2' ' O ' ' A' ' 517' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.543 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -104.48 103.17 12.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.9 pt -94.97 158.86 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . 0.459 ' CE2' ' OG1' ' C' ' 14' ' ' THR . 15.9 m-85 -120.29 145.15 47.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.776 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 53.5 t -121.79 108.16 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.365 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -89.79 120.64 31.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.583 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 43.1 p -77.78 156.42 30.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.54 -38.71 87.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.515 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' THR . . . . . 0.598 ' HG1' ' H ' ' C' ' 10' ' ' GLY . 43.3 p -60.32 -68.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.649 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . 0.598 ' H ' ' HG1' ' C' ' 9' ' ' THR . . . 165.0 83.09 0.05 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -172.5 165.69 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.506 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 8.2 m -141.35 130.89 23.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -118.49 128.27 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.662 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' THR . . . . . 0.459 ' OG1' ' CE2' ' C' ' 4' ' ' PHE . 7.1 m -101.95 125.5 48.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.423 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -128.96 139.45 52.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.732 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -88.07 94.29 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.398 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -114.37 -179.57 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.801 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.439 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.2 mt-10 -127.14 174.42 4.27 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.204 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.21 -22.11 14.79 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.761 2.308 . . . . 0.0 112.029 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 2.1 p -91.32 -9.51 44.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.53 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 18.9 m-20 -61.64 137.33 58.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.574 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 71.4 p -89.94 142.08 28.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.586 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mm -43.7 -54.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.423 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -45.23 -45.68 11.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.93 -45.87 89.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.36 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.61 -53.04 46.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.247 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -50.43 -36.27 32.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.16 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.41 94.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.397 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -61.57 -37.64 84.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.522 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.3 mt -67.3 -41.3 86.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.439 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.68 -38.65 85.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.57 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -71.58 -23.37 61.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -80.89 -58.31 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -96.8 -86.36 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.58 20.06 0.03 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.532 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 54.4 mt -87.37 116.52 66.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.71 0.29 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.88 135.37 17.66 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.654 2.236 . . . . 0.0 111.818 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.7 -61.9 0.53 Allowed 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.684 2.256 . . . . 0.0 112.008 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -39.66 -34.17 0.23 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.765 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -99.75 63.94 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.714 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 74.5 mt-30 -151.9 89.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.639 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -88.5 108.83 19.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.333 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -102.63 131.64 49.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . 0.44 HD13 HG21 ' C' ' 44' ' ' ILE . 41.8 mt -129.29 132.23 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.245 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' C' ' 47' ' ' GLY . 50.1 t80 -101.45 70.21 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.755 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' C' ' 45' ' ' PHE . . . 31.31 35.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.782 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -160.16 -55.74 0.01 OUTLIER Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 50.7 mttm -155.74 176.85 12.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.643 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -86.59 157.44 19.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.619 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 19.6 mt -100.16 116.64 32.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.515 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -81.79 148.89 28.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.544 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -66.03 147.95 52.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.579 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 97.88 -61.32 0.97 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . 0.629 ' HE ' ' N ' ' C' ' 54' ' ' ARG . 4.7 mmp_? -45.11 171.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 0.0 110.567 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.45 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 33.9 p -115.84 165.47 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 83.9 mt -69.68 -4.71 20.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.652 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.45 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 5.4 p -91.89 -16.52 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.54 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.49 -10.46 59.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.57 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -110.87 6.66 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.55 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 60.02 25.46 14.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.625 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.9 mt -73.11 117.37 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.442 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -95.09 -161.25 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -85.26 154.8 21.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 60.92 27.05 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.71 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -92.66 132.46 36.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -82.26 152.35 26.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.597 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mt -139.6 114.68 9.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.586 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -67.6 116.2 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.513 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 38.0 tp -106.05 128.76 54.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.617 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 t -133.03 119.52 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.441 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.85 166.89 12.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -100.51 83.99 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.402 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 10.1 mp 56.75 170.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.477 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -40.14 156.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.486 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . 0.483 ' O ' ' NZ ' ' B' ' 48' ' ' LYS . . . -153.63 -123.9 0.95 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' ' 496' ' ' ALA . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 25.6 pt -58.09 -4.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 110.602 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -76.31 -54.01 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.51 ' C ' ' H ' ' A' ' 499' ' ' GLY . 42.8 m-85 -46.51 -35.4 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.526 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -51.81 -10.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -55.14 -60.68 8.38 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 31.2 t -158.86 -108.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.585 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -170.01 76.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.523 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -80.38 -175.45 5.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.625 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -103.75 2.29 32.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.554 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.28 -38.38 20.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.111 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.7 t -43.11 -59.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.408 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.417 ' C ' ' H ' ' A' ' 508' ' ' LEU . 15.1 mt -73.71 -31.14 63.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.539 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -71.21 5.96 8.21 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' A' ' 506' ' ' LEU . 5.6 tp -136.08 -47.03 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 110.765 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.08 -53.97 17.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.901 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 514' ' ' ALA . 0.7 OUTLIER -48.26 -60.44 4.41 Favored Pre-proline 0 C--N 1.33 -0.273 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.535 -179.795 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.41 -51.74 8.36 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.56 2.173 . . . . 0.0 111.754 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.29 -12.8 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.483 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -141.14 30.73 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -155.06 -35.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.724 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 514' ' ' ALA . 87.3 p -30.42 -61.79 0.16 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.655 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 515' ' ' SER . 54.1 m -170.04 -52.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.543 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.435 ' O ' ' O ' ' A' ' 518' ' ' LEU . 57.9 m-20 -144.51 -84.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 517' ' ' ASP . 16.4 mt 59.18 148.23 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.434 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.74 123.08 4.53 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.828 2.352 . . . . 0.0 111.904 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 62.1 mt -72.39 -21.93 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.526 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -58.96 -48.73 80.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.558 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 68.4 p -79.66 -44.57 20.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.604 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -59.68 -10.95 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.553 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.39 -62.23 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 66.7 mtt -62.23 -41.63 98.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -54.85 -57.22 12.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 87.8 p -52.76 -33.92 50.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -62.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.474 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -51.38 -25.36 6.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.48 -63.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -57.72 -44.11 85.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.459 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . 0.499 ' HD1' ' C ' ' A' ' 532' ' ' HIS . 6.1 t-80 -45.82 -40.95 10.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.527 ' C ' ' H ' ' A' ' 535' ' ' VAL . 90.5 t -78.64 -58.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.557 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -72.08 16.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.561 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.527 ' H ' ' C ' ' A' ' 533' ' ' VAL . 10.8 p -53.16 -42.72 47.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.547 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . 0.439 ' N ' ' CG1' ' A' ' 535' ' ' VAL . . . -70.83 -69.86 1.31 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.537 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 2.2 t -64.24 -170.79 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.828 0.347 . . . . 0.0 110.559 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.537 ' N ' ' OG1' ' A' ' 537' ' ' THR . 42.8 t -166.48 157.32 12.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 41.0 m-80 -161.61 141.53 10.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.24 -42.99 93.91 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -42.66 -48.36 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.579 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 38.3 mt -59.9 -43.13 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.523 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 51.9 m -62.53 -49.94 73.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 548' ' ' ASP . 72.2 p -57.74 -43.46 85.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.435 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 24.2 p -63.95 -42.5 97.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.16 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.81 -29.84 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.301 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.4 tpt -70.92 -38.52 72.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.429 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 544' ' ' THR . 5.8 m-20 -63.2 -41.13 99.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.41 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -63.46 -36.24 83.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.581 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.07 -54.47 45.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.3 -36.93 82.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.691 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -82.29 29.37 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.553 HH12 ' CG ' ' A' ' 595' ' ' MET . 32.5 ptt180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.539 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.771 0.32 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.408 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 9.4 p-90 -172.84 -19.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.7 p -72.92 -18.46 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.534 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -60.11 -66.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.535 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -63.95 -52.3 60.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.3 tp -45.93 -56.43 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -57.96 -53.0 63.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.495 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 25.9 tp -45.32 -54.29 7.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.48 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -46.87 -62.47 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 54.3 tp -50.34 -27.9 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.503 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -76.12 -76.74 0.79 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . 0.404 ' C ' ' N ' ' A' ' 574' ' ' TYR . 8.6 tp -43.77 -33.37 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.348 . . . . 0.0 110.566 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.9 tp -44.31 -23.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.404 ' N ' ' C ' ' A' ' 572' ' ' ILE . 75.1 m-85 -125.36 125.82 44.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.2 mtt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.871 0.367 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.59 -55.08 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 89.8 t -53.93 -49.22 60.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.604 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -45.07 -38.23 4.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.587 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -70.35 -43.33 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.584 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 92.3 t -52.95 -58.91 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.497 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 585' ' ' LEU . 10.7 mp -53.42 -46.87 69.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.473 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -48.64 -28.99 3.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.435 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 14.6 m -76.66 -41.59 45.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.513 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.19 -34.43 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.548 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.1 m -77.02 -33.99 57.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' C' ' 47' ' ' GLY . . . -58.45 -61.4 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.563 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 18.8 tt -80.58 165.4 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -40.46 144.46 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.683 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.502 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 6.9 p-80 -165.73 74.65 1.31 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 -66.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 123.036 2.491 . . . . 0.0 111.94 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.553 ' CG ' HH12 ' A' ' 553' ' ' ARG . 10.6 ptp -83.25 -42.5 17.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.565 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.7 p -49.33 -14.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.548 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' SER . . . . . 0.456 ' H ' ' C ' ' A' ' 595' ' ' MET . 94.3 p -55.61 -24.4 33.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.569 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.38 -33.75 76.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.527 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 13.4 mt -77.26 -56.34 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.413 ' O ' ' OE2' ' A' ' 600' ' ' GLU . 3.1 tm-20 -45.71 -40.25 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.632 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 70.4 t -70.48 -43.95 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.568 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.01 -74.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.57 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 76.0 t -52.59 -19.9 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.553 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.26 -54.87 32.83 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 68.7 m -72.41 -58.03 3.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.578 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 27.4 p -79.03 121.25 24.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.608 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.493 ' N ' ' O ' ' B' ' 17' ' ' VAL . 22.8 ttp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -93.66 117.85 30.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.698 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.2 pt -126.42 153.64 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.561 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -111.2 154.39 24.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 54.1 t -131.35 103.51 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.193 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -86.3 121.11 28.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.681 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.0 p -89.02 151.37 22.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.352 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tp -70.78 50.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.5 p -146.33 -37.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.461 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.96 -12.75 3.62 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -87.19 137.28 32.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.601 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -123.51 124.79 43.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -96.29 173.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.687 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.5 m -143.94 101.62 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.337 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.436 ' CD1' ' N ' ' B' ' 15' ' ' LEU . 8.6 mp -105.17 137.97 42.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.855 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -94.7 83.04 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.267 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.9 m -99.78 -165.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.56 ' C ' ' H ' ' B' ' 20' ' ' SER . 38.6 mt-10 -145.68 145.22 24.8 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.3 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.68 -7.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.826 2.351 . . . . 0.0 112.277 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.56 ' H ' ' C ' ' B' ' 18' ' ' GLU . 1.4 p -97.74 -39.85 8.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.791 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.419 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 5.9 m-20 -41.23 146.13 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.676 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.9 p -93.73 145.41 24.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.558 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.7 mm -47.0 -53.33 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.533 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -48.24 -44.63 33.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.442 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -59.2 -40.14 84.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.355 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.14 -47.33 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.272 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -54.92 -35.84 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.347 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.14 -50.38 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.45 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -55.33 -34.61 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.492 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 14.8 mt -70.74 -49.79 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.401 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' B' ' 31' ' ' GLN . 0.7 OUTLIER -53.97 -26.51 26.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.449 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -81.26 -36.02 30.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -70.96 -58.72 3.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -85.65 -86.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.522 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.26 5.46 0.05 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.6 mt -79.42 133.28 60.19 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.7 0.286 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.34 143.0 34.39 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.579 2.186 . . . . 0.0 111.948 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.24 -67.4 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.844 2.363 . . . . 0.0 112.024 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -43.07 -19.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.661 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' B' ' 38' ' ' PRO . 32.0 mm-40 -109.21 57.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.643 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -155.64 163.82 39.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.487 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -159.64 93.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.98 126.83 31.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.57 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mt -130.44 131.79 65.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -139.94 122.87 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.471 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.19 48.23 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.33 43.08 51.21 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.465 ' CB ' ' NZ ' ' B' ' 48' ' ' LYS . 4.9 ttpm? -152.69 128.25 10.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.786 0.327 . . . . 0.0 110.571 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.587 ' NE2' ' NH1' ' B' ' 72' ' ' ARG . 12.1 tt0 -77.82 143.53 37.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.7 mt -93.91 126.63 39.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.638 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -84.15 158.23 21.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.6 158.37 29.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.505 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.85 -60.18 4.2 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -47.06 167.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.535 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.49 ' HG1' ' H ' ' B' ' 57' ' ' SER . 44.7 p -106.92 173.69 6.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.51 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 61.4 mt -75.96 1.91 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.49 ' H ' ' HG1' ' B' ' 55' ' ' THR . 2.0 t -95.67 -42.92 8.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.547 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.88 -35.08 22.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.499 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -90.22 -8.27 51.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' B' ' 60' ' ' ASN . 0.8 OUTLIER 68.37 41.61 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.712 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 80.9 mt -80.65 103.2 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.372 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -78.2 -163.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -86.48 160.74 18.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.796 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 60.53 37.34 19.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.816 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -94.73 134.74 36.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.436 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -91.8 86.93 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mp -69.5 112.13 5.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -75.96 101.13 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.493 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 tp -84.37 94.46 8.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.393 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -98.21 149.89 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 mp -111.8 72.39 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.487 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.587 ' NH1' ' NE2' ' B' ' 49' ' ' GLN . 18.8 mtm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.611 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.544 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -108.04 114.55 28.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.516 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -106.32 153.68 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . 0.548 ' CE2' ' OG1' ' C' ' 14' ' ' THR . 55.7 m-85 -104.52 144.42 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.665 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -121.9 106.42 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.263 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -90.52 125.78 35.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.67 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' THR . . . . . 0.431 ' OG1' ' OG1' ' C' ' 9' ' ' THR . 13.9 p -94.35 144.14 25.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.466 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.89 -32.75 54.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.469 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' THR . . . . . 0.431 ' OG1' ' OG1' ' C' ' 7' ' ' THR . 27.0 p -55.81 -81.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.518 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.7 66.86 0.04 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -173.41 151.9 2.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.773 0.32 . . . . 0.0 110.51 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -121.36 153.78 37.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.476 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -135.11 131.88 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.688 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' THR . . . . . 0.548 ' OG1' ' CE2' ' C' ' 4' ' ' PHE . 3.5 m -100.72 119.52 38.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.407 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -121.82 137.22 54.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.793 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -85.5 111.11 19.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.321 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.544 ' O ' ' N ' ' C' ' 1' ' ' MET . 11.3 m -132.35 169.57 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.751 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.603 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 99.0 mt-10 -125.04 147.9 58.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.404 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.53 -20.22 0.56 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.773 2.315 . . . . 0.0 112.06 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.463 ' H ' ' HG ' ' C' ' 20' ' ' SER . 1.0 OUTLIER -98.59 17.59 18.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.669 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.603 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 20.0 m-20 -89.0 131.96 34.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.527 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.5 p -82.96 141.09 32.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.641 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 33.0 mm -45.76 -49.22 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.385 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -52.37 -37.22 55.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.372 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -64.16 -45.3 89.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.301 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.31 -48.39 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.261 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -53.3 -40.71 64.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.292 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.82 -45.02 95.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.357 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -58.0 -41.25 82.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.373 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.2 mt -65.48 -37.31 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.447 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -63.2 -32.74 74.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.415 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -76.18 -27.78 57.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -80.03 -63.04 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -87.58 -99.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.574 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.95 28.25 0.02 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.412 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 30.4 mt -97.38 100.11 7.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.701 0.286 . . . . 0.0 110.519 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -44.94 140.15 7.29 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.734 2.289 . . . . 0.0 111.984 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.585 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.65 -41.39 24.24 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.783 2.322 . . . . 0.0 111.892 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.24 20.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.585 ' H ' ' C ' ' C' ' 38' ' ' PRO . 21.1 mt-30 -151.82 54.7 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.526 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -144.87 155.44 43.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.696 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -146.67 96.05 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.396 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.8 mt -91.98 124.34 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.74 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . 0.445 HG22 HD13 ' C' ' 44' ' ' ILE . 37.5 mt -122.23 135.53 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.297 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.541 ' O ' ' N ' ' C' ' 47' ' ' GLY . 71.9 t80 -149.15 -80.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.694 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' C' ' 48' ' ' LYS . . . -63.06 67.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.466 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 42.86 18.0 0.04 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' C' ' 46' ' ' ALA . 55.0 mttm -156.79 -177.26 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.903 0.382 . . . . 0.0 110.708 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -91.66 156.79 17.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.589 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.09 115.41 27.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.523 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -66.59 154.88 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.604 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.8 115.59 21.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.6 -57.36 0.69 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -51.89 174.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.457 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.479 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 30.7 p -115.27 166.59 11.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.613 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.18 -15.53 63.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.479 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 6.8 p -79.67 -23.81 42.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.553 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.04 -37.89 72.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' C' ' 60' ' ' ASN . 74.4 m-85 -90.33 22.86 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . 0.496 ' O ' ' NE2' ' C' ' 62' ' ' GLN . 18.5 p30 42.87 30.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.653 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 60.2 mt -72.51 113.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.437 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' C' ' 60' ' ' ASN . 12.4 mp0 -83.41 -161.89 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.644 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -87.56 157.34 19.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.668 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 58.46 31.0 20.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.818 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 18.2 m -84.91 139.61 31.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.517 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 9.2 m -88.85 122.54 32.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.599 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mp -107.91 117.01 33.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.512 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -76.08 98.6 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.474 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . 0.42 HD12 ' H ' ' C' ' 70' ' ' VAL . 55.0 tp -91.34 136.73 32.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.712 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.42 ' H ' HD12 ' C' ' 69' ' ' LEU . 6.8 t -145.15 125.84 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.464 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.66 ' H ' ' CD2' ' C' ' 71' ' ' LEU . 1.3 pt? -110.07 164.94 12.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -59.52 -68.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 76.9 mt -141.09 -170.38 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -49.08 134.24 17.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.634 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.16 162.74 31.62 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 95.8 mt -70.67 -11.49 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -72.85 -74.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.626 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -79.41 21.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.623 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -41.02 -69.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.49 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -107.99 93.54 0.82 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 37.3 t -152.63 -53.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 110.528 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 35.7 tttp 61.08 55.25 3.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.529 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 7.3 t-20 -85.82 -144.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.447 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . 0.529 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 6.2 p-10 -124.21 -15.37 6.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . 0.449 ' OE2' ' NZ ' ' B' ' 6' ' ' LYS . 16.2 mm-40 -85.86 -19.4 30.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.455 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.7 t -58.02 -48.91 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.495 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 5.6 mt -92.14 -19.91 21.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.559 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -71.24 -12.57 72.52 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 7.5 mp -119.32 -39.39 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.584 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.52 -61.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.626 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 45.1 tp -42.27 -60.54 2.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.74 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.626 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.87 -57.58 2.21 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.523 2.149 . . . . 0.0 111.747 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 72.7 mt -45.55 -22.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -132.77 31.52 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.505 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.531 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -150.86 -36.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.587 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.531 ' C ' ' O ' ' A' ' 514' ' ' ALA . 5.9 p -28.15 -60.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.681 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.507 ' N ' ' OG ' ' A' ' 515' ' ' SER . 43.8 m -166.92 -85.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.636 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -139.52 56.46 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.37 152.75 95.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.385 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . 0.481 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -43.77 128.2 6.71 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.932 2.421 . . . . 0.0 112.079 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 19.5 pt -73.71 15.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 519' ' ' PRO . 41.1 mt-10 -85.48 -48.06 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.568 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 4.5 t -97.64 -20.01 17.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.583 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.22 85.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -53.31 -65.76 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 61.1 mtt -52.5 -49.31 65.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.538 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -46.68 -65.4 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.9 t -44.66 -41.65 6.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.658 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.27 -62.5 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.07 -36.29 12.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.19 -61.34 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -59.74 -38.39 81.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -45.32 -49.89 12.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.544 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.478 ' C ' ' H ' ' A' ' 535' ' ' VAL . 91.4 t -76.58 -58.44 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -77.44 31.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.478 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.4 p -63.37 -27.66 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.566 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -74.09 -83.88 0.32 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 8.0 t -72.5 -168.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.437 ' N ' ' OG1' ' A' ' 537' ' ' THR . 8.3 p -174.74 -172.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.569 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.516 ' ND2' ' OD2' ' A' ' 541' ' ' ASP . 47.9 t30 -162.49 167.86 22.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.56 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.25 -48.99 9.94 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.516 ' OD2' ' ND2' ' A' ' 539' ' ' ASN . 5.9 m-20 -45.1 -48.29 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.552 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 88.0 mt -54.26 -38.06 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.6 m -75.88 -56.7 4.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.415 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 77.9 p -43.33 -55.16 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.65 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.41 ' OG ' ' CD1' ' C' ' 73' ' ' LEU . 12.8 m -58.54 -46.41 86.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -32.68 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.472 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 74.5 mmm -72.59 -36.17 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.45 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 544' ' ' THR . 14.2 m-20 -57.66 -39.83 77.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.307 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -69.19 -44.67 71.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.399 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -44.34 -61.41 1.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.36 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.493 ' C ' ' H ' ' A' ' 553' ' ' ARG . 10.8 mp -52.91 -54.29 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.31 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.591 ' O ' ' O ' ' A' ' 553' ' ' ARG . 77.1 mt-10 -71.63 43.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.337 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.591 ' O ' ' O ' ' A' ' 552' ' ' GLU . 17.5 ttm180 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.904 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 3.2 p30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.862 0.363 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -160.44 -51.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.591 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.3 p -48.38 -19.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.629 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -77.37 -38.82 49.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.545 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -66.57 -51.6 54.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.598 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 566' ' ' LEU . 10.0 mp -55.13 -62.93 1.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.505 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -44.17 -48.59 9.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.634 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 13.8 tp -52.8 -71.38 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -45.7 -76.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.552 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 53.7 tp -45.01 -21.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.528 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -76.31 -77.17 0.77 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 8.5 mm -67.47 -2.04 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 110.539 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 17.9 tp -41.29 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.555 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -65.26 -171.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.519 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.1 ttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 582' ' ' ASP . 44.2 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.767 0.318 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.638 ' H ' ' NE2' ' A' ' 580' ' ' GLN . 2.7 mp0 -41.21 -51.16 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.519 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 68.8 t -53.43 -37.36 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 579' ' ' GLU . 10.5 t70 -56.91 -46.2 82.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.2 -51.61 67.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.664 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 54.6 t -44.47 -62.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 8.4 mp -47.14 -56.96 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.61 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -40.15 -54.76 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.632 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 16.1 m -50.85 -61.74 2.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.8 mt -42.61 -47.17 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.549 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 4.4 t -68.16 -35.17 77.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.543 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -46.97 -39.26 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.499 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.424 ' O ' ' O ' ' A' ' 592' ' ' GLU . 4.5 mt -92.92 143.26 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.541 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 591' ' ' ILE . 24.4 mt-10 -60.02 -144.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.602 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.439 ' C ' ' H ' ' A' ' 595' ' ' MET . 15.4 m-70 62.81 79.06 0.27 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.536 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.02 29.66 0.36 Allowed 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.9 2.4 . . . . 0.0 111.95 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.439 ' H ' ' C ' ' A' ' 593' ' ' HIS . 15.8 mmt -86.15 -49.09 8.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.488 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 1.8 t -69.78 -3.81 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 15.5 p -43.1 -26.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.605 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -63.05 -50.06 72.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.595 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.57 -27.65 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.644 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -62.48 -51.75 66.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 82.0 t -61.79 -38.23 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.586 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 34.6 tp -54.08 -74.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.485 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 606' ' ' CYS . 59.8 t -54.18 -38.19 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.531 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -54.7 -51.4 52.83 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 21.1 m -54.83 -49.11 71.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.309 . . . . 0.0 110.528 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 603' ' ' VAL . 29.1 t -80.55 119.14 22.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.502 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -96.67 102.5 14.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.525 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.3 pt -96.7 151.07 4.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.582 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -105.35 151.78 23.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.537 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 t -130.19 103.12 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.354 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.449 ' NZ ' ' OE2' ' A' ' 504' ' ' GLU . 29.0 ttpt -86.14 126.02 33.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.591 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p -90.44 163.97 14.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.514 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tp -78.98 51.14 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 41.6 p -151.01 -40.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.26 -11.22 2.77 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -82.61 138.24 34.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.797 0.332 . . . . 0.0 110.617 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.4 m -123.13 125.89 46.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.559 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -107.55 149.99 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.638 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -119.24 132.1 55.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.398 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.6 mt -132.14 133.73 44.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -85.43 79.78 9.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.409 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 m -97.99 -177.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.471 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 3.1 mt-10 -128.75 175.48 3.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.3 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.72 -24.16 13.73 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.771 2.314 . . . . 0.0 112.034 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -92.45 5.27 51.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.414 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.471 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 15.2 m-20 -75.68 135.42 40.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.581 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 4.0 p -87.09 143.75 27.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.686 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.444 HD13 HG23 ' B' ' 23' ' ' ILE . 30.2 mm -46.97 -53.63 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.368 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -48.29 -37.95 17.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.333 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.676 ' ND2' ' HZ2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -63.46 -47.96 79.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.174 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.1 t -56.82 -52.45 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.16 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -51.91 -32.44 32.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.148 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.85 -44.28 81.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.273 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.676 ' HZ2' ' ND2' ' B' ' 25' ' ' ASN . 48.2 mttp -62.97 -32.69 74.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.362 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 11.6 mt -72.37 -37.57 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.493 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -65.0 -39.24 93.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.46 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -71.12 -29.32 65.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -76.15 -59.86 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.624 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -90.93 -96.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.595 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.6 18.68 0.02 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.48 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 57.5 mt -93.64 102.92 8.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.624 0.25 . . . . 0.0 110.482 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.42 142.54 6.47 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.634 2.223 . . . . 0.0 111.867 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' B' ' 39' ' ' ASP . 2.7 Cg_endo -46.16 -66.4 0.15 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.792 2.328 . . . . 0.0 112.01 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' B' ' 38' ' ' PRO . 17.0 m-20 -38.47 -32.8 0.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -96.66 59.78 1.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.621 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 60.0 mt-30 -155.8 163.26 40.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.558 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.463 ' CZ ' ' OE1' ' B' ' 49' ' ' GLN . 7.7 tpt180 -154.41 91.47 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.587 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.87 122.36 28.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.503 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.2 mt -128.44 135.27 62.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.484 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -143.36 133.76 24.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.77 30.74 18.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.532 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.06 37.45 87.41 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -144.92 129.83 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.522 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.463 ' OE1' ' CZ ' ' B' ' 42' ' ' ARG . 38.9 mt-30 -77.91 130.4 36.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 mt -83.92 100.13 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.565 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -62.31 154.17 28.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.607 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -73.21 128.01 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 119.6 -63.27 0.46 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' B' ' 53' ' ' GLY . 13.1 mmt85 -43.58 168.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.478 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.421 ' C ' ' H ' ' B' ' 57' ' ' SER . 15.8 p -113.38 159.58 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.4 mt -63.25 -4.08 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.491 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.421 ' H ' ' C ' ' B' ' 55' ' ' THR . 2.5 t -90.95 -19.63 23.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.55 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.83 -36.47 50.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.572 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -88.35 6.6 36.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.538 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.423 ' N ' ' ND2' ' B' ' 60' ' ' ASN . 3.0 m120 60.61 18.39 8.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.21 111.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -86.45 -161.4 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.665 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -86.4 160.21 19.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.759 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 58.66 24.84 12.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.821 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -79.95 133.81 36.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.397 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -87.03 99.89 12.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.681 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.8 mp -83.06 114.27 21.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.451 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -76.97 108.29 9.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.506 ' C ' ' CD2' ' B' ' 69' ' ' LEU . 5.9 tt -92.48 115.78 28.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.381 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -119.74 160.89 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' B' ' 72' ' ' ARG . 82.3 mt -97.03 163.23 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 10.7 ttt-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.466 ' N ' ' O ' ' C' ' 17' ' ' VAL . 1.3 ptt? . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -96.36 111.39 23.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -103.76 148.75 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -103.91 131.44 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.597 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 54.4 t -112.25 112.96 42.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -91.58 129.3 37.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' THR . . . . . 0.482 ' C ' ' H ' ' C' ' 9' ' ' THR . 45.9 p -94.65 145.27 24.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.613 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.73 43.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' THR . . . . . 0.482 ' H ' ' C ' ' C' ' 7' ' ' THR . 31.9 p -143.51 -20.74 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.599 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.66 58.45 0.49 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -163.37 124.22 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -102.15 157.31 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.607 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -143.2 133.29 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.655 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -98.72 128.17 44.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.398 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -131.17 129.07 41.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.708 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -80.32 98.56 7.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.372 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.9 m -122.71 165.25 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.732 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.561 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 28.5 mt-10 -123.07 147.92 52.98 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.353 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.5 -17.99 0.27 Allowed 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.805 2.337 . . . . 0.0 112.024 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.404 ' N ' ' O ' ' C' ' 18' ' ' GLU . 0.9 OUTLIER -100.66 19.06 17.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.561 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 9.5 m-20 -91.72 132.54 36.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.496 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' THR . . . . . 0.416 ' O ' ' N ' ' C' ' 25' ' ' ASN . 3.0 p -83.2 138.35 33.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.579 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -40.96 -56.04 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.563 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -47.83 -37.83 14.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.385 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . 0.613 ' ND2' ' NZ ' ' C' ' 29' ' ' LYS . 0.2 OUTLIER -64.07 -42.23 97.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.183 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -62.19 -50.93 78.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.152 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -51.17 -41.23 60.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.252 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.43 98.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.343 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . 0.613 ' NZ ' ' ND2' ' C' ' 25' ' ' ASN . 58.5 mttp -58.85 -40.78 85.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.444 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 5.6 mt -65.64 -38.46 82.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.299 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -60.98 -37.14 81.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.22 -27.29 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -77.16 -59.29 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.491 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -95.56 -99.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.613 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.72 10.95 0.03 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 61.4 mt -81.23 125.89 78.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.591 0.234 . . . . 0.0 110.552 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.53 141.99 32.18 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.7 2.267 . . . . 0.0 111.905 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.48 -60.19 0.95 Allowed 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.881 2.387 . . . . 0.0 112.065 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -44.26 -14.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.786 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.537 ' N ' ' O ' ' C' ' 38' ' ' PRO . 11.4 mm100 -119.93 62.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.694 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -156.87 143.08 18.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.728 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -136.07 102.23 4.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.235 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 mt -95.91 135.56 37.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.775 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 13.7 mt -133.56 139.09 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.439 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.573 ' O ' ' N ' ' C' ' 47' ' ' GLY . 79.0 t80 -137.75 161.84 35.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . 0.438 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . 48.44 -84.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.575 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -159.4 31.47 0.43 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -152.6 162.47 41.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 110.62 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -92.23 146.19 23.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.494 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.52 131.18 34.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.631 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -91.04 150.11 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.678 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -72.81 100.69 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.533 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.59 -61.38 0.45 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -49.66 171.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.441 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.44 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 12.0 p -110.21 167.11 10.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.4 -22.4 66.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.639 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.44 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 7.1 p -74.62 -12.64 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.582 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -87.16 -2.92 58.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -123.85 12.04 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.587 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 55.31 27.76 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.605 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -76.74 99.8 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.523 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -76.59 -170.68 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.609 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . 0.45 ' NZ ' ' CB ' ' C' ' 63' ' ' LYS . 0.3 OUTLIER -77.54 159.26 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.725 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 56.21 29.46 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.756 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 58.0 m -85.68 137.78 32.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 28.6 m -93.5 109.54 21.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.595 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mp -93.68 165.72 12.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -113.66 103.28 11.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 42.8 tp -96.44 130.75 43.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.448 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.91 134.02 60.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.514 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 mt -82.13 161.56 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.565 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -73.92 -51.16 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' C' ' 74' ' ' ARG . 16.8 tp -174.51 105.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.506 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' C' ' 73' ' ' LEU . 38.2 ttm-85 54.98 109.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.59 144.36 45.98 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.742 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 72.5 mt -91.09 -6.44 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.66 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.458 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -72.45 -64.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.565 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 498' ' ' ALA . 47.5 p90 -78.31 24.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -38.65 -68.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.45 97.6 1.12 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 36.2 p -171.35 -48.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 110.599 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 51.8 mttp 55.81 77.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.659 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' A' ' 504' ' ' GLU . 4.6 m-20 -110.99 143.61 41.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.502 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.28 -1.13 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.512 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . 0.491 ' H ' ' C ' ' A' ' 502' ' ' ASN . 31.3 tt0 -86.32 -47.35 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.431 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 24.6 t -44.09 -58.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.446 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 508' ' ' LEU . 22.0 mt -66.17 -48.11 71.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.54 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' B' ' 68' ' ' HIS . . . -43.27 -16.26 0.03 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 506' ' ' LEU . 36.1 tp -118.45 -42.83 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.97 -44.92 87.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.75 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.543 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 6.9 mt -50.08 -65.9 0.76 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.633 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.7 -55.44 3.57 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.66 2.24 . . . . 0.0 111.836 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 61.3 mt -45.98 -26.17 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.515 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -135.82 31.57 3.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.528 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -151.9 -35.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.771 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 514' ' ' ALA . 10.3 t -27.36 -75.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.693 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 515' ' ' SER . 1.2 m -169.4 -46.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -132.16 -97.57 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.622 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 12.8 mt 61.05 146.79 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.467 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.96 117.48 1.57 Allowed 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.832 2.355 . . . . 0.0 112.016 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 18.5 pt -66.98 -20.12 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.543 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -70.69 -66.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 66.8 p -57.93 -37.83 74.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.79 89.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.584 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -49.01 -37.71 21.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.522 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 15.5 ttt -70.81 -37.37 73.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.565 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.81 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.562 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 24.5 p -55.81 -41.21 73.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.5 tt -50.42 -66.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -50.36 -37.27 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.28 -59.51 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.488 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -64.9 -36.82 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -46.28 -43.75 15.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.546 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.45 ' C ' ' H ' ' A' ' 535' ' ' VAL . 88.8 t -85.26 -46.82 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -75.25 14.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.45 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.1 p -53.72 -21.42 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.73 -102.56 0.31 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 4.4 t -62.86 -169.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.579 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.522 ' O ' ' ND2' ' A' ' 539' ' ' ASN . 20.2 p -162.96 177.5 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 39.7 m-80 -161.37 167.36 25.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 543' ' ' THR . . . -81.15 -49.57 5.51 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.419 ' O ' ' OG ' ' A' ' 545' ' ' SER . 49.2 m-20 -43.0 -35.99 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.484 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.07 -36.64 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.578 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 540' ' ' GLY . 90.2 m -81.47 -57.81 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 543' ' ' THR . 82.1 p -39.56 -41.41 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 541' ' ' ASP . 2.4 p -73.32 -57.56 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.333 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -30.38 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.462 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' MET . . . . . 0.528 ' SD ' ' CD1' ' C' ' 8' ' ' LEU . 22.3 ttm -72.26 -45.22 61.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.553 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -48.95 -42.29 36.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.382 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -67.81 -46.05 72.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -46.6 -43.21 17.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 48.1 mt -64.88 -64.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.42 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' A' ' 553' ' ' ARG . 8.7 mm-40 -83.34 33.88 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.355 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.508 ' O ' ' O ' ' A' ' 552' ' ' GLU . 30.1 ptt180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.959 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.832 0.348 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.539 ' CE3' ' N ' ' A' ' 563' ' ' VAL . 40.3 p-90 -173.24 -55.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.539 ' N ' ' CE3' ' A' ' 562' ' ' TRP . 11.5 p -42.13 -39.84 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.569 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -51.73 -61.76 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 568' ' ' LEU . 95.9 m-85 -49.18 -59.79 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.636 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 11.0 mp -43.36 -55.58 4.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.493 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -56.58 -24.97 51.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 565' ' ' PHE . 1.7 tt -62.94 -67.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.631 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -60.46 -70.85 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 58.4 tp -41.66 -25.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -77.69 -78.19 0.79 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 14.0 mm -58.24 -9.77 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.596 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.4 ' H ' ' C ' ' A' ' 571' ' ' GLY . 17.6 tp -48.6 -71.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -81.5 -171.81 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 18.4 ttt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.611 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -66.84 -56.8 8.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.464 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 34.9 t -54.06 -27.42 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.436 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.86 -53.66 43.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.451 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.26 -29.01 70.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 78.5 t -64.16 -58.77 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.482 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 19.9 mt -50.03 -39.06 40.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.436 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -58.32 -34.76 70.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.473 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 590' ' ' ALA . 9.3 m -65.24 -56.07 14.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.437 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 8.3 mm -45.03 -39.04 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.37 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 7.6 t -72.41 -33.58 67.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -53.01 -32.14 44.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.476 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.444 ' O ' ' O ' ' A' ' 592' ' ' GLU . 11.5 pt -108.9 161.31 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 591' ' ' ILE . 23.4 mt-10 -59.93 -138.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.578 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 12.4 m80 64.68 74.65 0.4 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.556 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 -23.44 12.92 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.983 2.455 . . . . 0.0 111.941 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 56.6 mtm -63.45 -19.77 65.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 86.1 m -77.07 -12.76 59.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.662 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 25.6 t -44.79 -37.22 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -46.09 -58.16 3.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . 0.4 HD12 HG23 ' A' ' 599' ' ' ILE . 96.2 mt -61.87 -47.3 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -47.43 -51.12 21.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.541 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.81 -52.04 64.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.602 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.8 tp -45.55 -68.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.503 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 41.9 t -56.16 -30.06 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.66 -38.41 94.55 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 31.2 t -65.7 -64.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.742 0.306 . . . . 0.0 110.595 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 48.6 t -88.49 119.78 29.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.529 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.567 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -119.78 116.52 26.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.612 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.2 pt -110.61 154.39 12.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.542 ' CE2' ' OG1' ' B' ' 14' ' ' THR . 68.0 m-85 -108.94 155.4 20.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.643 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.3 t -133.06 106.65 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.235 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -77.76 128.77 34.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.577 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.549 ' C ' ' H ' ' B' ' 9' ' ' THR . 59.9 p -91.47 172.81 8.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.498 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.33 12.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.558 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.549 ' H ' ' C ' ' B' ' 7' ' ' THR . 49.0 p -145.97 173.85 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.409 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.54 68.92 0.02 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' B' ' 9' ' ' THR . 42.4 tttp -159.71 130.76 5.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.613 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.6 m -127.08 130.24 49.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.457 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 mt -102.5 136.04 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.688 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.542 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 4.1 m -112.68 125.18 54.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.321 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -127.34 148.48 50.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -91.03 106.64 18.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.204 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' B' ' 1' ' ' MET . 4.1 m -127.65 165.16 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.581 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 48.3 mt-10 -124.76 149.9 63.96 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.319 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.65 -19.21 0.43 Allowed 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.86 2.373 . . . . 0.0 112.105 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.33 15.04 25.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.765 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.581 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 8.7 m-20 -87.47 135.06 33.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.482 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.464 ' HG1' ' H ' ' B' ' 25' ' ' ASN . 3.2 p -85.87 137.99 32.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.657 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.455 HD12 HG21 ' B' ' 23' ' ' ILE . 31.8 mm -43.9 -48.32 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.316 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -53.84 -34.38 59.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.324 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.702 HD22 ' NZ ' ' B' ' 29' ' ' LYS . 0.1 OUTLIER -67.11 -43.09 83.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.265 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.95 -49.13 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.267 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -54.55 -40.59 68.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.381 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.406 ' O ' ' OD1' ' B' ' 32' ' ' ASP . . . -60.4 -48.32 82.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.341 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.702 ' NZ ' HD22 ' B' ' 25' ' ' ASN . 54.8 mttp -56.3 -40.06 73.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.363 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 12.1 mt -63.36 -44.78 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -57.18 -36.48 70.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.408 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 1.0 OUTLIER -72.38 -21.97 61.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.508 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -83.54 -58.25 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -97.06 -104.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.79 26.28 0.05 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.438 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 40.5 mt -99.06 97.62 5.39 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.613 0.244 . . . . 0.0 110.479 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -44.75 143.28 4.33 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.646 2.231 . . . . 0.0 112.003 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -45.92 -66.75 0.14 Allowed 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.843 2.362 . . . . 0.0 112.127 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' B' ' 38' ' ' PRO . 45.7 m-20 -37.49 -27.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' B' ' 38' ' ' PRO . 63.4 mm-40 -104.27 56.95 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.617 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -155.01 171.83 19.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.697 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.522 ' HE ' ' CD ' ' B' ' 49' ' ' GLN . 5.7 tpt180 -172.65 99.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.421 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -86.31 121.1 28.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.72 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.6 mt -117.73 148.27 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.538 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' B' ' 48' ' ' LYS . 77.4 t80 -151.25 123.67 8.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.558 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.96 39.28 10.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.94 -12.48 23.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' B' ' 45' ' ' PHE . 38.5 mmtm -84.82 105.91 15.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.741 0.305 . . . . 0.0 110.604 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.522 ' CD ' ' HE ' ' B' ' 42' ' ' ARG . 16.8 tt0 -79.85 127.4 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.437 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 mt -81.82 125.91 31.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.629 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -99.53 153.18 19.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.578 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.16 142.22 58.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.626 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 102.72 -69.81 0.32 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' B' ' 53' ' ' GLY . 8.9 mmt85 -42.38 169.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.641 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.428 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 44.2 p -115.86 166.46 11.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.562 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 mt -65.18 -20.42 66.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.619 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.428 ' OG ' ' OG1' ' B' ' 55' ' ' THR . 5.6 p -73.29 -33.8 65.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.551 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -62.04 -36.14 80.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.594 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -88.74 8.39 29.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 54.99 24.77 6.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.731 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.2 mt -65.24 126.31 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.321 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -91.89 -172.15 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -87.88 160.71 17.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.711 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.05 31.84 21.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m -83.35 167.62 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.338 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.9 m -121.2 85.51 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.56 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.71 169.74 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.457 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 507' ' ' GLY . 32.5 m80 -126.2 107.26 10.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.446 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 15.7 tp -81.21 107.32 13.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.413 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -119.08 146.73 23.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.412 ' CD1' ' N ' ' B' ' 71' ' ' LEU . 10.9 mp -100.57 73.21 1.61 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.636 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.513 ' N ' ' O ' ' C' ' 17' ' ' VAL . 17.2 ttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.06 101.34 5.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -109.11 152.12 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -107.67 145.97 32.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.629 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 38.4 t -132.05 102.88 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.372 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -78.36 160.87 27.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.66 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' THR . . . . . 0.562 ' C ' ' H ' ' C' ' 9' ' ' THR . 65.2 p -131.27 142.11 50.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.457 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.528 ' CD1' ' SD ' ' A' ' 547' ' ' MET . 0.9 OUTLIER -71.21 36.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.518 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' THR . . . . . 0.562 ' H ' ' C ' ' C' ' 7' ' ' THR . 69.2 p -135.57 -14.86 1.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.3 69.23 0.77 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -174.46 141.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.588 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -123.86 123.01 39.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mt -106.02 133.69 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.759 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -105.78 127.36 53.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.453 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 25.0 mt -127.96 132.1 49.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.747 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -86.98 79.23 8.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.483 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' C' ' 1' ' ' MET . 17.5 m -97.93 -164.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.716 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.442 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.2 mt-10 -139.15 176.94 2.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.252 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -75.21 -26.8 10.25 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.795 2.33 . . . . 0.0 112.079 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.95 9.69 26.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.584 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -81.47 135.14 35.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.516 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 4.7 p -86.74 139.39 30.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.769 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 29.4 mm -43.33 -53.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.343 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -47.03 -40.88 15.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.324 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -62.31 -40.69 97.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.183 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.35 -49.26 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.216 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -53.2 -39.48 63.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.293 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.57 98.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.267 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -61.66 -33.58 74.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.287 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -72.68 -38.23 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.295 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -64.03 -32.53 74.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.65 -38.59 58.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.469 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -69.38 -62.32 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.522 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -86.17 -86.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.29 14.2 0.06 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.484 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 63.3 mt -84.83 120.7 74.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.663 0.268 . . . . 0.0 110.5 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -46.3 136.96 14.7 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.613 2.209 . . . . 0.0 111.877 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.46 -63.27 0.34 Allowed 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.734 2.289 . . . . 0.0 112.012 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -44.24 -32.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.778 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -92.58 54.98 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.718 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 60.4 mt-30 -155.86 93.41 1.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.563 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -87.82 109.44 19.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.439 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 74.3 mt -94.01 131.07 39.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.712 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 6.2 mt -128.94 142.26 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.597 ' O ' ' N ' ' C' ' 47' ' ' GLY . 54.3 t80 -135.16 -177.87 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . 0.577 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -57.62 72.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.521 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 167.48 -64.25 0.2 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . 0.479 ' CG ' ' H ' ' C' ' 49' ' ' GLN . 6.5 ttmm -174.66 -146.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.616 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . 0.479 ' H ' ' CG ' ' C' ' 48' ' ' LYS . 39.8 mt-30 -89.54 145.01 25.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.428 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -93.57 120.61 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -83.91 158.81 21.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.582 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.47 166.89 17.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 85.3 -65.16 4.06 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' C' ' 53' ' ' GLY . 1.1 mmt-85 -42.34 168.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 110.621 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.436 ' OG1' ' OD1' ' C' ' 58' ' ' ASP . 43.4 p -118.33 164.19 15.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.581 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.44 -13.44 60.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.587 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 3.1 t -83.64 -23.75 31.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . 0.436 ' OD1' ' OG1' ' C' ' 55' ' ' THR . 5.1 m-20 -70.33 -39.48 74.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -84.24 4.28 31.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 63.41 24.89 14.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 81.0 mt -71.13 104.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -82.74 -157.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.645 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -85.46 159.59 19.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.622 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 55.64 36.19 26.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.654 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 32.0 m -96.14 138.36 33.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -90.04 125.33 35.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -119.03 112.54 19.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -66.62 147.03 53.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.334 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . 0.485 ' CD2' ' C ' ' C' ' 69' ' ' LEU . 6.2 tt -141.9 120.0 12.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.391 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 10.5 t -114.44 144.88 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.648 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' C' ' 73' ' ' LEU . 7.4 mt -93.35 113.64 25.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.576 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -59.53 80.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.486 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' C' ' 71' ' ' LEU . 0.5 OUTLIER 72.11 89.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.425 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' C' ' 73' ' ' LEU . 12.8 ptm180 35.57 -154.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.723 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.91 -179.43 42.12 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.96 -12.62 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 0.0 110.665 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -68.16 -51.86 41.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.619 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.581 ' C ' ' H ' ' A' ' 499' ' ' GLY . 16.4 m-85 -51.01 -39.84 56.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.627 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -56.04 -2.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.659 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.581 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -57.31 -71.4 0.75 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 27.7 t -163.37 37.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt 45.34 87.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -94.13 -174.73 3.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.529 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -99.87 -6.23 27.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.582 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -78.23 -18.09 55.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.026 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' A' ' 509' ' ' LEU . 2.4 t -60.85 -75.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.43 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.404 ' CD1' ' N ' ' A' ' 506' ' ' LEU . 10.9 mp -65.02 -21.71 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.561 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -58.44 -34.27 74.56 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 9.2 mp -114.94 -34.58 5.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.73 0.3 . . . . 0.0 111.054 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 505' ' ' VAL . 4.0 mm? -65.4 -61.03 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.201 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.566 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 17.0 tp -43.39 -62.24 1.48 Allowed Pre-proline 0 C--N 1.33 -0.275 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.862 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.613 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.6 Cg_endo -46.37 -64.86 0.22 Allowed 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.459 2.106 . . . . 0.0 111.724 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.402 HG22 HD13 ' A' ' 512' ' ' ILE . 79.6 mt -55.05 -5.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.545 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . 0.533 ' H ' ' C ' ' A' ' 511' ' ' PRO . . . -107.42 -21.81 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.757 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -167.73 37.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.1 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.613 ' N ' ' O ' ' A' ' 511' ' ' PRO . 21.2 t -49.34 -25.75 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.101 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.578 ' OG1' ' O ' ' A' ' 515' ' ' SER . 1.6 m 168.17 -47.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.278 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 517' ' ' ASP . 36.3 t0 -173.01 26.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.637 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' A' ' 519' ' ' PRO . 29.9 mt -52.18 155.5 3.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.398 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . 0.48 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.9 Cg_endo -43.86 178.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.934 2.423 . . . . 0.0 112.132 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' A' ' 521' ' ' GLU . 20.0 mt -105.62 -15.35 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 520' ' ' ILE . 91.5 mt-10 -45.97 -98.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.705 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 524' ' ' ALA . 19.8 p -62.09 -43.18 99.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.742 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.419 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -38.91 -31.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.613 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 522' ' ' THR . . . -77.35 -51.64 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.574 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 68.5 mtt -59.69 -55.54 33.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -49.57 -50.19 43.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.616 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 523' ' ' ALA . 73.8 m -46.28 -48.31 18.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.08 -58.01 8.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.483 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.76 -41.59 15.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.667 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.21 -62.74 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -51.12 -45.38 61.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -44.49 -44.52 8.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.567 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 78.2 t -72.9 -58.84 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -81.99 32.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 531' ' ' ALA . 13.8 p -64.43 -36.13 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.532 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -84.91 -64.65 1.53 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.28 122.85 25.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 10.2 t -99.62 176.92 5.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.409 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 25.0 m120 -160.68 172.76 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.536 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -91.17 -52.76 2.31 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -45.92 -60.62 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.639 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 71.5 mt -43.03 -51.2 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.616 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 45.3 m -60.73 -62.03 2.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.582 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 81.9 p -41.9 -41.44 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.541 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 13.9 m -71.75 -63.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.263 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -44.7 -29.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.182 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.5 tpt -68.03 -51.57 45.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.285 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.474 ' CG ' ' O ' ' C' ' 72' ' ' ARG . 31.9 m-20 -47.03 -44.08 20.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.216 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.523 ' C ' HD21 ' A' ' 549' ' ' ASN . 0.2 OUTLIER -64.42 -37.88 89.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.281 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -57.28 -63.32 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.459 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.539 ' C ' ' H ' ' A' ' 553' ' ' ARG . 10.7 mp -43.62 -61.57 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.298 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' A' ' 553' ' ' ARG . 47.9 mm-40 -72.66 37.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.248 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.539 ' H ' ' C ' ' A' ' 551' ' ' LEU . 23.7 ttt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.869 0.366 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 13.5 p-90 -168.76 -11.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.582 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 29.8 t -46.02 -28.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.536 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -62.45 -62.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -52.52 -43.68 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 36.6 tp -55.46 -39.9 70.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -65.8 -52.88 47.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.531 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 46.9 mt -53.67 -17.38 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.598 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.505 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -80.28 -74.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 78.4 mt -63.93 1.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -97.26 -77.09 1.33 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 75.1 mt -55.3 -25.87 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.752 0.31 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.0 tp -55.91 -75.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -59.8 121.15 11.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.515 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 14.1 ttt . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.533 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.789 0.328 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -66.83 -68.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.492 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 6.1 p -47.44 -27.25 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.412 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.49 -51.87 65.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.403 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.56 -42.33 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.297 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 39.0 t -63.62 -46.06 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.28 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.5 -39.23 86.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.317 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -55.71 -37.29 68.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.277 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 590' ' ' ALA . 6.9 m -64.55 -57.45 9.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.25 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.7 mt -45.69 -35.14 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.227 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 5.1 m -76.89 -34.79 57.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.233 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -50.55 -30.09 12.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.327 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 10.9 pt -106.86 -168.18 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.435 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -75.66 136.51 40.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.614 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 9.5 p80 -144.39 44.22 0.46 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.626 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.78 -73.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.021 2.481 . . . . 0.0 112.118 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 597' ' ' SER . 6.0 ttm -77.8 -52.14 9.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.688 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 75.7 p -42.83 -18.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.632 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 595' ' ' MET . 22.4 p -45.04 -25.75 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.52 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.06 -77.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 11.4 tt -47.09 -25.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -62.23 -40.73 97.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 84.3 t -76.51 -18.91 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 12.4 tp -73.74 -63.04 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.484 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.63 -43.51 79.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -55.18 -37.86 65.55 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 42.3 t -77.04 -64.86 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.339 . . . . 0.0 110.524 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.26 122.24 23.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.572 -179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.0 ttp . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -84.94 122.06 28.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.4 pt -123.79 148.5 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -102.99 144.62 31.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.621 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.1 t -124.09 108.13 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.357 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -86.86 114.68 23.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.605 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 26.2 p -67.61 -139.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tp -145.62 32.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.529 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 34.1 p -149.38 14.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.462 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.18 72.25 1.25 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -170.83 134.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.64 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.7 m -125.86 108.83 11.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.478 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.6 148.05 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.617 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 16.0 m -115.93 105.63 12.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.328 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mp -104.88 168.38 9.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -124.39 122.37 37.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.083 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 m -146.56 -163.66 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.916 0.389 . . . . 0.0 110.938 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.515 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 8.2 mt-10 -145.94 145.92 26.72 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.354 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.06 -11.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.913 2.408 . . . . 0.0 112.358 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.484 ' H ' ' C ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -98.5 8.3 45.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.877 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.515 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 1.0 OUTLIER -92.5 144.01 25.78 Favored 'General case' 0 N--CA 1.494 1.766 1 N-CA-C 98.828 -4.508 . . . . 0.0 98.828 -164.909 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.446 ' O ' ' N ' ' B' ' 25' ' ' ASN . 4.9 p -88.93 132.89 34.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.542 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' B' ' 22' ' ' THR . 25.8 mm -36.65 -57.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -45.63 -44.17 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.406 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 22' ' ' THR . 1.7 t30 -59.03 -48.13 82.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.272 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 19.0 t -54.72 -54.38 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.12 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -48.95 -35.25 14.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.09 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.24 81.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.152 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -58.36 -32.89 68.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.115 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.8 mt -69.2 -48.27 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.329 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -55.4 -36.87 66.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.499 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.41 -33.84 71.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.532 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -72.44 -65.38 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.537 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -84.97 -104.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.589 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.58 9.18 0.03 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 66.5 mt -81.19 126.42 76.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.66 0.267 . . . . 0.0 110.428 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.02 143.74 36.81 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.571 2.181 . . . . 0.0 111.987 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -45.94 -65.81 0.17 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.824 2.349 . . . . 0.0 112.009 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 38' ' ' PRO . 10.6 t0 -38.06 -26.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.682 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' B' ' 38' ' ' PRO . 46.8 mm-40 -108.58 61.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -149.88 152.98 35.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -148.95 102.71 3.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.389 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' B' ' 43' ' ' LEU . 8.8 mp -89.28 113.87 25.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.738 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 95.7 mt -115.4 140.38 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.43 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' B' ' 48' ' ' LYS . 69.2 t80 -150.88 135.26 17.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.75 25.25 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.53 -15.15 52.71 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' B' ' 45' ' ' PHE . 29.2 mttm -90.39 124.65 35.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.679 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -83.13 133.74 35.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.48 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.58 123.37 31.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.592 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -90.64 158.85 16.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.28 158.36 33.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 89.95 -66.3 2.81 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' B' ' 53' ' ' GLY . 12.1 mmt85 -43.71 171.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.515 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.7 p -114.13 167.26 10.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.606 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.78 -18.34 64.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.579 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.511 ' C ' ' H ' ' B' ' 59' ' ' TYR . 8.3 t -74.95 -30.08 61.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.668 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.514 ' O ' ' CD1' ' B' ' 59' ' ' TYR . 1.3 m-20 -74.98 29.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' B' ' 58' ' ' ASP . 82.4 m-85 -156.03 0.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.624 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.59 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.6 OUTLIER 63.3 22.27 13.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.716 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.4 mt -67.54 96.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -78.43 -157.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.625 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -86.01 157.62 20.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.707 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 61.97 32.46 17.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.792 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.2 m -88.53 130.21 35.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.433 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 11.6 m -91.07 98.52 11.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.556 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -82.8 120.88 26.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.482 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -76.46 100.27 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.455 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 tp -88.8 106.34 18.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.497 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.8 t -114.95 155.4 16.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.52 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.7 mp -86.48 111.13 20.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.532 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.654 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.543 ' N ' ' O ' ' C' ' 17' ' ' VAL . 30.0 ttp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -89.85 122.67 33.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.615 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 11.5 pt -126.08 154.01 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -109.86 149.21 30.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.728 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 43.6 t -129.93 105.67 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.276 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -88.0 125.79 34.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.716 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 31.7 p -91.65 142.81 27.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.451 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -12.89 5.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.492 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 62.7 p -80.69 -55.01 5.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.49 70.81 0.02 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -169.61 132.5 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 110.624 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -108.29 106.0 15.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.446 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mt -92.59 136.03 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.62 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 6.8 m -107.27 127.59 53.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.416 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 mt -130.57 136.28 48.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -89.92 105.78 18.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.41 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' C' ' 1' ' ' MET . 14.0 m -125.82 -164.05 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.789 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.446 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.3 mt-10 -140.25 177.35 2.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.247 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.1 Cg_exo -75.06 -27.05 10.25 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.824 2.35 . . . . 0.0 112.202 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.17 4.98 43.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.663 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.4 134.08 37.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' THR . . . . . 0.519 ' HG1' ' H ' ' C' ' 25' ' ' ASN . 5.6 p -87.08 143.71 27.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.693 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 24.4 mm -46.61 -46.43 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.35 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -51.56 -43.72 62.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.277 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . 0.519 ' H ' ' HG1' ' C' ' 22' ' ' THR . 22.5 t30 -60.45 -45.44 93.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.287 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 44.8 t -56.9 -50.73 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.237 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -54.52 -30.42 53.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.286 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.57 -50.04 60.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.254 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -57.16 -42.19 80.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.297 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.6 mt -63.09 -41.21 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.43 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -58.92 -38.6 79.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.375 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -68.75 -29.88 68.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.471 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -75.49 -60.98 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.511 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -89.03 -84.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.552 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.2 24.38 0.05 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.449 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 48.7 mt -92.31 108.64 32.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.692 0.282 . . . . 0.0 110.556 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.449 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.69 132.85 13.45 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.708 2.272 . . . . 0.0 111.92 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.574 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.46 -38.76 21.58 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.753 2.302 . . . . 0.0 111.925 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.78 14.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.574 ' H ' ' C ' ' C' ' 38' ' ' PRO . 30.6 mt-30 -146.76 56.96 1.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.49 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -147.74 151.68 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -143.11 108.74 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 mt -103.08 128.06 50.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mt -130.7 149.33 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.564 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.552 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 56.3 t80 -155.74 -178.58 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.508 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . 0.552 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -41.11 -21.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.41 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -105.67 64.9 0.29 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . 0.432 ' HB3' ' H ' ' C' ' 49' ' ' GLN . 24.4 mmtp 42.07 -147.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 110.658 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . 0.432 ' H ' ' HB3' ' C' ' 48' ' ' LYS . 25.6 tt0 -87.91 140.87 29.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.447 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.0 mt -89.26 121.73 31.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.661 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -73.65 159.0 33.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.677 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.68 97.64 9.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.39 -55.13 0.44 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -48.39 173.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.777 0.323 . . . . 0.0 110.502 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 11.9 p -113.57 155.83 24.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 81.9 mt -58.6 -14.49 8.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.535 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 13.2 t -78.4 -37.62 43.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.582 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.88 -37.57 74.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -91.2 19.82 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.612 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' C' ' 60' ' ' ASN . 19.1 p30 42.14 33.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.842 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 60.1 mt -72.54 101.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.458 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -80.82 -167.96 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.735 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -74.69 159.83 31.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 58.94 32.38 22.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.791 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 39.7 m -90.67 126.88 36.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.469 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 6.3 m -90.21 107.57 19.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.609 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 mt -91.63 128.14 37.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.484 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -79.91 107.33 12.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.5 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . 0.419 HD11 ' H ' ' C' ' 70' ' ' VAL . 61.3 tp -97.62 139.32 33.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.646 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.419 ' H ' HD11 ' C' ' 69' ' ' LEU . 17.4 t -142.79 136.48 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.476 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mt -86.24 149.22 25.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.66 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . 0.474 ' O ' ' CG ' ' A' ' 548' ' ' ASP . 40.2 ttm180 -63.87 -56.78 12.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' C' ' 74' ' ' ARG . 0.2 OUTLIER -175.84 90.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.499 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . 0.521 ' HE ' ' CD2' ' A' ' 510' ' ' LEU . 53.8 mtt-85 54.65 107.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.523 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.0 142.44 10.84 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 66.4 mt -83.86 -13.52 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.721 0.296 . . . . 0.0 110.434 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -70.01 -42.06 73.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.664 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.483 ' C ' ' H ' ' A' ' 499' ' ' GLY . 48.3 m-85 -46.86 -59.92 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -53.9 -9.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.597 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -72.16 -15.79 76.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 46.5 t -146.95 -55.19 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.8 0.334 . . . . 0.0 110.597 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 55.6 tttm 61.08 86.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.523 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.558 ' N ' ' OD1' ' A' ' 502' ' ' ASN . 4.4 p-10 -134.48 -169.88 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -82.5 9.61 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.698 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -89.81 -49.72 6.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.04 0.448 . . . . 0.0 110.103 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 50.2 t -48.84 -49.42 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.257 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.1 tp -72.56 -36.57 68.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.502 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -60.1 -9.55 11.61 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.5 mp -120.53 -40.14 2.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 110.714 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 510' ' ' LEU . 7.2 mp -67.93 -66.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.499 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.6 tp -37.37 -62.21 0.62 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.87 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.499 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.12 -55.15 3.9 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.573 2.182 . . . . 0.0 111.721 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 73.3 mt -52.23 -14.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.46 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 511' ' ' PRO . . . -132.15 32.68 3.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.519 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -162.46 -33.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.725 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.57 ' C ' HH12 ' B' ' 42' ' ' ARG . 3.8 p -30.03 -79.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.666 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.555 ' OG1' ' NH1' ' B' ' 42' ' ' ARG . 1.9 m -171.06 -71.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.764 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -127.32 73.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.789 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.2 mm? -105.0 151.88 39.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.203 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.28 107.3 0.1 OUTLIER 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.773 2.315 . . . . 0.0 111.922 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 26.2 pt -69.71 -6.57 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.692 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -77.85 -46.64 20.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 10.1 m -87.21 -32.83 19.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.625 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -59.4 -38.47 80.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.587 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.75 -53.03 34.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 21.1 mmt -64.16 -42.21 96.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -56.44 -59.67 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.583 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 14.8 m -44.59 -52.45 8.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.495 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . 0.42 ' C ' ' CD1' ' A' ' 528' ' ' LEU . 0.2 OUTLIER -54.95 -62.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.73 -36.93 12.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.512 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.8 tt -56.98 -56.69 18.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.525 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.8 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -48.88 -42.94 38.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.609 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.502 ' C ' ' H ' ' A' ' 535' ' ' VAL . 83.5 t -77.66 -56.48 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.544 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -75.76 24.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.502 ' H ' ' C ' ' A' ' 533' ' ' VAL . 12.1 p -55.97 -39.45 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -76.44 -80.72 0.6 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.72 127.23 32.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.478 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.414 ' C ' ' ND2' ' A' ' 539' ' ' ASN . 4.3 p -126.63 -177.99 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.414 ' ND2' ' C ' ' A' ' 538' ' ' CYS . 7.6 m-80 -151.58 164.96 35.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.443 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -76.02 -38.43 35.43 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -46.66 -56.07 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.564 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.2 mt -44.39 -46.33 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.595 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 544' ' ' THR . 41.5 m -67.75 -65.52 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.477 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 543' ' ' THR . 67.3 p -39.01 -44.79 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.549 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 23.0 m -66.92 -53.53 31.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.098 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.07 -31.51 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.126 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.2 mmt -69.51 -44.16 71.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.383 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.454 ' OD1' ' NH2' ' C' ' 42' ' ' ARG . 45.8 m-20 -51.28 -36.09 40.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.222 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -72.63 -45.99 56.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.392 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -47.74 -63.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.427 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 551' ' ' LEU . 10.8 mp -51.55 -40.42 59.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.436 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.567 ' O ' ' O ' ' A' ' 553' ' ' ARG . 0.3 OUTLIER -78.39 -95.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.531 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.567 ' O ' ' O ' ' A' ' 552' ' ' GLU . 18.0 ttm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 10.3 t0 . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.903 0.383 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -179.7 -14.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.56 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.2 p -72.11 -10.24 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.624 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -68.8 -71.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.682 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -70.27 -43.47 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.726 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 51.0 tp -50.83 -47.2 60.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.594 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -62.44 -63.92 1.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.668 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 23.8 mt -43.94 -35.86 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.578 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -58.67 -71.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 56.7 tp -42.5 -23.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -77.58 -76.78 0.86 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 16.0 pt -47.46 -19.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.598 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 571' ' ' GLY . 30.0 tp -56.38 -48.0 77.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.445 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -92.06 129.94 37.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.3 ttt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.794 0.331 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -48.06 -59.73 3.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.535 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 98.0 t -56.72 -51.36 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.539 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -44.49 -32.85 1.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.577 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.89 -56.58 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 90.8 t -46.21 -49.87 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 11.0 mp -54.22 -46.73 72.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.468 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -47.99 -33.76 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.388 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 17.9 m -70.21 -50.41 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.412 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 62.7 mt -48.88 -38.52 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.492 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 3.6 m -73.84 -35.3 64.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.5 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -49.34 -43.84 44.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.435 ' O ' ' O ' ' A' ' 592' ' ' GLU . 7.1 pt -103.45 154.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.497 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 6.5 mp0 -59.36 -124.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.479 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 1.8 m-70 60.83 76.16 0.43 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.76 7.17 2.88 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.022 2.482 . . . . 0.0 111.862 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 20.6 mmt -79.29 -18.69 52.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.504 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 4.1 p -85.49 -3.41 58.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.536 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 8.0 t -45.99 -45.77 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.584 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.32 -40.64 78.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.577 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . 0.528 ' CD1' ' N ' ' A' ' 599' ' ' ILE . 1.7 mp -71.39 -34.4 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -69.44 -49.61 53.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.601 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 82.7 t -53.74 -67.97 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.556 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 48.7 mt -46.96 -73.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.484 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 41.4 t -50.1 -18.24 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -76.93 -63.69 2.25 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 10.5 m -47.64 -68.83 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 110.546 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 90.4 m -80.55 118.29 22.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.53 ' N ' ' O ' ' B' ' 17' ' ' VAL . 26.5 ttp . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -84.85 124.24 31.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.617 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -125.28 150.52 30.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -106.1 138.33 42.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.673 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -116.5 104.14 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.089 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -81.4 130.91 35.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.415 ' C ' ' H ' ' B' ' 9' ' ' THR . 59.4 p -93.88 154.74 17.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.255 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 tp -71.02 48.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.504 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.415 ' H ' ' C ' ' B' ' 7' ' ' THR . 73.2 p -150.02 -55.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.548 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.74 -13.33 0.14 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -77.25 152.89 34.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -137.28 107.05 6.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.424 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -90.15 135.92 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -105.37 129.03 53.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.238 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -128.34 133.54 48.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.824 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -89.4 107.67 19.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.185 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.5 m -131.5 -163.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.986 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.427 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.3 mt-10 -141.82 176.45 2.4 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.129 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.2 Cg_exo -74.5 -25.41 12.99 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.715 2.276 . . . . 0.0 112.24 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.67 5.15 47.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.676 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.53 139.16 38.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.566 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.9 p -87.06 142.43 27.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.773 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 mm -49.15 -49.37 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.268 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -49.28 -41.31 37.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.265 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -62.21 -44.75 95.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.164 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.75 -51.24 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.146 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -53.05 -34.07 54.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.095 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.62 93.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.19 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -63.37 -34.99 78.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.343 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.1 mt -69.41 -40.4 79.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.393 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -62.95 -35.46 80.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.407 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -74.54 -21.89 59.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -83.55 -60.36 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -92.5 -92.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.566 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.3 20.76 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.563 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 57.9 mt -93.51 104.04 11.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.689 0.28 . . . . 0.0 110.522 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.72 142.04 7.81 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.609 2.206 . . . . 0.0 111.832 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.05 -64.83 0.22 Allowed 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.792 2.328 . . . . 0.0 112.156 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.474 ' CB ' HE22 ' B' ' 40' ' ' GLN . 1.4 m-20 -38.57 -36.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.488 ' CD ' ' N ' ' B' ' 40' ' ' GLN . 2.7 mp0 -93.57 59.06 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.727 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.563 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 60.8 mt-30 -157.52 153.22 26.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.644 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.57 HH12 ' C ' ' A' ' 515' ' ' SER . 31.0 ttp180 -143.9 104.1 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.307 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.3 mt -85.14 111.26 19.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.813 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mm -111.68 146.64 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.285 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -151.78 115.07 4.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.426 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.99 22.41 13.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.428 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.31 25.54 43.31 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -124.81 131.8 53.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.634 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -82.72 120.1 25.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.487 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -83.05 88.41 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.369 . . . . 0.0 110.537 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -52.45 158.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.607 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -71.73 173.32 8.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.524 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 77.02 -58.79 3.56 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' B' ' 53' ' ' GLY . 17.6 mmt180 -45.44 173.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 110.569 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 64.5 p -120.14 164.09 16.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.675 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.83 -21.77 66.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.433 ' C ' ' H ' ' B' ' 59' ' ' TYR . 15.6 t -75.91 -28.26 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.727 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -73.21 8.17 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.433 ' H ' ' C ' ' B' ' 57' ' ' SER . 65.5 m-85 -136.84 22.2 3.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' B' ' 59' ' ' TYR . 5.7 p-10 42.09 37.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.737 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.6 mt -84.32 99.36 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.352 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -80.66 -161.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -81.21 161.25 24.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.776 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 55.65 37.9 29.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.895 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 73.8 m -93.37 138.01 32.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.433 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -94.98 102.6 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.671 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -88.88 119.14 29.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -78.15 102.57 7.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.645 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 14.9 tp -87.21 110.14 19.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.525 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.406 ' HB ' ' HE ' ' B' ' 42' ' ' ARG . 2.0 t -111.26 156.86 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.476 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 74.1 mt -88.72 124.98 34.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.473 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.697 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.517 ' N ' ' O ' ' C' ' 17' ' ' VAL . 24.8 ttp . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -83.89 111.81 19.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.683 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 pt -115.21 152.49 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.624 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -104.74 150.53 24.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.518 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' C' ' 13' ' ' ILE . 41.1 t -128.74 100.31 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.15 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -84.1 114.08 21.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.631 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' THR . . . . . 0.409 ' HG1' ' H ' ' C' ' 10' ' ' GLY . 10.6 p -76.34 144.39 40.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 36.4 tp -64.87 -15.29 61.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.522 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 19.9 p -80.62 -61.12 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . 0.409 ' H ' ' HG1' ' C' ' 7' ' ' THR . . . 160.09 78.23 0.03 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -173.55 162.95 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 30.1 m -139.01 96.51 3.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.448 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' C' ' 5' ' ' VAL . 0.0 OUTLIER -83.78 135.49 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 -179.886 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 8.6 m -106.54 98.6 8.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.151 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' C' ' 15' ' ' LEU . 10.4 mp -101.69 133.62 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.042 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -90.77 113.93 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.053 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.6 m -136.97 -162.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.109 0.48 . . . . 0.0 110.971 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.535 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 22.4 mt-10 -146.47 148.54 34.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.085 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.16 -49.06 8.99 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.858 2.372 . . . . 0.0 112.462 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.433 ' O ' ' C ' ' C' ' 21' ' ' ASP . 0.7 OUTLIER -57.8 -40.55 80.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.171 -179.641 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 25.3 m-20 -36.8 145.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.892 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 41.5 p -93.71 147.83 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 37.2 mm -50.92 -42.63 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.502 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -54.37 -46.99 73.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.433 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -60.09 -37.46 80.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.407 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.7 t -63.21 -52.14 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.325 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . 0.407 ' HZ1' ' HG ' ' C' ' 43' ' ' LEU . 30.2 mttp -51.59 -42.12 61.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.089 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.34 -46.82 87.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.236 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -55.5 -46.46 76.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.263 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 15.5 mt -58.03 -46.42 87.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.367 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -55.92 -30.54 61.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.358 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -71.07 -42.69 69.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.472 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -67.5 -54.03 23.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.37 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -97.06 -106.13 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.505 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.55 13.85 0.02 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.53 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 42.0 mt -76.41 114.41 37.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.659 0.266 . . . . 0.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.2 134.86 15.3 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.571 2.181 . . . . 0.0 111.883 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.543 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.25 -42.68 21.86 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.76 2.307 . . . . 0.0 112.017 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -73.24 26.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.701 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.543 ' H ' ' C ' ' C' ' 38' ' ' PRO . 62.5 mt-30 -154.18 52.42 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.527 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 65.3 mt-30 -150.09 95.72 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.833 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . 0.454 ' NH2' ' OD1' ' A' ' 548' ' ' ASP . 56.1 mtm180 -89.56 102.92 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.234 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.407 ' HG ' ' HZ1' ' C' ' 27' ' ' LYS . 3.5 mt -89.88 129.45 36.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.988 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . 0.447 HD13 HG23 ' C' ' 44' ' ' ILE . 87.8 mt -127.49 132.72 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.133 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 71.3 t80 -139.85 167.55 21.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.788 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . 0.603 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -40.55 89.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.57 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 149.11 -62.02 0.42 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . 0.608 ' CD ' ' H ' ' C' ' 49' ' ' GLN . 6.1 tmtp? 178.28 -151.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.616 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . 0.608 ' H ' ' CD ' ' C' ' 48' ' ' LYS . 7.2 tt0 -93.72 144.49 25.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.476 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -89.09 131.28 35.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.661 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' C' ' 51' ' ' GLU . 5.5 mp0 -101.87 158.27 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.542 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -64.69 164.28 12.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.611 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 80.09 -64.15 3.99 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' C' ' 53' ' ' GLY . 16.3 mmt180 -42.81 168.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.573 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 82.6 p -115.64 161.85 18.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.37 -7.62 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.525 ' HG ' ' N ' ' C' ' 58' ' ' ASP . 89.7 p -85.83 -41.34 15.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.673 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . 0.525 ' N ' ' HG ' ' C' ' 57' ' ' SER . 2.0 m-20 -55.48 -10.86 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.768 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.406 ' H ' ' C ' ' C' ' 57' ' ' SER . 84.7 m-85 -112.67 -3.67 14.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.614 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 m120 64.94 21.33 12.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.771 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.16 109.9 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.395 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -86.01 -160.01 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -84.32 158.23 21.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 56.73 34.58 24.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 26.1 m -90.89 135.77 33.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.512 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -89.0 110.24 20.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.636 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mp -95.17 111.51 23.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.472 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -72.35 103.37 3.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.44 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 10.8 tp -91.81 116.94 29.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.575 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 67.9 t -108.64 131.33 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.441 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 mt -84.79 151.56 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.686 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -90.42 75.07 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.401 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 30.4 tp 55.08 92.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.425 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 55.09 176.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.523 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.09 -162.24 29.65 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 65.7 mt -73.48 -8.85 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 110.558 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -79.28 -77.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -86.85 25.57 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.683 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -40.97 -74.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.586 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -112.82 86.23 0.42 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 72.5 m -164.82 -41.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.692 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp 59.39 83.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -86.64 -100.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.655 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -172.23 -32.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -71.13 -15.81 62.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.024 0.44 . . . . 0.0 110.162 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.32 -68.01 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.241 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.412 ' O ' ' HD2' ' A' ' 511' ' ' PRO . 6.1 mt -70.69 -20.11 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.421 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.66 -20.1 65.71 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 6.7 mp -118.82 -39.54 2.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 0.0 110.761 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.83 -61.75 1.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.119 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 0.9 OUTLIER -42.6 -60.31 2.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.754 -179.614 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.64 -53.35 6.22 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.497 2.131 . . . . 0.0 111.669 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.403 HG23 HD12 ' A' ' 512' ' ' ILE . 75.9 mt -54.6 -15.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.317 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -138.06 27.08 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -145.79 -36.06 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.726 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.453 ' O ' ' OG1' ' A' ' 516' ' ' THR . 16.9 t -36.97 -62.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.605 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 515' ' ' SER . 94.9 m -168.72 -59.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.455 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' A' ' 518' ' ' LEU . 15.3 t70 -131.18 -75.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.598 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.2 mm? 56.1 149.53 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.514 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.06 118.79 2.13 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.772 2.314 . . . . 0.0 111.937 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 20.3 pt -72.77 -13.42 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.662 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -77.58 -25.6 50.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 7.4 m -98.75 -22.54 15.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.522 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -73.2 -53.74 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.523 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -44.11 -53.89 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.601 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 40.2 mtt -60.03 -53.64 55.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.59 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -47.13 -52.26 15.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.578 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.5 t -47.26 -54.62 10.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.586 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 5.9 tp -46.84 -43.25 18.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.54 -43.51 72.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.593 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.56 -29.65 70.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.05 -68.35 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.59 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -45.38 -33.76 2.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.6 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.55 ' C ' ' H ' ' A' ' 535' ' ' VAL . 93.8 t -79.59 -73.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -72.3 30.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.666 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.55 ' H ' ' C ' ' A' ' 533' ' ' VAL . 10.5 p -49.86 -43.69 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.497 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -91.51 -67.09 1.15 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 28.8 m -53.38 117.58 3.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 47.3 t -109.62 145.25 36.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -147.95 136.92 22.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -61.85 -44.88 97.26 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -45.28 -49.26 12.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.608 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.3 mt -55.97 -43.72 75.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 8.8 m -64.83 -60.0 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.612 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 74.7 p -45.17 -53.61 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.51 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 31.2 m -55.6 -47.28 76.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.979 0.418 . . . . 0.0 110.131 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -28.62 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.293 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.3 tpt -74.74 -41.53 59.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.418 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -53.85 -52.0 61.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.359 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -61.51 -30.86 70.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.248 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . 0.627 ' CE1' ' NH2' ' A' ' 553' ' ' ARG . 19.3 t80 -69.44 -25.76 64.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.364 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 37.1 tp -90.7 -44.18 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.527 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.63 -4.96 7.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.627 ' NH2' ' CE1' ' A' ' 550' ' ' PHE . 29.8 ttm180 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.44 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.817 0.341 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -174.92 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.602 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.46 -12.1 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -75.97 -77.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.578 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -52.07 -31.28 29.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.547 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.93 -48.85 78.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.93 -62.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.581 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 568' ' ' LEU . 10.3 mp -42.58 -47.69 5.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.475 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.509 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -49.49 -64.16 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.53 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 60.8 mt -57.0 -5.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -90.33 -71.58 1.24 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 11.9 pt -64.98 -4.81 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 tp -61.18 -58.75 7.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.515 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -80.55 125.3 29.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.566 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 575' ' ' MET . 1.6 tmt? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.854 0.359 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -45.43 -42.77 10.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.9 -49.7 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.591 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -48.19 -38.09 17.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.72 -36.13 75.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.45 -52.87 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 47.0 mt -55.69 -35.16 65.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.89 -38.59 91.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.524 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 7.1 m -68.73 -54.87 13.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 99.5 mt -44.26 -45.69 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.522 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.1 m -60.99 -38.32 85.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.496 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -55.81 -28.89 58.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.402 HG22 HD12 ' A' ' 591' ' ' ILE . 6.8 mm -86.61 155.37 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.591 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -73.18 -146.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.419 ' C ' ' H ' ' A' ' 595' ' ' MET . 6.7 m170 44.78 75.61 0.63 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.4 18.32 0.59 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.941 2.428 . . . . 0.0 111.962 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.419 ' H ' ' C ' ' A' ' 593' ' ' HIS . 20.4 ttt -77.85 -20.82 52.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 599' ' ' ILE . 5.8 t -71.05 -2.93 17.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 65.3 p -40.53 -29.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.603 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.16 98.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 596' ' ' THR . 55.4 mt -77.31 -27.25 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.554 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.05 -40.4 96.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.71 -33.79 27.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.41 ' C ' ' CD1' ' A' ' 602' ' ' LEU . 0.2 OUTLIER -62.61 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 13.1 t -65.12 -18.88 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.562 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -67.67 -72.32 0.81 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 51.0 p -48.48 -53.45 17.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.337 . . . . 0.0 110.588 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 8.1 m -80.7 123.68 28.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.63 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.559 ' N ' ' O ' ' B' ' 17' ' ' VAL . 23.6 ttp . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -75.93 105.73 7.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.581 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.2 pt -109.74 150.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -105.2 143.67 33.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.666 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -127.38 103.21 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.364 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -75.19 139.55 42.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.702 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -106.57 152.66 23.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.375 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.51 64.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -165.82 -51.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.514 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.94 -6.21 0.43 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -88.44 156.64 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.614 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.8 m -136.98 118.22 14.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.515 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 mt -96.6 128.41 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -104.2 117.21 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.351 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.579 ' CD2' ' NZ ' ' B' ' 33' ' ' LYS . 15.0 mt -118.41 136.03 54.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -88.08 102.35 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.303 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.559 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.7 m -121.84 -165.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.71 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.559 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 23.8 mt-10 -147.61 150.24 36.19 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.335 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.41 -28.72 4.16 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.893 2.396 . . . . 0.0 112.347 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.62 15.41 6.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.904 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.559 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 1.4 m-20 -92.91 134.75 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.486 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.562 ' HG1' ' H ' ' B' ' 25' ' ' ASN . 25.8 p -82.67 147.27 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.765 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 24.2 mm -54.26 -41.34 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.158 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.454 ' CG ' ' OG1' ' B' ' 22' ' ' THR . 9.6 pt-20 -55.65 -41.4 73.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.17 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.657 HD22 ' NZ ' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -62.8 -47.02 85.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.237 179.713 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.78 -53.52 36.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.295 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -50.76 -36.24 35.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.083 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.33 85.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.123 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.657 ' NZ ' HD22 ' B' ' 25' ' ' ASN . 51.6 mttp -57.59 -43.19 84.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.202 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 13.8 mt -59.52 -45.8 93.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.294 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -56.8 -35.66 69.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.308 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 4.7 m-20 -65.06 -44.28 89.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.44 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.579 ' NZ ' ' CD2' ' B' ' 15' ' ' LEU . 1.2 mptm? -67.16 -63.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.41 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -86.16 -117.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.565 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -171.27 18.79 0.06 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.46 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 54.6 mt -88.29 108.63 23.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.642 0.258 . . . . 0.0 110.566 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.86 140.74 9.53 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.705 2.27 . . . . 0.0 111.934 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.42 -43.86 21.41 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.749 2.299 . . . . 0.0 112.084 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.433 ' CB ' HE22 ' B' ' 40' ' ' GLN . 2.1 m-20 -60.64 -32.5 71.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' B' ' 40' ' ' GLN . 1.9 mp0 -92.31 52.92 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -144.81 161.6 38.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.631 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.495 ' NE ' ' OE1' ' B' ' 49' ' ' GLN . 70.1 ttt180 -157.24 92.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.529 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.89 117.54 17.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.611 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -111.22 146.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -160.72 129.95 4.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.63 38.92 29.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.51 38.62 96.1 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -145.82 129.25 16.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.592 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.495 ' OE1' ' NE ' ' B' ' 42' ' ' ARG . 35.9 tt0 -80.77 129.87 34.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.8 113.1 21.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.558 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -72.44 158.98 34.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.562 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.0 163.01 28.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.462 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 87.1 -64.21 3.9 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' B' ' 53' ' ' GLY . 20.1 mmt180 -42.52 168.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 110.526 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.9 p -113.21 168.37 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.8 mt -68.92 -17.37 63.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.522 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.405 ' C ' ' H ' ' B' ' 59' ' ' TYR . 92.8 p -77.64 -24.57 49.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.541 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' B' ' 58' ' ' ASP . 2.2 m-20 -78.18 15.41 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.62 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.405 ' H ' ' C ' ' B' ' 57' ' ' SER . 77.5 m-85 -140.92 3.08 1.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.498 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' B' ' 60' ' ' ASN . 0.3 OUTLIER 65.65 15.97 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.776 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.46 98.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.444 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -79.68 -157.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.703 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -86.29 162.7 18.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.714 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 58.57 18.01 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.734 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -66.46 166.59 12.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.364 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 39.1 m -128.38 98.31 5.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.559 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.09 122.54 29.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -82.81 97.58 8.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 5.1 tp -73.91 127.58 33.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.73 160.95 42.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.634 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.436 ' CD2' ' N ' ' B' ' 71' ' ' LEU . 4.2 mm? -103.86 125.15 50.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.614 -179.923 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.569 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -97.23 112.39 24.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.603 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.6 pt -108.21 157.56 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.792 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -114.66 137.31 52.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.585 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 83.9 t -113.22 107.89 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.415 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -92.32 125.83 37.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.67 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -89.37 142.01 28.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.412 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.91 -48.83 51.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.484 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 57.8 p -51.2 -69.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.42 80.38 0.03 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -172.62 122.2 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 110.565 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 10.2 m -102.65 137.08 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.59 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -124.97 128.48 73.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.616 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 6.5 m -92.75 116.39 28.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.315 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -126.5 134.23 50.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.769 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -84.99 120.55 26.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.4 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.569 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.2 m -138.17 -176.43 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.704 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.49 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.9 mm-40 -132.79 176.75 2.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.244 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -75.06 -26.18 11.06 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.783 2.322 . . . . 0.0 111.928 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -89.62 1.4 56.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.49 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 9.1 m-20 -70.79 133.03 46.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.514 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.4 p -87.05 143.24 27.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.666 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -46.64 -53.91 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.375 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -48.58 -35.42 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.326 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -66.1 -42.26 89.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.261 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.44 -51.4 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.332 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -52.02 -38.87 58.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.236 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.56 94.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.3 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.44 -38.38 77.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.402 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 7.5 mt -68.92 -36.48 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.388 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.437 ' OE1' ' O ' ' C' ' 36' ' ' ILE . 44.6 tp60 -63.45 -32.82 74.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.463 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.76 -36.29 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.568 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -72.57 -66.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -82.88 -99.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.25 19.04 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.565 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 73.1 mt -88.78 118.08 68.95 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.651 0.262 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.9 135.14 14.09 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.606 2.204 . . . . 0.0 111.957 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.18 -50.63 9.74 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.788 2.325 . . . . 0.0 111.942 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -53.64 -37.63 63.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -88.81 54.25 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.668 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.565 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 62.7 mt-30 -153.94 100.24 2.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.673 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -98.2 101.74 13.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.427 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.3 130.25 34.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.59 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mt -133.21 145.16 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.553 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 55.9 t80 -129.53 176.14 8.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . 0.553 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -39.94 -24.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -86.24 -91.03 0.92 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -146.98 -146.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.341 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -90.31 141.41 28.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.497 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mt -90.1 111.78 23.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.543 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -73.1 157.75 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -74.1 115.62 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.477 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 131.02 -61.69 0.66 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.7 mmt180 -44.36 171.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.496 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.491 ' HG1' ' H ' ' C' ' 57' ' ' SER . 3.1 p -112.99 166.39 11.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.584 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.71 -18.71 65.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.59 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.491 ' H ' ' HG1' ' C' ' 55' ' ' THR . 29.1 p -83.81 -6.39 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.612 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -88.81 -5.93 57.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -123.51 15.77 9.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.52 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 27.7 m120 58.61 15.61 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.88 91.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.434 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -73.41 -161.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.742 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -82.59 159.58 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.749 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 57.69 32.68 22.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 30.3 m -88.01 133.28 33.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 20.1 m -94.39 101.75 13.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -83.29 171.24 13.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.607 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -125.77 108.67 11.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.364 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' C' ' 69' ' ' LEU . 6.3 tt -92.85 124.28 36.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.542 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.414 ' N ' HD22 ' C' ' 69' ' ' LEU . 67.6 t -122.69 104.45 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.469 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.89 155.24 29.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -68.33 -24.57 64.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 177.65 177.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -47.49 120.08 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.53 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.35 162.46 0.97 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 71.4 mt -84.78 -11.48 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.749 0.309 . . . . 0.0 110.568 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -70.87 -43.72 67.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.515 ' C ' ' H ' ' A' ' 499' ' ' GLY . 55.4 m-85 -48.48 -48.81 37.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -50.4 -10.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.582 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -82.02 -28.61 40.85 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 80.2 p -174.55 99.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 110.568 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -72.61 53.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.522 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 6.4 t-20 -66.68 -172.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . 0.522 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 12.8 m-20 -84.12 14.18 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.552 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -86.42 -35.97 19.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.287 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.92 -69.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.398 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 508' ' ' LEU . 9.4 mt -67.09 -42.32 84.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.59 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -41.09 -25.93 0.15 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 506' ' ' LEU . 43.1 mt -114.32 -40.2 3.7 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.031 -0.267 . . . . 0.0 110.995 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 510' ' ' LEU . 5.6 mp -63.28 -57.07 11.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.754 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.64 ' O ' ' N ' ' A' ' 514' ' ' ALA . 1.2 mm? -39.97 -67.32 0.29 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.579 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.93 -57.74 2.03 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.739 2.292 . . . . 0.0 111.951 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.3 mt -57.18 -11.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.741 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -147.27 34.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.704 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.64 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -159.96 -36.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.673 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.504 ' O ' ' OG1' ' A' ' 516' ' ' THR . 2.7 t -35.91 -55.06 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.472 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.504 ' OG1' ' O ' ' A' ' 515' ' ' SER . 7.0 m -170.19 -63.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.441 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' A' ' 518' ' ' LEU . 74.9 m-20 -132.27 -69.21 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.451 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.597 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.3 mm? 56.25 150.96 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.48 107.31 0.1 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.762 2.308 . . . . 0.0 112.0 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 13.3 pt -65.88 -15.53 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -66.84 -80.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.528 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 31.0 p -51.98 -45.92 64.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.52 -41.56 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -48.04 -52.99 17.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 28.6 mtt -64.36 -41.9 96.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.613 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.66 -44.74 66.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.517 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 16.5 m -63.96 -31.55 72.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.577 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -42.79 92.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.521 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.8 64.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.59 -49.07 27.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.527 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -73.67 -53.18 10.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.509 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -46.32 -30.03 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.526 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.487 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.5 t -88.87 -48.66 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.572 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -75.56 18.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.487 ' H ' ' C ' ' A' ' 533' ' ' VAL . 13.4 p -53.79 -30.42 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.544 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -94.24 -61.47 1.08 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 70.0 p -57.7 -168.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.6 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.446 ' O ' ' ND2' ' A' ' 539' ' ' ASN . 41.3 t -168.6 143.57 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 20.7 m120 -160.78 138.67 9.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.564 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.87 -36.33 42.29 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -45.82 -44.65 14.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.521 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 95.7 mt -57.22 -61.49 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.539 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.404 ' OG1' ' OH ' ' A' ' 574' ' ' TYR . 8.2 m -44.77 -53.13 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.503 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.51 ' HG1' ' N ' ' A' ' 545' ' ' SER . 47.2 p -56.62 -39.85 74.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.418 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.51 ' N ' ' HG1' ' A' ' 544' ' ' THR . 7.0 m -63.17 -50.39 70.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 0.0 110.02 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -31.35 52.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.222 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.38 -46.45 60.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.455 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 544' ' ' THR . 63.0 m-20 -52.36 -36.37 53.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -74.05 -40.55 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.598 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -53.11 -62.46 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.539 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 31.3 mt -57.57 -59.98 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 553' ' ' ARG . 86.2 mt-10 -48.75 -80.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 552' ' ' GLU . 28.0 ttp180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.852 0.358 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -172.02 -39.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.587 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.73 -14.18 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -67.37 -77.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.63 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -56.83 -49.34 75.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 10.3 tp -47.61 -49.25 27.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -58.17 -61.74 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.586 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 571' ' ' GLY . 83.7 mt -42.01 -56.8 2.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -41.13 -68.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.61 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 47.9 tp -46.07 -23.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.505 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.499 ' C ' ' H ' ' A' ' 573' ' ' LEU . . . -82.23 -77.55 1.05 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.3 pt -53.54 -8.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 110.601 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' A' ' 571' ' ' GLY . 19.8 tp -49.97 -58.76 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.485 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.404 ' OH ' ' OG1' ' A' ' 543' ' ' THR . 97.6 m-85 -84.42 -175.96 6.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.615 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 24.1 ttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.835 0.35 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 581' ' ' VAL . 12.6 pt20 -48.15 -42.12 28.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' A' ' 580' ' ' GLN . 87.4 t -60.88 -43.46 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.13 -43.47 61.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.26 -55.11 23.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 95.9 t -42.56 -59.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 10.0 mp -48.24 -39.99 23.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.404 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -54.3 -40.6 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.318 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.458 ' HG1' ' CE1' ' C' ' 68' ' ' HIS . 4.1 m -61.8 -59.91 4.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.386 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 89.8 mt -43.82 -31.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.328 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 7.8 t -88.89 -31.3 18.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.393 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -47.09 -39.19 12.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.436 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 4.4 pt -84.64 123.47 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.463 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.434 ' N ' ' CD ' ' A' ' 592' ' ' GLU . 12.1 mp0 -54.19 164.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.46 ' O ' ' SD ' ' A' ' 595' ' ' MET . 13.9 m170 53.0 72.81 1.06 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.534 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.86 96.56 1.06 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.979 2.453 . . . . 0.0 111.861 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.46 ' SD ' ' O ' ' A' ' 593' ' ' HIS . 0.0 OUTLIER -76.91 -24.58 52.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 599' ' ' ILE . 26.9 p -85.7 2.18 46.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.534 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 596' ' ' THR . 31.7 t -33.78 -40.41 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.698 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -52.3 -50.15 62.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . 0.532 ' CD1' ' N ' ' A' ' 599' ' ' ILE . 1.8 mp -70.1 -36.2 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.413 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -51.31 -43.75 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.468 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 55.4 t -71.84 -38.3 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 14.9 tp -57.04 -73.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 62.5 t -47.37 -52.84 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -45.79 -50.4 11.57 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 24.1 p -51.96 -32.24 32.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.468 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 55.4 m -85.31 -170.58 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.488 ' N ' ' O ' ' B' ' 17' ' ' VAL . 29.2 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -101.47 111.38 23.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.678 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 pt -112.89 153.46 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.6 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -109.6 157.03 19.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 74.4 t -132.55 107.22 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -88.61 123.08 32.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.486 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 44.1 p -72.78 -140.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -134.43 38.82 3.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 40.8 p -147.44 -26.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.76 -4.25 3.58 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -85.47 143.3 28.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.806 0.336 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -134.61 137.91 44.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -110.42 173.58 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 16.8 m -142.5 97.3 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.425 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' B' ' 15' ' ' LEU . 10.5 mp -102.97 144.08 31.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -97.18 123.48 40.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.305 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' B' ' 1' ' ' MET . 6.0 m -145.96 -164.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.817 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.529 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 4.6 mt-10 -146.03 147.74 33.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.307 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.28 -16.98 0.17 Allowed 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.826 2.351 . . . . 0.0 112.261 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.417 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -88.08 -27.41 21.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.798 -179.804 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.529 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -50.1 141.4 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.704 -179.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.9 p -94.11 139.85 30.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.588 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.6 mm -40.58 -50.41 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -50.34 -44.65 54.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.548 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -60.52 -40.26 90.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.476 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.18 -57.29 12.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.312 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -47.1 -41.99 18.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.326 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.35 90.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.446 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -57.44 -35.63 70.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.485 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 6.5 mt -68.41 -48.7 71.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.381 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.98 -31.54 60.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.485 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -77.3 -27.33 52.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.513 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -78.42 -59.89 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -93.32 -106.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.553 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.75 10.94 0.05 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 21.5 mt -83.63 119.81 74.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.687 0.28 . . . . 0.0 110.505 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -72.69 146.46 43.36 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.709 2.273 . . . . 0.0 111.971 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.551 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.08 -60.41 0.87 Allowed 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.859 2.373 . . . . 0.0 111.964 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -44.21 -15.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.674 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' B' ' 38' ' ' PRO . 58.7 mm-40 -119.92 40.3 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.503 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' B' ' 38' ' ' PRO . 70.5 mt-30 -133.39 153.57 51.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.56 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -155.74 89.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.464 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.62 126.09 31.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.52 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 28.0 mt -127.18 134.8 65.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.502 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -143.87 143.71 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.594 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.1 27.96 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.522 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.27 33.71 73.78 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -144.23 130.72 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.783 0.325 . . . . 0.0 110.573 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' B' ' 50' ' ' LEU . 19.6 tm0? -74.44 131.96 41.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.465 ' O ' ' NE2' ' B' ' 49' ' ' GLN . 22.1 mt -81.69 107.5 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.554 ' H ' ' HH ' ' B' ' 59' ' ' TYR . 28.1 mt-10 -70.05 150.6 46.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.475 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.36 151.21 45.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.89 -55.75 1.88 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -53.22 170.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.741 0.305 . . . . 0.0 110.708 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 41.4 p -108.45 168.43 9.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.634 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.4 -34.74 78.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.621 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.57 ' C ' ' H ' ' B' ' 59' ' ' TYR . 60.7 p -60.85 -30.8 70.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.65 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.527 ' O ' ' CD1' ' B' ' 59' ' ' TYR . 2.0 m-20 -72.6 25.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.57 ' H ' ' C ' ' B' ' 57' ' ' SER . 74.0 m-85 -154.67 11.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.462 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.2 m120 54.25 27.46 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.2 mt -76.28 93.32 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -78.74 -157.59 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.596 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -84.88 158.31 20.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.729 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 57.64 35.32 25.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.793 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.5 m -93.17 136.24 33.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.529 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -89.72 109.01 20.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.538 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mp -89.3 112.45 23.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -72.82 98.83 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 19.4 tp -85.4 114.3 22.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.554 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -119.4 159.09 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.655 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 36.6 mt -94.41 118.88 32.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.49 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.53 ' N ' ' O ' ' C' ' 17' ' ' VAL . 30.0 ttp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -97.02 123.28 40.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.552 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 6.3 pt -127.72 151.57 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.64 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . 0.411 ' O ' HD13 ' C' ' 67' ' ' LEU . 96.6 m-85 -106.18 148.54 27.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.612 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 64.6 t -133.68 110.93 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.425 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -93.44 130.02 39.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.593 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 81.5 p -95.43 141.92 28.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.447 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.28 -46.96 25.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 34.6 p -52.22 -44.84 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.49 83.92 0.4 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -174.49 123.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.609 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -97.95 140.8 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -130.79 131.5 64.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -101.08 120.45 40.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.423 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -120.24 134.45 55.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.791 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' C' ' 16' ' ' GLU . 15.6 mp0 -91.22 87.37 6.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.7 m -111.87 -163.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.729 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.446 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 14.2 mt-10 -148.64 153.47 39.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.344 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.02 -46.49 13.13 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.924 2.416 . . . . 0.0 112.363 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.449 ' O ' ' C ' ' C' ' 21' ' ' ASP . 1.2 p -59.67 -45.47 91.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.9 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 1.9 m-20 -33.96 138.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.794 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 2.4 p -91.45 145.18 24.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.606 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 19.9 mm -44.01 -52.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.409 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -49.35 -40.49 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.352 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -61.81 -41.74 98.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.184 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.01 -49.0 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.252 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' C' ' 41' ' ' GLN . 68.6 mttm -53.23 -38.1 62.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.271 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.16 80.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.424 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -56.77 -39.33 73.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.367 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.5 mt -67.25 -39.37 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.429 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -59.87 -36.97 78.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.498 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.99 -33.37 68.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -71.57 -60.15 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -90.64 -89.18 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.54 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.16 1.96 0.03 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -72.16 132.71 84.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.665 0.269 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.07 140.6 28.46 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.707 2.271 . . . . 0.0 111.87 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.01 -62.05 0.5 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.754 2.303 . . . . 0.0 112.055 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -40.96 -26.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.646 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' C' ' 38' ' ' PRO . 23.1 mt-30 -111.02 64.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.514 ' O ' ' NZ ' ' C' ' 27' ' ' LYS . 70.3 mt-30 -151.73 111.55 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.655 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -104.6 106.47 16.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.432 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.426 ' CD1' ' HZ1' ' C' ' 27' ' ' LYS . 16.8 mt -97.51 123.24 41.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.763 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 mt -116.49 146.14 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.485 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 80.3 t80 -160.56 178.08 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.49 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . 0.603 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -43.36 -19.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.619 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -105.52 30.72 9.38 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' C' ' 45' ' ' PHE . 5.2 ttmm 62.53 -150.44 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.529 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . 0.445 ' H ' ' HG2' ' C' ' 48' ' ' LYS . 46.1 mt-30 -71.79 133.73 45.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.5 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.0 117.35 29.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.679 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -76.97 158.71 30.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.576 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.27 164.62 25.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.581 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 84.72 -60.27 4.83 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' C' ' 53' ' ' GLY . 14.7 mmt85 -44.12 169.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 110.563 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 70.9 p -113.88 164.51 13.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.63 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.94 -1.26 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.545 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.476 ' C ' ' H ' ' C' ' 59' ' ' TYR . 4.9 t -93.66 -31.21 14.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.638 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -72.97 14.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.476 ' H ' ' C ' ' C' ' 57' ' ' SER . 56.6 m-85 -138.83 8.17 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.518 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 56.06 29.67 14.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 74.1 mt -78.34 91.82 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.376 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -78.06 -157.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.65 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -81.81 159.79 23.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.684 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 59.42 33.6 22.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.685 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 11.3 m -92.66 121.46 34.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.508 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 85.5 m -95.12 105.85 17.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . 0.411 HD13 ' O ' ' C' ' 4' ' ' PHE . 1.1 mp -100.54 146.76 26.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.589 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . 0.458 ' CE1' ' HG1' ' A' ' 587' ' ' THR . 0.5 OUTLIER -87.91 149.32 24.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.217 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . 0.401 HD13 ' H ' ' C' ' 70' ' ' VAL . 47.1 tp -136.03 133.13 37.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.752 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.401 ' H ' HD13 ' C' ' 69' ' ' LEU . 4.6 t -141.01 115.5 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.582 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' C' ' 71' ' ' LEU . 0.3 OUTLIER -72.12 165.16 24.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.483 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -57.48 -65.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.496 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 23.7 tp -166.11 110.71 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.524 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 51.5 ttm-85 53.76 97.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.41 152.94 8.32 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 73.1 p -66.03 88.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.569 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.53 149.27 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . 0.43 HG21 HD11 ' A' ' 485' ' ' ILE . 8.8 mm -59.85 -23.87 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 16.1 p -48.35 -39.04 20.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 28.2 t -54.57 -57.49 11.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.58 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -51.85 -34.95 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.76 -69.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 50.2 mt -49.04 -30.08 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.596 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 49.0 tp -59.0 -63.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.532 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -47.4 -59.67 5.71 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 493' ' ' LEU . 9.4 mp -53.93 -41.93 68.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.427 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -44.33 -37.53 4.71 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 40.6 mt -81.0 -25.55 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 0.0 110.511 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 493' ' ' LEU . . . -78.69 -1.27 33.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -42.17 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -87.6 11.94 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.598 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.431 ' O ' ' OG ' ' A' ' 500' ' ' SER . . . -42.96 -90.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 499' ' ' GLY . 5.4 m -167.29 35.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.573 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 71.2 tttt 62.77 99.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -116.09 156.69 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -84.8 1.14 48.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -83.96 -28.15 27.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.112 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 4.8 t -55.05 -66.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.371 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 8.9 mt -71.64 -23.58 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.11 -12.41 62.85 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.6 mp -124.13 -45.2 2.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 110.722 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.1 -55.5 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.903 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.577 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 8.7 tp -45.12 -60.11 3.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.69 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.5 Cg_endo -48.02 -52.2 8.66 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.414 2.076 . . . . 0.0 111.662 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 85.5 mt -55.89 -14.9 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.601 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -139.61 32.54 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.733 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.481 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -153.71 -37.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.781 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 514' ' ' ALA . 17.9 t -31.95 -58.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.675 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.481 ' HG1' ' NH2' ' B' ' 42' ' ' ARG . 22.7 m -171.41 -45.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.422 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.535 ' O ' ' O ' ' A' ' 518' ' ' LEU . 52.6 t0 -146.01 -76.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.42 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.609 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.2 mm? 55.03 149.43 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.43 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.03 132.0 10.98 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.779 2.319 . . . . 0.0 111.908 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 98.7 mt -74.93 -38.57 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -49.81 -80.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 7.3 m -45.0 -46.26 11.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.42 -32.87 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -58.23 -60.55 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.485 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 25.2 mtt -55.59 -32.52 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.532 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -67.04 -47.09 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.554 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 9.1 t -51.35 -43.06 61.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.48 -42.73 98.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -50.95 -40.1 56.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.609 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.19 -43.61 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -56.25 -72.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.626 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -42.97 -51.32 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.691 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.557 ' C ' ' H ' ' A' ' 535' ' ' VAL . 82.7 t -61.2 -73.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.583 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -73.11 29.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.568 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -59.38 -30.36 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.551 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.14 -79.35 0.87 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 12.9 t -85.32 125.88 33.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.592 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 20.8 p -114.53 160.28 19.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.5 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -135.55 156.48 48.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -71.19 -48.09 33.55 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -43.72 -37.25 2.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 0.0 110.577 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.81 -47.15 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.639 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.5 m -69.19 -56.29 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.628 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 70.3 p -41.27 -56.24 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.592 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 58.8 p -58.18 -51.14 70.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 0.0 110.291 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -26.19 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.32 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.9 tpt -76.01 -48.8 19.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -47.32 -44.63 23.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.42 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -68.56 -35.9 78.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.518 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . 0.453 ' CE1' ' NH1' ' A' ' 553' ' ' ARG . 13.7 t80 -55.56 -43.06 75.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.521 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.456 ' C ' ' H ' ' A' ' 553' ' ' ARG . 24.4 mt -70.59 -46.26 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -50.01 -14.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.456 ' H ' ' C ' ' A' ' 551' ' ' LEU . 29.5 ttp180 -41.25 143.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.488 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.526 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -105.15 -9.8 17.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.497 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 57.34 5.46 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.013 0.435 . . . . 0.0 110.097 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.526 ' H ' ' C ' ' A' ' 554' ' ' THR . 1.1 mp -102.95 -25.0 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.37 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.472 ' C ' ' H ' ' A' ' 559' ' ' LYS . 51.5 mt-10 -87.65 11.34 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.613 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 90.8 mt -54.04 -9.83 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.626 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 557' ' ' GLU . 57.8 tttp -60.39 -52.63 64.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.553 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 30.5 p -71.82 148.64 46.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.519 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -86.28 130.14 34.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 30.0 p-90 -178.17 -9.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.621 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 11.8 p -63.86 -31.08 51.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.561 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -62.42 -64.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -51.57 -44.62 62.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 27.7 tp -55.16 -49.14 72.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.514 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.37 -63.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.629 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 14.1 mt -43.21 -32.88 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -62.56 -60.34 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.592 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 39.9 mt -55.15 -12.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -94.36 -78.2 1.4 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 3.5 tp -42.38 -32.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.548 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.7 tp -44.72 -63.08 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -83.33 -176.67 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -178.09 12.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 99.89 126.95 5.85 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -172.74 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.672 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 178.95 86.68 0.07 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . 0.541 ' C ' ' O ' ' A' ' 578' ' ' GLY . 47.4 mt-10 25.61 37.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.823 0.344 . . . . 0.0 110.79 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.672 ' N ' ' O ' ' A' ' 578' ' ' GLY . 29.2 mm100 -65.25 -61.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.526 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 41.4 t -57.0 -40.25 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.559 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -49.62 -42.39 44.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . 0.442 ' OD2' ' NZ ' ' C' ' 6' ' ' LYS . 12.4 t70 -68.47 -38.12 80.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.583 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 44.4 t -58.28 -55.44 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 49.5 mt -55.87 -32.16 63.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.476 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -66.21 -36.48 83.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 590' ' ' ALA . 31.6 m -68.95 -53.98 17.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 94.0 mt -46.55 -39.8 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.573 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' SER . . . . . 0.47 ' HG ' ' N ' ' A' ' 590' ' ' ALA . 25.5 p -75.09 -27.59 59.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.47 ' N ' ' HG ' ' A' ' 589' ' ' SER . . . -57.07 -37.18 71.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.549 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 9.0 pt -102.93 68.02 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 60.7 -168.12 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.598 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.636 ' HD1' ' H ' ' A' ' 593' ' ' HIS . 2.7 p-80 -138.11 77.57 36.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.523 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.06 -158.14 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.963 2.442 . . . . 0.0 111.966 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.464 ' C ' ' H ' ' A' ' 597' ' ' SER . 50.0 mtt -64.39 4.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.523 ' H ' ' C ' ' A' ' 594' ' ' PRO . 38.0 p -60.12 -4.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.581 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 595' ' ' MET . 22.9 p -45.86 -46.74 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -47.68 -45.44 28.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.529 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 14.9 mm -69.75 -46.83 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.584 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -49.66 -59.65 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.8 -66.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 57.1 tp -44.13 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 42.2 t -51.8 -28.16 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.552 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.44 -40.17 96.15 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 8.3 t -64.97 -52.21 57.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.552 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 52.2 t -81.36 128.29 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -172.07 -87.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -76.29 -174.08 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.547 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 40.8 p -60.18 132.76 54.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.562 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 173.2 59.66 0.05 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 1.1 t -167.65 -5.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.568 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.776 0 CA-C-O 118.019 -1.434 . . . . 0.0 110.916 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -105.38 107.56 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -104.2 155.45 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.632 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -116.24 153.32 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.638 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -129.78 106.16 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.365 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -80.76 125.97 30.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.65 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.449 ' C ' ' H ' ' B' ' 9' ' ' THR . 33.5 p -90.11 156.09 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.398 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.73 44.45 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.523 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.449 ' H ' ' C ' ' B' ' 7' ' ' THR . 25.1 p -143.73 -43.98 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.62 -15.42 1.81 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -82.96 139.42 33.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.4 m -118.44 120.94 39.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.479 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -95.53 129.38 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.665 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.7 m -103.87 124.56 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.422 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.6 mt -131.58 141.5 49.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.752 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -91.67 110.64 21.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.346 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 10.7 m -126.38 -173.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.746 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.401 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 7.5 mt-10 -126.32 172.75 5.97 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.183 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.64 -17.6 18.06 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.851 2.367 . . . . 0.0 112.16 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.7 t -97.81 -11.83 22.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.641 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.401 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 36.1 m-20 -55.59 137.1 49.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.525 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.0 p -86.66 139.45 30.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.455 HG23 HD13 ' B' ' 23' ' ' ILE . 32.0 mm -45.77 -50.49 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.23 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -48.61 -40.93 29.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.167 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.585 ' ND2' ' NZ ' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -62.28 -45.49 93.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.222 179.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.22 -52.61 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.23 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -51.46 -38.7 55.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.172 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.43 98.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.272 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.585 ' NZ ' ' ND2' ' B' ' 25' ' ' ASN . 56.7 mttp -61.93 -37.78 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.44 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mt -66.71 -36.77 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.485 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -66.76 -34.7 78.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.46 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -72.71 -26.21 61.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -84.01 -64.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -81.76 -108.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.5 12.34 0.04 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 80.1 mt -87.54 126.06 63.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.648 0.261 . . . . 0.0 110.523 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -72.91 146.33 41.88 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.566 2.177 . . . . 0.0 111.952 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.701 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -45.95 -50.03 10.34 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.817 2.345 . . . . 0.0 112.054 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.88 21.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.703 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.701 ' H ' ' C ' ' B' ' 38' ' ' PRO . 21.1 mt-30 -151.85 48.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.476 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -147.79 148.03 30.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.481 ' NH2' ' HG1' ' A' ' 516' ' ' THR . 54.9 ttt180 -142.1 96.1 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.501 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mt -84.38 127.42 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mt -127.94 145.74 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -145.47 136.12 24.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.05 27.46 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.85 38.57 30.76 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -142.17 118.63 10.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.596 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -72.64 136.31 45.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -92.43 137.11 32.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.558 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -102.6 148.98 24.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.58 178.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.538 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 69.05 -63.8 0.51 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' B' ' 53' ' ' GLY . 4.4 mpt_? -41.61 166.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.602 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.466 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 70.5 p -118.08 166.03 13.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.565 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.85 -3.22 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.466 ' OG ' ' OG1' ' B' ' 55' ' ' THR . 2.1 p -96.69 -21.28 17.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.535 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.98 9.03 11.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.472 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -135.89 11.15 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 55.06 32.46 18.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.714 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.7 mt -82.44 94.62 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.413 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -77.59 -160.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -84.33 160.31 20.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.727 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 60.28 30.78 20.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.809 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.6 m -90.62 128.89 36.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.444 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 28.2 m -91.12 92.36 8.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.534 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.88 126.38 30.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.89 108.23 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.451 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 16.9 tp -87.91 101.15 13.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.09 149.08 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.48 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' B' ' 71' ' ' LEU . 3.7 mm? -90.99 118.9 30.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.586 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -68.47 89.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tt 52.35 78.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.415 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -56.97 135.85 56.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -48.15 -75.51 0.19 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.772 0 CA-C-O 117.977 -1.457 . . . . 0.0 110.928 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.501 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -73.7 99.85 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.475 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 9.7 pt -100.28 158.8 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -114.7 145.65 41.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.622 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.58 105.89 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.496 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . 0.442 ' NZ ' ' OD2' ' A' ' 583' ' ' ASP . 35.2 ttpt -88.75 130.76 35.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.615 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 81.0 p -96.73 141.94 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.46 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.52 -47.94 38.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.496 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 44.0 p -48.63 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.67 74.22 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -167.59 127.55 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.606 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 36.8 m -102.62 129.77 49.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.464 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mt -116.33 129.71 72.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.61 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 10.3 m -93.61 123.45 36.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.414 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 26.6 mt -131.55 129.79 41.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' C' ' 16' ' ' GLU . 27.1 mp0 -88.29 104.21 16.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.302 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' C' ' 1' ' ' MET . 8.7 m -124.21 -177.13 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.493 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 3.7 mt-10 -124.44 175.03 3.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.202 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.15 -22.04 14.95 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.803 2.335 . . . . 0.0 112.171 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 6.9 t -93.84 -6.17 46.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.622 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 19.2 m-20 -61.93 137.85 58.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.532 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.6 p -88.01 140.19 29.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.747 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 40.7 mm -46.21 -47.82 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.305 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -51.95 -40.35 60.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.27 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . 0.681 ' ND2' ' HZ2' ' C' ' 29' ' ' LYS . 0.2 OUTLIER -62.34 -43.48 98.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.127 179.656 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.48 -47.88 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.205 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -54.04 -42.07 68.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.358 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -44.62 93.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.349 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . 0.681 ' HZ2' ' ND2' ' C' ' 25' ' ' ASN . 55.4 mttp -59.2 -41.5 88.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.377 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.6 mt -62.32 -45.02 99.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.383 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -57.48 -37.85 73.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.402 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -68.94 -24.86 64.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.495 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -82.47 -64.38 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.518 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -88.86 -101.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.42 19.22 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.544 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 74.0 mt -87.23 108.71 20.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.643 0.258 . . . . 0.0 110.516 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.75 138.13 11.74 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.651 2.234 . . . . 0.0 111.915 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.592 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.66 -44.83 21.0 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.771 2.314 . . . . 0.0 112.092 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -70.05 28.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.793 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.592 ' H ' ' C ' ' C' ' 38' ' ' PRO . 20.0 mt-30 -155.0 47.43 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 67.3 mt-30 -150.69 98.13 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -88.34 104.4 16.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.394 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 63.1 mt -88.08 137.03 32.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.697 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 mt -140.88 140.64 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.553 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.589 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 53.0 t80 -126.35 -178.87 4.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -38.44 -40.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.16 -92.81 0.08 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -146.32 -142.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.574 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -86.61 138.18 31.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 mt -91.84 132.34 36.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.618 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -98.84 159.75 14.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.611 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.3 OUTLIER -64.98 165.61 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 82.95 -68.72 3.51 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.0 mmt180 -39.6 161.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 110.516 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.518 ' C ' ' H ' ' C' ' 57' ' ' SER . 39.9 p -113.44 163.35 14.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.568 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 70.2 mt -64.24 3.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.637 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.518 ' H ' ' C ' ' C' ' 55' ' ' THR . 3.1 t -95.65 -26.02 15.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.643 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.14 18.87 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.572 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.42 ' H ' ' C ' ' C' ' 57' ' ' SER . 86.5 m-85 -141.47 -9.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' C' ' 59' ' ' TYR . 10.4 t-20 76.17 10.79 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.705 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -58.65 106.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.494 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -84.54 -157.72 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.664 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -87.01 160.64 18.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.729 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 56.72 27.47 12.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.776 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -87.97 134.46 33.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.587 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 7.9 m -89.9 111.82 22.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mt -101.63 121.99 43.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -71.13 142.4 50.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.209 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . 0.495 ' CD2' ' C ' ' C' ' 69' ' ' LEU . 6.3 tt -134.8 121.22 20.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.599 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 16.9 t -119.39 104.3 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.437 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.618 ' H ' ' CD2' ' C' ' 71' ' ' LEU . 1.8 pt? -77.54 147.21 35.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.684 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -84.22 91.59 7.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 24.0 mt 60.65 164.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -46.23 126.11 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.658 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . 0.401 ' HA2' HE22 ' C' ' 40' ' ' GLN . . . -66.6 -83.38 0.11 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 4.3 p -59.67 -27.45 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.589 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -76.34 58.74 1.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 23.3 pt -61.67 -19.86 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.597 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 44.0 m -53.81 -26.59 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.625 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 59.2 m -68.22 -52.83 29.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.537 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -64.96 -16.26 63.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.597 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.86 -70.97 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.546 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 22.4 mm -53.39 -37.29 28.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 494' ' ' GLY . 6.9 tp -57.92 -75.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.483 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -46.61 -33.76 6.39 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.4 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 8.3 tp -74.22 -30.24 62.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.492 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 491' ' ' LEU . . . -60.5 -50.25 69.61 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 9.0 tp -76.51 -26.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.491 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 498' ' ' ALA . . . -53.66 -51.38 63.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.463 ' O ' ' OG ' ' A' ' 500' ' ' SER . 63.0 m-85 -42.54 -22.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.664 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 496' ' ' ALA . . . -43.64 -35.05 1.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -96.66 57.34 1.34 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 497' ' ' PHE . 12.8 p -174.42 -82.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 110.571 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 45.8 tttp 65.38 33.75 8.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.563 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 7.9 t-20 -90.79 -169.54 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . 0.563 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 68.1 m-20 -89.99 6.28 42.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.418 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -81.57 -33.11 31.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.226 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.35 -60.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.388 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 10.9 mp -75.0 -17.56 60.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.463 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -67.69 -18.14 69.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 19.6 mt -119.61 -43.81 2.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.731 0.301 . . . . 0.0 110.755 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.7 mp -67.39 -56.71 8.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.94 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.625 ' O ' ' N ' ' A' ' 514' ' ' ALA . 7.1 tp -45.07 -60.54 3.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.734 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -47.61 -47.46 18.09 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.474 2.116 . . . . 0.0 111.799 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.47 -17.87 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.67 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -128.75 1.33 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.625 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -131.29 -4.96 3.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 511' ' ' PRO . 3.2 t -45.47 -67.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -178.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 515' ' ' SER . 2.0 m -169.17 -57.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.523 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -159.65 59.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.633 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 95.8 mt -82.75 150.5 62.58 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.71 139.21 7.62 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.816 2.344 . . . . 0.0 111.991 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 62.4 mt -75.19 -4.07 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.504 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -64.78 -41.58 95.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 524' ' ' ALA . 7.4 m -101.36 -55.49 2.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.665 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.412 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -39.99 -28.48 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.694 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 522' ' ' THR . . . -70.63 -64.79 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.515 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 36.3 mtt -46.16 -52.65 11.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -48.51 -41.52 30.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.53 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 523' ' ' ALA . 3.7 m -56.55 -36.2 69.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.487 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 21.8 mt -74.87 -16.86 60.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.568 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -76.76 -49.19 16.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.565 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.74 -35.58 81.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.557 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -61.71 -62.21 1.96 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.531 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -45.46 -44.98 12.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.575 ' C ' ' H ' ' A' ' 535' ' ' VAL . 78.2 t -73.1 -71.55 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.585 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -71.76 30.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.672 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.575 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.5 p -55.29 -40.87 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.582 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . 0.4 ' N ' ' CG1' ' A' ' 535' ' ' VAL . . . -85.1 -87.43 0.92 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 9.0 t -61.45 121.84 13.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 110.588 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 44.7 t -113.14 168.82 9.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.514 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.583 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 18.8 m-20 -133.65 -178.1 4.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.565 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -97.97 -53.12 1.31 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -42.03 -42.44 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.563 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 82.7 mt -54.91 -48.6 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.617 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 89.4 m -62.76 -61.54 2.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.621 ' HG1' ' N ' ' A' ' 545' ' ' SER . 63.6 p -44.93 -50.1 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.472 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.621 ' N ' ' HG1' ' A' ' 544' ' ' THR . 81.9 p -59.6 -42.29 92.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.372 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . 0.401 ' O ' ' CD1' ' A' ' 550' ' ' PHE . 0.3 OUTLIER -66.64 -30.6 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.361 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 76.9 mmm -75.76 -43.69 45.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.479 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' C' ' 72' ' ' ARG . 46.9 m-20 -53.85 -38.34 64.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.512 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -72.56 -41.83 65.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.515 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 546' ' ' ILE . 3.0 m-85 -51.17 -50.39 59.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.474 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.442 ' C ' ' H ' ' A' ' 553' ' ' ARG . 36.5 mt -69.41 -47.16 65.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.497 ' OE2' ' NH1' ' C' ' 72' ' ' ARG . 36.5 mt-10 -77.93 21.73 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.559 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.567 ' NH1' ' CH2' ' A' ' 562' ' ' TRP . 31.3 ttp85 -83.54 137.14 33.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.511 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.599 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -104.3 -26.65 12.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.574 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 55.54 3.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.091 0.472 . . . . 0.0 109.843 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.599 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.8 OUTLIER -60.35 -17.02 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.648 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -74.67 -75.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.625 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 22.8 mt -112.3 146.73 37.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.448 ' O ' ' OD1' ' A' ' 561' ' ' ASP . 58.5 mttm -107.54 141.99 38.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.608 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 562' ' ' TRP . 5.4 m 63.99 -77.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.683 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 559' ' ' LYS . 1.3 p-10 -56.87 83.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.67 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.567 ' CH2' ' NH1' ' A' ' 553' ' ' ARG . 64.9 p-90 -176.78 -38.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.496 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.495 ' N ' ' CD2' ' A' ' 562' ' ' TRP . 11.6 p -64.7 -23.19 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.619 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -67.46 -36.04 80.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.58 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -75.78 -63.21 1.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 10.8 mp -44.21 -41.24 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.4 87.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.518 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . 0.415 ' C ' ' CD1' ' A' ' 568' ' ' LEU . 0.2 OUTLIER -59.16 -70.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.472 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -44.77 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.624 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 56.6 tp -43.32 -24.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -82.7 -78.86 1.03 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.4 tt -46.76 -20.35 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.621 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.413 ' N ' ' C ' ' A' ' 571' ' ' GLY . 19.5 tp -44.89 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.508 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -82.35 121.85 27.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.527 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 48.2 mtm -57.88 -16.18 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.6 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 81.6 75.58 1.11 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -155.83 50.06 0.53 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.819 0.343 . . . . 0.0 110.563 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.534 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . 174.35 138.74 2.78 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -53.42 -7.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 110.569 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.534 ' H ' ' C ' ' A' ' 578' ' ' GLY . 7.1 mm-40 -50.76 -54.34 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 98.2 t -55.86 -47.13 80.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -45.75 -39.49 8.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.48 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.26 -43.54 81.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.504 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 54.0 t -54.04 -55.5 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 19.2 mt -50.72 -44.74 58.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.496 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -52.7 -37.95 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.523 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 22.8 m -62.08 -46.49 88.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.409 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 58.7 mt -51.61 -36.62 18.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.498 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 21.6 p -83.96 -28.54 27.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -57.12 -51.07 70.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 13.4 tt -81.25 154.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.553 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.531 ' O ' ' ND1' ' A' ' 593' ' ' HIS . 30.9 tt0 -64.49 94.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.591 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.531 ' ND1' ' O ' ' A' ' 592' ' ' GLU . 9.8 m-70 -160.79 73.57 2.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.477 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -9.18 19.97 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.982 2.455 . . . . 0.0 111.956 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.474 ' C ' ' H ' ' A' ' 597' ' ' SER . 45.3 mtt -78.0 -45.12 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 68.1 p -60.82 -3.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.546 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 595' ' ' MET . 15.7 t -48.82 -30.22 5.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.543 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.9 -48.46 79.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.8 -36.56 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -56.41 -38.62 71.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 84.5 t -69.63 -40.94 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.495 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 12.5 tp -56.23 -75.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 17.3 t -52.27 -36.16 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -59.34 -48.2 87.15 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 18.6 p -54.95 -41.27 70.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 74.1 m -84.41 173.18 11.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.535 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 59.45 -153.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.586 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -56.09 151.2 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.634 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 14.5 p -82.29 -13.85 56.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.629 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 111.16 -19.33 24.99 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 9.6 m -76.28 -52.15 10.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 0.0 110.597 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.703 0 CA-C-O 118.002 -1.443 . . . . 0.0 110.883 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.525 ' N ' ' O ' ' B' ' 17' ' ' VAL . 28.8 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -88.12 115.86 25.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.621 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -118.64 155.7 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.636 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -114.61 147.01 40.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.866 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -125.31 101.14 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.19 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -87.92 134.69 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.753 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.505 ' C ' ' H ' ' B' ' 9' ' ' THR . 1.5 p -111.19 167.6 10.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.452 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.23 40.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.493 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.505 ' H ' ' C ' ' B' ' 7' ' ' THR . 22.3 p -146.07 15.25 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.47 -15.79 4.33 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' B' ' 9' ' ' THR . 72.6 tttt -69.56 133.57 47.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.677 0.275 . . . . 0.0 110.615 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -125.71 109.58 12.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -90.37 127.42 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.683 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -99.15 120.72 39.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.302 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.7 mt -128.65 139.12 52.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.803 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -88.37 124.65 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.296 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.3 m -143.8 -164.76 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.707 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' B' ' 21' ' ' ASP . 23.0 mt-10 -149.15 152.56 36.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.461 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.1 -49.61 9.79 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.991 2.461 . . . . 0.0 112.25 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.487 ' H ' ' HG ' ' B' ' 20' ' ' SER . 0.9 OUTLIER -56.83 -42.76 80.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.932 -179.689 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' B' ' 18' ' ' GLU . 6.7 m-20 -35.83 142.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.79 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.7 p -97.26 146.66 24.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.6 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 20.0 mm -47.59 -54.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.365 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -45.95 -42.93 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.364 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.98 -47.51 85.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.249 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.4 t -55.98 -52.21 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.228 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -51.67 -31.87 27.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.16 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.16 -43.13 78.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.301 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -62.19 -37.54 85.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.399 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 6.3 mt -69.36 -40.37 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.378 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -61.01 -35.9 78.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.495 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -72.01 -35.06 69.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.516 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -71.12 -62.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.472 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -88.5 -108.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.498 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.2 9.59 0.05 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 mt -83.24 118.11 70.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.704 0.288 . . . . 0.0 110.499 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -72.62 144.89 40.72 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.613 2.209 . . . . 0.0 111.973 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.687 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.16 -49.93 10.73 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.782 2.321 . . . . 0.0 111.909 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -59.35 9.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.687 ' H ' ' C ' ' B' ' 38' ' ' PRO . 78.4 mm-40 -143.44 54.7 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -151.0 164.44 36.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.58 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.427 ' HE ' ' CD ' ' B' ' 49' ' ' GLN . 58.9 ttt180 -157.29 90.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.535 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.1 mt -78.87 116.63 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.9 mt -118.5 138.41 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -136.46 132.53 35.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.475 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.24 17.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.447 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.24 -11.77 68.75 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.523 ' HZ1' ' C ' ' C' ' 75' ' ' GLY . 31.0 mttm -88.0 120.24 29.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.527 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.427 ' CD ' ' HE ' ' B' ' 42' ' ' ARG . 47.2 tt0 -75.43 125.82 29.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.564 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 20.3 mt -82.76 128.96 34.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -92.41 159.73 15.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.572 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.73 161.67 30.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.555 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 83.75 -57.21 5.06 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' B' ' 53' ' ' GLY . 13.9 mmt180 -43.9 169.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 0.0 110.624 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 56.1 p -115.39 160.9 19.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.711 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.2 -8.91 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.7 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -91.42 -13.83 31.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.641 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -86.3 7.59 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -133.72 5.37 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.549 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 65.11 11.61 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.712 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.91 96.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.422 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -81.09 -171.05 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.693 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -74.37 158.63 33.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 57.53 40.53 26.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.885 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 73.6 m -94.14 154.03 17.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.296 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -109.7 92.33 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.566 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.71 121.13 24.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.6 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -79.78 103.37 9.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.1 tp -80.73 91.7 5.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.465 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -95.7 154.31 3.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.612 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.518 ' CD2' ' N ' ' B' ' 71' ' ' LEU . 3.9 mm? -94.52 139.46 31.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.491 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -94.48 161.38 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.523 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -51.43 121.46 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.531 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -45.46 99.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.404 ' H ' HE22 ' B' ' 40' ' ' GLN . . . -169.99 -118.02 0.44 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.71 0 CA-C-O 118.056 -1.413 . . . . 0.0 110.964 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.538 ' N ' ' O ' ' C' ' 17' ' ' VAL . 29.4 ttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -121.48 115.68 23.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 pt -116.77 154.96 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.743 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -110.25 141.84 42.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.506 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 69.6 t -119.88 114.0 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.433 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -94.39 134.29 37.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.575 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 59.2 p -94.54 142.27 27.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.535 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.54 -24.69 33.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.517 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 75.9 p -71.32 -64.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.43 72.73 0.01 OUTLIER Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -172.83 132.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.612 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -104.27 152.72 21.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.483 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mt -137.03 130.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.703 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 9.3 m -93.27 121.06 34.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.304 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.3 mt -123.91 128.51 49.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -89.13 118.5 28.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.152 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' C' ' 1' ' ' MET . 10.3 m -144.6 -174.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.56 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 4.1 mt-10 -129.5 145.21 55.96 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.375 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.26 -15.66 0.19 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.848 2.366 . . . . 0.0 112.362 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 8.5 t -96.57 -19.35 19.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.312 . . . . 0.0 110.826 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.56 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 1.0 OUTLIER -43.09 136.36 2.86 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 172.174 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.0 p -89.68 141.52 28.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.49 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . 0.403 HD13 HG21 ' C' ' 23' ' ' ILE . 32.1 mm -42.66 -57.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.621 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -46.8 -40.15 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -62.02 -43.34 99.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.329 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.1 -47.57 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.161 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' C' ' 41' ' ' GLN . 74.3 mttt -53.19 -41.76 65.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.214 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.71 84.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.34 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -55.29 -39.07 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.299 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.8 mt -66.37 -42.42 90.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.391 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -57.58 -36.72 72.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.44 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -71.07 -35.27 71.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -68.76 -56.27 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.548 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -96.65 -82.31 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.82 32.37 0.03 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 30.4 mt -103.0 114.14 65.43 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.656 0.265 . . . . 0.0 110.528 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -46.31 136.27 15.05 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.6 2.2 . . . . 0.0 111.734 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.23 -63.42 0.33 Allowed 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.793 2.329 . . . . 0.0 112.006 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -39.64 -35.35 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -94.97 59.84 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.707 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 59.9 mt-30 -157.02 134.11 10.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.584 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -126.96 108.27 10.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.427 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 27.4 mt -99.44 120.87 40.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.759 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . 0.46 HD12 HG21 ' C' ' 44' ' ' ILE . 90.5 mt -122.12 129.51 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.406 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.59 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 52.6 t80 -117.12 165.84 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.555 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . 0.59 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -40.14 -40.85 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.75 -67.63 2.0 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -173.7 -160.7 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.501 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -80.23 128.34 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.5 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . 0.443 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 10.8 mt -79.85 115.66 19.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.557 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -82.96 158.99 22.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -76.16 104.8 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.546 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 144.95 -67.47 0.42 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' C' ' 53' ' ' GLY . 10.0 mmt85 -44.63 173.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.725 0.297 . . . . 0.0 110.597 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.491 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 72.9 p -115.68 172.4 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.536 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 56.2 mt -70.91 2.49 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.781 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.491 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 23.1 p -93.42 -27.46 16.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.789 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.07 -1.39 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.679 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.443 ' CD2' ' CD2' ' C' ' 50' ' ' LEU . 61.1 m-85 -122.15 13.45 10.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.527 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 47.63 37.56 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.709 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 70.0 mt -84.82 98.17 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.487 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -79.39 -159.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -86.77 159.77 19.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.689 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 57.29 33.51 23.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.712 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m -97.74 131.74 43.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.609 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 9.2 m -91.91 128.57 37.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.34 172.06 7.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.606 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -119.57 102.31 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.394 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 46.6 tp -93.3 132.61 37.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 9.5 t -134.16 133.97 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.518 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' C' ' 71' ' ' LEU . 7.2 mp -92.93 128.41 38.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.491 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . 0.497 ' NH1' ' OE2' ' A' ' 552' ' ' GLU . 8.3 ttt85 -41.96 -39.57 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.366 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 56.0 tp 179.74 149.11 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.363 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -41.18 131.11 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.521 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . 0.523 ' C ' ' HZ1' ' B' ' 48' ' ' LYS . . . -173.87 -84.55 0.06 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.656 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 1.1 t -80.23 155.45 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 486' ' ' SER . 20.7 pttp -170.32 8.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.9 pt -49.22 -17.47 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 484' ' ' LYS . 65.4 p -63.11 -53.49 52.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.497 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' SER . . . . . 0.445 ' H ' ' HG ' ' A' ' 487' ' ' SER . 4.4 m -45.62 -55.77 5.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.588 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -50.41 -46.27 56.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.612 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -52.54 -65.57 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 13.0 mm -49.21 -39.67 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.543 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 1.9 tt -53.1 -69.12 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.527 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -57.35 -57.18 21.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.542 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 5.4 tp -44.01 -43.07 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.603 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -56.31 -51.2 57.6 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 25.0 pt -84.58 13.62 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 110.655 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -93.96 -60.26 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.576 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 47.7 p90 -85.45 23.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -52.49 -67.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -91.79 88.43 1.36 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 55.2 m -160.07 -54.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.541 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp 50.15 74.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.587 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.457 ' C ' ' H ' ' A' ' 504' ' ' GLU . 4.6 m-20 -122.93 149.12 44.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.51 -2.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . 0.457 ' H ' ' C ' ' A' ' 502' ' ' ASN . 9.6 tp10 -84.66 -48.55 9.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.243 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 23.4 t -51.8 -57.35 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.35 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.4 mt -70.07 -25.26 63.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.616 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.84 -18.1 61.52 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.7 mp -117.83 -39.04 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.737 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 510' ' ' LEU . 7.7 mp -68.18 -65.28 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.946 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.587 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 56.2 tp -38.98 -60.75 1.08 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.958 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.587 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.92 -59.8 1.11 Allowed 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.419 2.079 . . . . 0.0 111.644 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 83.7 mt -53.36 -9.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.548 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 511' ' ' PRO . . . -130.48 13.78 5.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.794 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -172.49 28.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 511' ' ' PRO . 87.7 p -70.49 -60.17 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.36 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 515' ' ' SER . 1.3 m -170.74 -45.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.529 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.523 ' O ' ' NH2' ' B' ' 72' ' ' ARG . 27.4 t70 -171.31 27.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.641 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.471 ' CD1' ' OG ' ' A' ' 515' ' ' SER . 29.5 mt -53.97 154.47 7.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.435 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -43.82 159.78 0.09 OUTLIER 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.847 2.365 . . . . 0.0 112.049 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 5.5 mt -83.76 -35.5 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -45.48 -81.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.761 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 7.9 t -44.98 -47.79 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.787 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 524' ' ' ALA . . . -55.2 -70.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.649 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 523' ' ' ALA . . . -35.52 -68.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.743 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 22.1 mmt -47.67 -54.39 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.679 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 528' ' ' LEU . . . -50.95 -68.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.576 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' SER . . . . . 0.5 ' H ' ' HG ' ' A' ' 527' ' ' SER . 4.0 m -40.76 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.686 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 526' ' ' ALA . 1.1 tt -70.31 -51.01 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -68.3 -42.28 79.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.7 tt -49.62 -61.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.568 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 533' ' ' VAL . . . -59.14 -47.88 83.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . 0.411 ' ND1' ' O ' ' A' ' 532' ' ' HIS . 37.5 t-80 -40.46 -29.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.686 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 531' ' ' ALA . 53.3 t -97.17 -46.0 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -87.23 34.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.583 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -47.74 -49.48 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.758 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 537' ' ' THR . . . -115.95 -25.69 3.52 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.472 ' H ' ' HG1' ' A' ' 537' ' ' THR . 0.2 OUTLIER -53.38 -166.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 110.619 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 537' ' ' THR . 71.0 m -38.69 124.24 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.592 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.513 ' ND2' ' CE1' ' A' ' 574' ' ' TYR . 49.8 t-20 -140.95 36.58 1.76 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.633 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -99.5 -72.31 1.02 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.33 -40.54 94.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 52.8 mt -50.99 -43.68 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 17.0 m -64.05 -62.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.49 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 69.0 p -45.36 -34.75 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.587 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' A' ' 546' ' ' ILE . 0.1 OUTLIER -74.13 -58.95 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.153 179.686 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . 0.443 ' N ' ' OG ' ' A' ' 545' ' ' SER . 0.1 OUTLIER -47.42 -28.17 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.317 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.0 tpt -72.5 -47.54 47.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.459 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -48.62 -42.5 34.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.312 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.412 ' O ' ' ND2' ' A' ' 549' ' ' ASN . 0.6 OUTLIER -66.86 -43.05 84.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.558 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -52.67 -55.48 22.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.404 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 54.2 mt -50.37 -64.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 552' ' ' GLU . 0.3 OUTLIER -55.81 -38.13 69.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.397 179.758 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.478 ' C ' ' OG1' ' A' ' 554' ' ' THR . 21.7 ttm-85 43.94 -133.55 0.63 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -173.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.671 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 165.06 -74.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.985 -179.839 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 32.36 29.78 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.241 0.543 . . . . 0.0 109.572 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.671 ' N ' ' O ' ' A' ' 554' ' ' THR . 3.0 tp -109.96 11.36 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.793 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -125.12 -50.51 1.68 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.561 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 39.1 mt -119.81 179.6 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.612 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -168.54 52.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.531 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 561' ' ' ASP . 39.8 p -153.07 122.63 6.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' A' ' 560' ' ' THR . 31.8 m-20 47.87 98.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.507 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.432 ' O ' ' N ' ' A' ' 564' ' ' ARG . 27.1 t90 -160.88 -67.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.522 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 92.5 t -44.29 -21.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.604 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 562' ' ' TRP . 34.9 ttt85 -67.39 -75.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -50.79 -37.81 44.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.56 -70.38 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -46.63 -40.07 12.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.47 -62.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.504 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -45.27 -70.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.562 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 52.9 tp -45.77 -24.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -82.75 -77.58 1.08 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 14.4 tt -47.95 -22.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.494 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 21.0 tp -43.83 -56.66 3.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.53 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.513 ' CE1' ' ND2' ' A' ' 539' ' ' ASN . 71.9 m-85 -90.14 128.98 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.561 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 50.6 mtt -44.7 -51.51 9.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.621 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 161.46 -65.65 0.26 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -74.5 127.95 34.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.801 0.334 . . . . 0.0 110.579 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.475 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . 155.91 102.89 0.2 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -46.46 -15.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.54 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.475 ' H ' ' C ' ' A' ' 578' ' ' GLY . 9.5 tt0 -51.04 -49.81 59.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.561 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 72.3 t -55.7 -44.41 76.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.461 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -49.72 -33.57 16.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.519 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -74.21 -37.32 63.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.498 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.85 -50.95 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.463 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 43.8 mt -59.14 -35.93 74.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.415 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -60.26 -41.64 93.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.484 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 590' ' ' ALA . 4.8 m -59.22 -57.08 14.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.439 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 61.9 mt -45.9 -34.08 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.364 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 4.1 t -77.91 -34.08 51.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.394 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -52.05 -31.41 29.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.456 ' O ' ' O ' ' A' ' 592' ' ' GLU . 7.6 pt -114.18 141.4 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.523 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' A' ' 591' ' ' ILE . 93.0 mt-10 -49.73 -103.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.656 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 66.7 m80 42.31 75.19 0.65 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.625 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.29 16.83 0.67 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.915 2.41 . . . . 0.0 111.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 28.7 mtt -85.26 -39.85 17.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.626 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 17.3 p -75.2 -3.31 32.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 28.9 t -42.62 -26.74 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.14 -58.04 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.623 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.22 -26.15 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -67.86 -46.34 72.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 64.4 t -68.11 -56.71 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.554 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 29.7 mt -47.08 -72.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 85.4 t -53.95 -30.87 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.464 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.71 -39.97 98.15 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 47.1 t -69.26 -68.54 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.332 . . . . 0.0 110.6 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.31 120.0 25.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.623 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -172.04 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.626 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -65.21 -165.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 59.7 p -57.4 155.8 8.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -164.35 -44.44 0.02 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 3.7 t -166.93 40.58 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 110.57 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.766 0 CA-C-O 118.015 -1.436 . . . . 0.0 110.935 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttp . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -89.73 124.92 35.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.61 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 7.1 pt -127.98 144.12 38.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.588 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.438 ' CE1' ' OG1' ' B' ' 14' ' ' THR . 79.0 m-85 -99.54 142.22 31.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.746 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.6 t -126.24 111.92 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.375 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -90.73 125.09 35.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.432 ' C ' ' H ' ' B' ' 9' ' ' THR . 68.9 p -84.24 145.91 28.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.455 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 tp -71.57 47.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.432 ' H ' ' C ' ' B' ' 7' ' ' THR . 45.6 p -147.68 -46.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.0 63.43 0.03 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -170.18 127.62 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.808 0.337 . . . . 0.0 110.582 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -100.74 157.23 16.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.52 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -142.2 132.31 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.438 ' OG1' ' CE1' ' B' ' 4' ' ' PHE . 66.4 m -99.4 129.08 45.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.414 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.9 mt -129.19 133.91 47.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -91.1 96.9 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.43 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.3 m -119.84 -165.49 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.67 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.468 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 31.5 mt-10 -149.04 148.59 27.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.251 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.77 -17.4 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.83 2.353 . . . . 0.0 112.182 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.12 17.27 18.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.468 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 1.4 m-20 -93.22 131.33 38.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.488 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.421 ' O ' ' N ' ' B' ' 25' ' ' ASN . 2.4 p -80.23 134.92 36.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.452 HG22 HD11 ' B' ' 23' ' ' ILE . 28.5 mm -41.3 -53.23 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.375 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -49.29 -39.05 29.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.367 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.542 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 8.0 t-20 -63.12 -43.0 99.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.33 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 26.3 t -61.71 -52.06 65.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.197 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -50.31 -40.25 48.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.268 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.99 90.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.261 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.542 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 53.2 mttp -56.31 -39.22 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.274 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.7 mt -66.47 -43.77 90.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.425 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.6 -27.98 65.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.522 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -80.6 -28.38 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.574 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -78.49 -58.67 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.562 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -91.47 -102.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.615 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.71 7.72 0.03 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.3 mt -82.54 125.89 75.01 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.608 0.242 . . . . 0.0 110.568 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.92 145.7 36.36 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.734 2.289 . . . . 0.0 111.971 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.509 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.0 -65.55 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.871 2.381 . . . . 0.0 111.999 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' B' ' 38' ' ' PRO . 32.8 t0 -37.21 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.746 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' B' ' 38' ' ' PRO . 76.9 mm-40 -105.44 59.93 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -156.16 159.52 39.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.415 ' NE ' ' O ' ' B' ' 72' ' ' ARG . 23.5 ttm180 -160.36 94.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 mt -79.58 120.3 23.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.662 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 mt -120.82 130.51 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.494 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -121.97 117.82 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.538 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.07 26.93 5.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.19 -14.48 65.12 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.483 ' NZ ' ' O ' ' C' ' 75' ' ' GLY . 41.3 mttm -79.87 105.14 10.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 0.0 110.61 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.421 ' OE1' ' O ' ' B' ' 50' ' ' LEU . 0.5 OUTLIER -71.67 120.67 17.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.458 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.472 ' CD2' ' CD2' ' B' ' 59' ' ' TYR . 20.8 mt -81.69 115.18 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.641 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -81.8 157.92 24.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.479 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -70.65 145.14 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.525 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 103.19 -67.38 0.33 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' B' ' 53' ' ' GLY . 3.0 mmt-85 -44.22 170.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.6 p -112.47 163.96 13.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 56.7 mt -61.81 -18.06 58.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.629 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.555 ' C ' ' H ' ' B' ' 59' ' ' TYR . 11.0 t -72.06 -34.99 69.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.606 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.44 ' C ' ' CD1' ' B' ' 59' ' ' TYR . 6.6 m-20 -73.16 28.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.584 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.555 ' H ' ' C ' ' B' ' 57' ' ' SER . 81.4 m-85 -151.79 -4.52 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.525 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 65.29 23.46 12.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.0 94.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.446 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.28 -159.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.657 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -83.41 160.18 21.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.737 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 58.5 35.35 24.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.736 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.3 m -89.66 134.99 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.478 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -94.16 95.32 8.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.497 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.07 126.19 32.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.62 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -84.78 100.02 11.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.423 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.9 97.89 8.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 t -96.39 143.26 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.501 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 17.5 mt -96.98 81.08 3.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.565 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.523 ' NH2' ' O ' ' A' ' 517' ' ' ASP . 0.0 OUTLIER -164.84 111.7 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.543 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' B' ' 74' ' ' ARG . 17.4 tp -160.55 110.66 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.497 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' B' ' 73' ' ' LEU . 53.0 mtt180 -49.11 179.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.542 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.05 -103.02 2.95 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.745 0 CA-C-O 117.94 -1.478 . . . . 0.0 110.994 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -104.48 103.17 12.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.9 pt -94.97 158.86 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . 0.459 ' CE2' ' OG1' ' C' ' 14' ' ' THR . 15.9 m-85 -120.29 145.15 47.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.776 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 53.5 t -121.79 108.16 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.365 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -89.79 120.64 31.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.583 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 43.1 p -77.78 156.42 30.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.54 -38.71 87.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.515 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' THR . . . . . 0.598 ' HG1' ' H ' ' C' ' 10' ' ' GLY . 43.3 p -60.32 -68.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.649 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . 0.598 ' H ' ' HG1' ' C' ' 9' ' ' THR . . . 165.0 83.09 0.05 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -172.5 165.69 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.506 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 8.2 m -141.35 130.89 23.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -118.49 128.27 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.662 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' THR . . . . . 0.459 ' OG1' ' CE2' ' C' ' 4' ' ' PHE . 7.1 m -101.95 125.5 48.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.423 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -128.96 139.45 52.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.732 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -88.07 94.29 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.398 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -114.37 -179.57 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.801 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.439 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.2 mt-10 -127.14 174.42 4.27 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.204 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.21 -22.11 14.79 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.761 2.308 . . . . 0.0 112.029 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 2.1 p -91.32 -9.51 44.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.53 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 18.9 m-20 -61.64 137.33 58.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.574 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 71.4 p -89.94 142.08 28.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.586 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mm -43.7 -54.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.423 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -45.23 -45.68 11.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.93 -45.87 89.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.36 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.61 -53.04 46.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.247 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -50.43 -36.27 32.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.16 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.41 94.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.397 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -61.57 -37.64 84.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.522 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.3 mt -67.3 -41.3 86.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.439 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.68 -38.65 85.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.57 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -71.58 -23.37 61.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -80.89 -58.31 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -96.8 -86.36 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.58 20.06 0.03 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.532 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 54.4 mt -87.37 116.52 66.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.71 0.29 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.88 135.37 17.66 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.654 2.236 . . . . 0.0 111.818 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.7 -61.9 0.53 Allowed 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.684 2.256 . . . . 0.0 112.008 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -39.66 -34.17 0.23 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.765 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -99.75 63.94 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.714 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 74.5 mt-30 -151.9 89.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.639 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -88.5 108.83 19.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.333 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -102.63 131.64 49.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . 0.44 HD13 HG21 ' C' ' 44' ' ' ILE . 41.8 mt -129.29 132.23 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.245 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' C' ' 47' ' ' GLY . 50.1 t80 -101.45 70.21 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.755 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' C' ' 45' ' ' PHE . . . 31.31 35.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.782 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -160.16 -55.74 0.01 OUTLIER Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 50.7 mttm -155.74 176.85 12.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.643 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -86.59 157.44 19.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.619 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 19.6 mt -100.16 116.64 32.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.515 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -81.79 148.89 28.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.544 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -66.03 147.95 52.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.579 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 97.88 -61.32 0.97 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . 0.629 ' HE ' ' N ' ' C' ' 54' ' ' ARG . 4.7 mmp_? -45.11 171.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 0.0 110.567 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.45 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 33.9 p -115.84 165.47 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 83.9 mt -69.68 -4.71 20.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.652 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.45 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 5.4 p -91.89 -16.52 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.54 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.49 -10.46 59.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.57 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -110.87 6.66 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.55 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 60.02 25.46 14.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.625 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.9 mt -73.11 117.37 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.442 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -95.09 -161.25 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -85.26 154.8 21.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 60.92 27.05 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.71 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -92.66 132.46 36.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -82.26 152.35 26.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.597 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mt -139.6 114.68 9.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.586 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -67.6 116.2 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.513 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 38.0 tp -106.05 128.76 54.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.617 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 t -133.03 119.52 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.441 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.85 166.89 12.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -100.51 83.99 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.402 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 10.1 mp 56.75 170.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.477 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -40.14 156.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.486 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . 0.483 ' O ' ' NZ ' ' B' ' 48' ' ' LYS . . . -153.63 -123.9 0.95 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 77.5 p -61.99 109.17 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.619 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -168.24 -39.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.575 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 19.6 pt -63.56 -11.32 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.598 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 3.6 t -51.49 -40.16 58.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.603 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 5.9 m -45.17 -60.5 2.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.638 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -57.13 -44.75 83.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -53.98 -71.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.61 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 21.2 mm -54.27 -50.28 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 24.4 tp -43.25 -54.35 4.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -52.25 -67.82 1.87 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.531 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 10.4 mp -52.27 -22.24 4.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.767 0.318 . . . . 0.0 110.548 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' ' 496' ' ' ALA . . . -60.4 -79.2 0.12 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 25.6 pt -58.09 -4.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 110.602 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -76.31 -54.01 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 42.8 m-85 -46.51 -35.4 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.526 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -51.81 -10.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -55.14 -60.68 8.38 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 31.2 t -158.86 -108.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.585 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -170.01 76.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.523 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -80.38 -175.45 5.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.625 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -103.75 2.29 32.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.554 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.28 -38.38 20.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.111 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.7 t -43.11 -59.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.408 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.417 ' C ' ' H ' ' A' ' 508' ' ' LEU . 15.1 mt -73.71 -31.14 63.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.539 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -71.21 5.96 8.21 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' A' ' 506' ' ' LEU . 5.6 tp -136.08 -47.03 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 110.765 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.08 -53.97 17.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.901 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 514' ' ' ALA . 0.7 OUTLIER -48.26 -60.44 4.41 Favored Pre-proline 0 C--N 1.33 -0.273 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.535 -179.795 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.41 -51.74 8.36 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.56 2.173 . . . . 0.0 111.754 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.29 -12.8 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.483 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -141.14 30.73 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -155.06 -35.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.724 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 514' ' ' ALA . 87.3 p -30.42 -61.79 0.16 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.655 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 515' ' ' SER . 54.1 m -170.04 -52.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.543 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.435 ' O ' ' O ' ' A' ' 518' ' ' LEU . 57.9 m-20 -144.51 -84.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 517' ' ' ASP . 16.4 mt 59.18 148.23 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.434 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.74 123.08 4.53 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.828 2.352 . . . . 0.0 111.904 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 62.1 mt -72.39 -21.93 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.526 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -58.96 -48.73 80.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.558 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 68.4 p -79.66 -44.57 20.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.604 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -59.68 -10.95 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.553 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.39 -62.23 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 66.7 mtt -62.23 -41.63 98.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -54.85 -57.22 12.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 87.8 p -52.76 -33.92 50.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -62.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.474 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -51.38 -25.36 6.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.48 -63.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -57.72 -44.11 85.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.459 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . 0.499 ' HD1' ' C ' ' A' ' 532' ' ' HIS . 6.1 t-80 -45.82 -40.95 10.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.527 ' C ' ' H ' ' A' ' 535' ' ' VAL . 90.5 t -78.64 -58.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.557 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -72.08 16.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.561 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.527 ' H ' ' C ' ' A' ' 533' ' ' VAL . 10.8 p -53.16 -42.72 47.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.547 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . 0.439 ' N ' ' CG1' ' A' ' 535' ' ' VAL . . . -70.83 -69.86 1.31 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.537 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 2.2 t -64.24 -170.79 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.828 0.347 . . . . 0.0 110.559 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.537 ' N ' ' OG1' ' A' ' 537' ' ' THR . 42.8 t -166.48 157.32 12.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 41.0 m-80 -161.61 141.53 10.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.24 -42.99 93.91 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -42.66 -48.36 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.579 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 38.3 mt -59.9 -43.13 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.523 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 51.9 m -62.53 -49.94 73.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 548' ' ' ASP . 72.2 p -57.74 -43.46 85.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.435 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 24.2 p -63.95 -42.5 97.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.16 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.81 -29.84 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.301 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.4 tpt -70.92 -38.52 72.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.429 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 544' ' ' THR . 5.8 m-20 -63.2 -41.13 99.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.41 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -63.46 -36.24 83.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.581 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.07 -54.47 45.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.3 -36.93 82.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.691 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -82.29 29.37 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.553 HH12 ' CG ' ' A' ' 595' ' ' MET . 32.5 ptt180 -76.08 135.86 39.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.539 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.651 ' C ' ' H ' ' A' ' 556' ' ' ILE . 41.0 p -109.29 141.97 40.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -69.06 27.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.203 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.651 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.5 OUTLIER -75.75 -23.82 16.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.614 -179.828 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -74.12 -95.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.66 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 560' ' ' THR . 9.4 mt 60.98 170.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.525 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 45.2 mttp 57.04 -83.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.614 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 558' ' ' LEU . 15.0 t -64.34 150.66 45.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.587 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -81.72 167.05 19.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.408 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 9.4 p-90 -172.84 -19.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.7 p -72.92 -18.46 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.534 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -60.11 -66.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.535 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -63.95 -52.3 60.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.3 tp -45.93 -56.43 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -57.96 -53.0 63.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.495 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 25.9 tp -45.32 -54.29 7.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.48 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -46.87 -62.47 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 54.3 tp -50.34 -27.9 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.503 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -76.12 -76.74 0.79 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . 0.404 ' C ' ' N ' ' A' ' 574' ' ' TYR . 8.6 tp -43.77 -33.37 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.348 . . . . 0.0 110.566 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.9 tp -44.31 -23.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.404 ' N ' ' C ' ' A' ' 572' ' ' ILE . 75.1 m-85 -125.36 125.82 44.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.2 mtt -79.03 -102.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -83.77 -110.53 0.56 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 50.0 -163.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.811 0.338 . . . . 0.0 110.618 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.43 ' O ' ' OD1' ' A' ' 582' ' ' ASP . . . 174.1 -53.77 0.14 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -47.39 -50.61 22.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.579 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.59 -55.08 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 89.8 t -53.93 -49.22 60.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.604 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 578' ' ' GLY . 3.6 m-20 -45.07 -38.23 4.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.587 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -70.35 -43.33 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.584 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 92.3 t -52.95 -58.91 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.497 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 585' ' ' LEU . 10.7 mp -53.42 -46.87 69.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.473 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -48.64 -28.99 3.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.435 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 14.6 m -76.66 -41.59 45.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.513 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.19 -34.43 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.548 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.1 m -77.02 -33.99 57.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' C' ' 47' ' ' GLY . . . -58.45 -61.4 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.563 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 18.8 tt -80.58 165.4 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -40.46 144.46 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.683 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.502 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 6.9 p-80 -165.73 74.65 1.31 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 -66.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 123.036 2.491 . . . . 0.0 111.94 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.553 ' CG ' HH12 ' A' ' 553' ' ' ARG . 10.6 ptp -83.25 -42.5 17.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.565 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.7 p -49.33 -14.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.548 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.456 ' H ' ' C ' ' A' ' 595' ' ' MET . 94.3 p -55.61 -24.4 33.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.569 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.38 -33.75 76.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.527 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 13.4 mt -77.26 -56.34 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.413 ' O ' ' OE2' ' A' ' 600' ' ' GLU . 3.1 tm-20 -45.71 -40.25 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.632 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 70.4 t -70.48 -43.95 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.568 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.01 -74.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.57 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 76.0 t -52.59 -19.9 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.553 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.26 -54.87 32.83 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 68.7 m -72.41 -58.03 3.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.578 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 27.4 p -79.03 121.25 24.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 608' ' ' TYR . . . -175.0 -67.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.608 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 610' ' ' GLY . 14.4 m-85 -59.5 -147.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 58.3 p -48.24 88.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.606 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 608' ' ' TYR . . . -86.94 -99.42 0.83 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 19.6 p 46.84 75.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.543 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.753 0 CA-C-O 118.015 -1.436 . . . . 0.0 110.925 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.493 ' N ' ' O ' ' B' ' 17' ' ' VAL . 22.8 ttp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -93.66 117.85 30.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.698 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.2 pt -126.42 153.64 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.561 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -111.2 154.39 24.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 54.1 t -131.35 103.51 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.193 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -86.3 121.11 28.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.681 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.0 p -89.02 151.37 22.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.352 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tp -70.78 50.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.5 p -146.33 -37.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.461 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.96 -12.75 3.62 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -87.19 137.28 32.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.601 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -123.51 124.79 43.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -96.29 173.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.687 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.5 m -143.94 101.62 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.337 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.436 ' CD1' ' N ' ' B' ' 15' ' ' LEU . 8.6 mp -105.17 137.97 42.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.855 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -94.7 83.04 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.267 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.9 m -99.78 -165.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.56 ' C ' ' H ' ' B' ' 20' ' ' SER . 38.6 mt-10 -145.68 145.22 24.8 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.3 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.68 -7.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.826 2.351 . . . . 0.0 112.277 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.56 ' H ' ' C ' ' B' ' 18' ' ' GLU . 1.4 p -97.74 -39.85 8.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.791 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.419 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 5.9 m-20 -41.23 146.13 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.676 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.9 p -93.73 145.41 24.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.558 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.7 mm -47.0 -53.33 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.533 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -48.24 -44.63 33.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.442 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -59.2 -40.14 84.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.355 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.14 -47.33 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.272 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -54.92 -35.84 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.347 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.14 -50.38 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.45 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -55.33 -34.61 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.492 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 14.8 mt -70.74 -49.79 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.401 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' B' ' 31' ' ' GLN . 0.7 OUTLIER -53.97 -26.51 26.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.449 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -81.26 -36.02 30.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -70.96 -58.72 3.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -85.65 -86.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.522 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.26 5.46 0.05 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.6 mt -79.42 133.28 60.19 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.7 0.286 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.34 143.0 34.39 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.579 2.186 . . . . 0.0 111.948 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.24 -67.4 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.844 2.363 . . . . 0.0 112.024 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -43.07 -19.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.661 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' B' ' 38' ' ' PRO . 32.0 mm-40 -109.21 57.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.643 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -155.64 163.82 39.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.487 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -159.64 93.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.98 126.83 31.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.57 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mt -130.44 131.79 65.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -139.94 122.87 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.471 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.19 48.23 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.33 43.08 51.21 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.465 ' CB ' ' NZ ' ' B' ' 48' ' ' LYS . 4.9 ttpm? -152.69 128.25 10.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.786 0.327 . . . . 0.0 110.571 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.587 ' NE2' ' NH1' ' B' ' 72' ' ' ARG . 12.1 tt0 -77.82 143.53 37.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.7 mt -93.91 126.63 39.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.638 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -84.15 158.23 21.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.6 158.37 29.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.505 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.85 -60.18 4.2 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -47.06 167.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.535 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.49 ' HG1' ' H ' ' B' ' 57' ' ' SER . 44.7 p -106.92 173.69 6.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.51 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 61.4 mt -75.96 1.91 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.49 ' H ' ' HG1' ' B' ' 55' ' ' THR . 2.0 t -95.67 -42.92 8.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.547 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.88 -35.08 22.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.499 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -90.22 -8.27 51.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' B' ' 60' ' ' ASN . 0.8 OUTLIER 68.37 41.61 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.712 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 80.9 mt -80.65 103.2 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.372 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -78.2 -163.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -86.48 160.74 18.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.796 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 60.53 37.34 19.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.816 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -94.73 134.74 36.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.436 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -91.8 86.93 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mp -69.5 112.13 5.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -75.96 101.13 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.493 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 tp -84.37 94.46 8.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.393 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -98.21 149.89 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 mp -111.8 72.39 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.487 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.587 ' NH1' ' NE2' ' B' ' 49' ' ' GLN . 18.8 mtm180 -70.03 174.4 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.611 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 22.9 mt 57.15 172.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.594 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -167.53 1.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.84 -85.07 0.07 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.744 0 CA-C-O 117.953 -1.47 . . . . 0.0 110.918 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.544 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -108.04 114.55 28.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.516 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -106.32 153.68 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . 0.548 ' CE2' ' OG1' ' C' ' 14' ' ' THR . 55.7 m-85 -104.52 144.42 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.665 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -121.9 106.42 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.263 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -90.52 125.78 35.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.67 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.431 ' OG1' ' OG1' ' C' ' 9' ' ' THR . 13.9 p -94.35 144.14 25.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.466 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.89 -32.75 54.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.469 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' THR . . . . . 0.431 ' OG1' ' OG1' ' C' ' 7' ' ' THR . 27.0 p -55.81 -81.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.518 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.7 66.86 0.04 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -173.41 151.9 2.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.773 0.32 . . . . 0.0 110.51 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -121.36 153.78 37.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.476 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -135.11 131.88 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.688 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' THR . . . . . 0.548 ' OG1' ' CE2' ' C' ' 4' ' ' PHE . 3.5 m -100.72 119.52 38.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.407 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -121.82 137.22 54.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.793 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -85.5 111.11 19.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.321 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.544 ' O ' ' N ' ' C' ' 1' ' ' MET . 11.3 m -132.35 169.57 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.751 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.603 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 99.0 mt-10 -125.04 147.9 58.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.404 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.53 -20.22 0.56 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.773 2.315 . . . . 0.0 112.06 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.463 ' H ' ' HG ' ' C' ' 20' ' ' SER . 1.0 OUTLIER -98.59 17.59 18.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.669 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.603 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 20.0 m-20 -89.0 131.96 34.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.527 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.5 p -82.96 141.09 32.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.641 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 33.0 mm -45.76 -49.22 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.385 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -52.37 -37.22 55.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.372 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -64.16 -45.3 89.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.301 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.31 -48.39 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.261 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -53.3 -40.71 64.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.292 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.82 -45.02 95.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.357 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -58.0 -41.25 82.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.373 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.2 mt -65.48 -37.31 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.447 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -63.2 -32.74 74.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.415 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -76.18 -27.78 57.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -80.03 -63.04 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -87.58 -99.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.574 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.95 28.25 0.02 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.412 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 30.4 mt -97.38 100.11 7.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.701 0.286 . . . . 0.0 110.519 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -44.94 140.15 7.29 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.734 2.289 . . . . 0.0 111.984 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.585 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.65 -41.39 24.24 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.783 2.322 . . . . 0.0 111.892 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.24 20.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.585 ' H ' ' C ' ' C' ' 38' ' ' PRO . 21.1 mt-30 -151.82 54.7 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.526 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -144.87 155.44 43.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.696 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -146.67 96.05 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.396 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.8 mt -91.98 124.34 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.74 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . 0.445 HG22 HD13 ' C' ' 44' ' ' ILE . 37.5 mt -122.23 135.53 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.297 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.541 ' O ' ' N ' ' C' ' 47' ' ' GLY . 71.9 t80 -149.15 -80.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.694 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' C' ' 48' ' ' LYS . . . -63.06 67.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.466 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 42.86 18.0 0.04 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' C' ' 46' ' ' ALA . 55.0 mttm -156.79 -177.26 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.903 0.382 . . . . 0.0 110.708 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -91.66 156.79 17.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.589 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.09 115.41 27.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.523 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -66.59 154.88 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.604 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.8 115.59 21.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.6 -57.36 0.69 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -51.89 174.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.457 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.479 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 30.7 p -115.27 166.59 11.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.613 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.18 -15.53 63.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.479 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 6.8 p -79.67 -23.81 42.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.553 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.04 -37.89 72.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' C' ' 60' ' ' ASN . 74.4 m-85 -90.33 22.86 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . 0.496 ' O ' ' NE2' ' C' ' 62' ' ' GLN . 18.5 p30 42.87 30.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.653 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 60.2 mt -72.51 113.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.437 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' C' ' 60' ' ' ASN . 12.4 mp0 -83.41 -161.89 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.644 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -87.56 157.34 19.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.668 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 58.46 31.0 20.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.818 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 18.2 m -84.91 139.61 31.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.517 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 9.2 m -88.85 122.54 32.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.599 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mp -107.91 117.01 33.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.512 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -76.08 98.6 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.474 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . 0.42 HD12 ' H ' ' C' ' 70' ' ' VAL . 55.0 tp -91.34 136.73 32.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.712 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.42 ' H ' HD12 ' C' ' 69' ' ' LEU . 6.8 t -145.15 125.84 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.464 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.66 ' H ' ' CD2' ' C' ' 71' ' ' LEU . 1.3 pt? -110.07 164.94 12.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -59.52 -68.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 76.9 mt -141.09 -170.38 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -49.08 134.24 17.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.634 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.16 162.74 31.62 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 52.0 m -77.46 -33.11 54.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.541 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -80.5 113.98 19.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.523 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 13.9 tt -47.29 -23.61 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 49.8 m -67.67 -53.86 24.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 14.6 t -45.45 -69.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -48.75 -50.33 34.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.7 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -47.34 -69.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.634 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 31.4 mm -55.73 -32.88 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.69 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 5.8 tp -61.77 -73.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.477 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -52.77 -39.49 55.32 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.479 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 5.0 tp -66.57 -38.39 86.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.786 0.327 . . . . 0.0 110.495 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.67 65.1 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 95.8 mt -70.67 -11.49 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -72.85 -74.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.626 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 53.3 p90 -79.41 21.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.623 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -41.02 -69.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.49 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -107.99 93.54 0.82 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 37.3 t -152.63 -53.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 110.528 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 35.7 tttp 61.08 55.25 3.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.529 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 7.3 t-20 -85.82 -144.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.447 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . 0.529 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 6.2 p-10 -124.21 -15.37 6.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . 0.449 ' OE2' ' NZ ' ' B' ' 6' ' ' LYS . 16.2 mm-40 -85.86 -19.4 30.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.455 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.7 t -58.02 -48.91 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.495 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 5.6 mt -92.14 -19.91 21.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.559 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -71.24 -12.57 72.52 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 7.5 mp -119.32 -39.39 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.584 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.52 -61.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.626 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 45.1 tp -42.27 -60.54 2.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.74 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.626 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.87 -57.58 2.21 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.523 2.149 . . . . 0.0 111.747 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 72.7 mt -45.55 -22.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -132.77 31.52 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.505 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.531 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -150.86 -36.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.587 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.531 ' C ' ' O ' ' A' ' 514' ' ' ALA . 5.9 p -28.15 -60.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.681 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.507 ' N ' ' OG ' ' A' ' 515' ' ' SER . 43.8 m -166.92 -85.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.636 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -139.52 56.46 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.37 152.75 95.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.385 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . 0.481 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -43.77 128.2 6.71 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.932 2.421 . . . . 0.0 112.079 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . 0.401 ' CG1' ' OE2' ' A' ' 557' ' ' GLU . 19.5 pt -73.71 15.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 519' ' ' PRO . 41.1 mt-10 -85.48 -48.06 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.568 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 4.5 t -97.64 -20.01 17.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.583 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.22 85.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -53.31 -65.76 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 61.1 mtt -52.5 -49.31 65.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.538 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -46.68 -65.4 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.9 t -44.66 -41.65 6.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.658 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.27 -62.5 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.07 -36.29 12.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.19 -61.34 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -59.74 -38.39 81.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -45.32 -49.89 12.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.544 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.478 ' C ' ' H ' ' A' ' 535' ' ' VAL . 91.4 t -76.58 -58.44 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -77.44 31.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.478 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.4 p -63.37 -27.66 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.566 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -74.09 -83.88 0.32 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 8.0 t -72.5 -168.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.437 ' N ' ' OG1' ' A' ' 537' ' ' THR . 8.3 p -174.74 -172.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.569 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.516 ' ND2' ' OD2' ' A' ' 541' ' ' ASP . 47.9 t30 -162.49 167.86 22.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.56 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.25 -48.99 9.94 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.516 ' OD2' ' ND2' ' A' ' 539' ' ' ASN . 5.9 m-20 -45.1 -48.29 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.552 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 88.0 mt -54.26 -38.06 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.6 m -75.88 -56.7 4.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.415 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 77.9 p -43.33 -55.16 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.65 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.41 ' OG ' ' CD1' ' C' ' 73' ' ' LEU . 12.8 m -58.54 -46.41 86.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -32.68 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.472 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 74.5 mmm -72.59 -36.17 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.45 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 544' ' ' THR . 14.2 m-20 -57.66 -39.83 77.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.307 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -69.19 -44.67 71.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.399 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -44.34 -61.41 1.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.36 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.493 ' C ' ' H ' ' A' ' 553' ' ' ARG . 10.8 mp -52.91 -54.29 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.31 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.591 ' O ' ' O ' ' A' ' 553' ' ' ARG . 77.1 mt-10 -71.63 43.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.337 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.679 ' CG ' ' H ' ' A' ' 554' ' ' THR . 17.5 ttm180 -43.99 -177.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.904 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.722 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER -157.79 -80.0 0.07 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 33.99 24.62 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -177.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.722 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.4 tp -102.3 3.82 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.602 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 557' ' ' GLU . 3.0 pp20? -136.61 10.65 3.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.313 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 560' ' ' THR . 6.3 tp -160.67 141.78 11.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.437 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -133.17 8.65 4.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.406 ' H ' ' HG ' ' A' ' 558' ' ' LEU . 24.8 m -67.73 -76.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.534 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 3.2 p30 -161.58 137.84 8.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.615 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -160.44 -51.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.591 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.3 p -48.38 -19.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.629 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -77.37 -38.82 49.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.545 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -66.57 -51.6 54.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.598 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 566' ' ' LEU . 10.0 mp -55.13 -62.93 1.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.505 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -44.17 -48.59 9.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.634 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 13.8 tp -52.8 -71.38 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -45.7 -76.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.552 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 53.7 tp -45.01 -21.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.528 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -76.31 -77.17 0.77 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 8.5 mm -67.47 -2.04 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 110.539 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 17.9 tp -41.29 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.555 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -65.26 -171.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.519 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.1 ttt -152.19 -43.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 176.01 126.39 0.95 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -156.26 -61.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.525 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.569 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . 172.99 -148.21 10.27 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 582' ' ' ASP . 44.2 mt-10 -62.24 3.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.318 . . . . 0.0 110.702 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.638 ' H ' ' NE2' ' A' ' 580' ' ' GLN . 2.7 mp0 -41.21 -51.16 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.519 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 68.8 t -53.43 -37.36 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 579' ' ' GLU . 10.5 t70 -56.91 -46.2 82.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.2 -51.61 67.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.664 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 54.6 t -44.47 -62.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 8.4 mp -47.14 -56.96 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.61 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -40.15 -54.76 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.632 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 16.1 m -50.85 -61.74 2.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.8 mt -42.61 -47.17 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.549 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 4.4 t -68.16 -35.17 77.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.543 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -46.97 -39.26 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.499 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.424 ' O ' ' O ' ' A' ' 592' ' ' GLU . 4.5 mt -92.92 143.26 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.541 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 591' ' ' ILE . 24.4 mt-10 -60.02 -144.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.602 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.439 ' C ' ' H ' ' A' ' 595' ' ' MET . 15.4 m-70 62.81 79.06 0.27 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.536 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.02 29.66 0.36 Allowed 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.9 2.4 . . . . 0.0 111.95 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.439 ' H ' ' C ' ' A' ' 593' ' ' HIS . 15.8 mmt -86.15 -49.09 8.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.488 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 1.8 t -69.78 -3.81 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 15.5 p -43.1 -26.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.605 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -63.05 -50.06 72.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.595 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.57 -27.65 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.644 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -62.48 -51.75 66.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 82.0 t -61.79 -38.23 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.586 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 34.6 tp -54.08 -74.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.485 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 606' ' ' CYS . 59.8 t -54.18 -38.19 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.531 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -54.7 -51.4 52.83 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 21.1 m -54.83 -49.11 71.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.309 . . . . 0.0 110.528 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 603' ' ' VAL . 29.1 t -80.55 119.14 22.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.502 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 174.18 -177.28 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -73.09 -4.61 33.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.543 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 21.9 p -58.94 148.45 30.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 167.86 -101.55 0.18 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 18.5 m -47.63 113.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 110.57 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.813 0 CA-C-O 117.95 -1.472 . . . . 0.0 110.958 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -96.67 102.5 14.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.525 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.3 pt -96.7 151.07 4.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.582 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -105.35 151.78 23.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.537 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 t -130.19 103.12 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.354 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.449 ' NZ ' ' OE2' ' A' ' 504' ' ' GLU . 29.0 ttpt -86.14 126.02 33.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.591 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p -90.44 163.97 14.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.514 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tp -78.98 51.14 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 41.6 p -151.01 -40.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.26 -11.22 2.77 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -82.61 138.24 34.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.797 0.332 . . . . 0.0 110.617 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.4 m -123.13 125.89 46.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.559 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -107.55 149.99 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.638 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -119.24 132.1 55.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.398 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.6 mt -132.14 133.73 44.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -85.43 79.78 9.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.409 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 m -97.99 -177.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.471 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 3.1 mt-10 -128.75 175.48 3.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.3 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.72 -24.16 13.73 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.771 2.314 . . . . 0.0 112.034 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -92.45 5.27 51.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.414 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.471 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 15.2 m-20 -75.68 135.42 40.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.581 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 4.0 p -87.09 143.75 27.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.686 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.444 HD13 HG23 ' B' ' 23' ' ' ILE . 30.2 mm -46.97 -53.63 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.368 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -48.29 -37.95 17.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.333 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.676 ' ND2' ' HZ2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -63.46 -47.96 79.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.174 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.1 t -56.82 -52.45 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.16 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -51.91 -32.44 32.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.148 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.85 -44.28 81.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.273 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.676 ' HZ2' ' ND2' ' B' ' 25' ' ' ASN . 48.2 mttp -62.97 -32.69 74.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.362 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 11.6 mt -72.37 -37.57 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.493 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -65.0 -39.24 93.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.46 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -71.12 -29.32 65.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -76.15 -59.86 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.624 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -90.93 -96.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.595 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.6 18.68 0.02 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.48 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 57.5 mt -93.64 102.92 8.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.624 0.25 . . . . 0.0 110.482 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.42 142.54 6.47 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.634 2.223 . . . . 0.0 111.867 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' B' ' 39' ' ' ASP . 2.7 Cg_endo -46.16 -66.4 0.15 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.792 2.328 . . . . 0.0 112.01 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' B' ' 38' ' ' PRO . 17.0 m-20 -38.47 -32.8 0.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -96.66 59.78 1.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.621 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 60.0 mt-30 -155.8 163.26 40.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.558 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.463 ' CZ ' ' OE1' ' B' ' 49' ' ' GLN . 7.7 tpt180 -154.41 91.47 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.587 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.87 122.36 28.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.503 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.2 mt -128.44 135.27 62.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.484 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -143.36 133.76 24.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.77 30.74 18.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.532 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.06 37.45 87.41 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -144.92 129.83 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.522 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.463 ' OE1' ' CZ ' ' B' ' 42' ' ' ARG . 38.9 mt-30 -77.91 130.4 36.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 mt -83.92 100.13 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.565 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -62.31 154.17 28.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.607 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -73.21 128.01 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 119.6 -63.27 0.46 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' B' ' 53' ' ' GLY . 13.1 mmt85 -43.58 168.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.478 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.421 ' C ' ' H ' ' B' ' 57' ' ' SER . 15.8 p -113.38 159.58 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.4 mt -63.25 -4.08 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.491 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.421 ' H ' ' C ' ' B' ' 55' ' ' THR . 2.5 t -90.95 -19.63 23.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.55 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.83 -36.47 50.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.572 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -88.35 6.6 36.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.538 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.423 ' N ' ' ND2' ' B' ' 60' ' ' ASN . 3.0 m120 60.61 18.39 8.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.21 111.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -86.45 -161.4 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.665 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -86.4 160.21 19.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.759 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 58.66 24.84 12.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.821 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -79.95 133.81 36.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.397 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -87.03 99.89 12.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.681 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.8 mp -83.06 114.27 21.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.451 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -76.97 108.29 9.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.506 ' C ' ' CD2' ' B' ' 69' ' ' LEU . 5.9 tt -92.48 115.78 28.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.381 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -119.74 160.89 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' B' ' 72' ' ' ARG . 82.3 mt -97.03 163.23 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 10.7 ttt-85 78.16 154.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' B' ' 73' ' ' LEU . 0.7 OUTLIER -157.7 -168.82 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.653 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -51.79 124.82 13.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.512 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -47.44 173.03 0.03 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.777 0 CA-C-O 118.054 -1.415 . . . . 0.0 110.897 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.466 ' N ' ' O ' ' C' ' 17' ' ' VAL . 1.3 ptt? . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -96.36 111.39 23.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -103.76 148.75 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -103.91 131.44 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.597 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 54.4 t -112.25 112.96 42.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -91.58 129.3 37.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.482 ' C ' ' H ' ' C' ' 9' ' ' THR . 45.9 p -94.65 145.27 24.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.613 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.73 43.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' THR . . . . . 0.482 ' H ' ' C ' ' C' ' 7' ' ' THR . 31.9 p -143.51 -20.74 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.599 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.66 58.45 0.49 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -163.37 124.22 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -102.15 157.31 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.607 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -143.2 133.29 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.655 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -98.72 128.17 44.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.398 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -131.17 129.07 41.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.708 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -80.32 98.56 7.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.372 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.9 m -122.71 165.25 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.732 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.561 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 28.5 mt-10 -123.07 147.92 52.98 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.353 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.5 -17.99 0.27 Allowed 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.805 2.337 . . . . 0.0 112.024 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.404 ' N ' ' O ' ' C' ' 18' ' ' GLU . 0.9 OUTLIER -100.66 19.06 17.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.561 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 9.5 m-20 -91.72 132.54 36.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.496 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' THR . . . . . 0.416 ' O ' ' N ' ' C' ' 25' ' ' ASN . 3.0 p -83.2 138.35 33.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.579 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -40.96 -56.04 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.563 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -47.83 -37.83 14.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.385 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . 0.613 ' ND2' ' NZ ' ' C' ' 29' ' ' LYS . 0.2 OUTLIER -64.07 -42.23 97.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.183 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -62.19 -50.93 78.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.152 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -51.17 -41.23 60.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.252 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.43 98.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.343 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . 0.613 ' NZ ' ' ND2' ' C' ' 25' ' ' ASN . 58.5 mttp -58.85 -40.78 85.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.444 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 5.6 mt -65.64 -38.46 82.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.299 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -60.98 -37.14 81.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.22 -27.29 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -77.16 -59.29 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.491 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -95.56 -99.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.613 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.72 10.95 0.03 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 61.4 mt -81.23 125.89 78.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.591 0.234 . . . . 0.0 110.552 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.53 141.99 32.18 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.7 2.267 . . . . 0.0 111.905 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.48 -60.19 0.95 Allowed 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.881 2.387 . . . . 0.0 112.065 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -44.26 -14.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.786 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.537 ' N ' ' O ' ' C' ' 38' ' ' PRO . 11.4 mm100 -119.93 62.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.694 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -156.87 143.08 18.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.728 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -136.07 102.23 4.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.235 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 mt -95.91 135.56 37.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.775 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 13.7 mt -133.56 139.09 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.439 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.573 ' O ' ' N ' ' C' ' 47' ' ' GLY . 79.0 t80 -137.75 161.84 35.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . 0.438 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . 48.44 -84.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.575 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -159.4 31.47 0.43 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -152.6 162.47 41.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 110.62 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -92.23 146.19 23.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.494 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.52 131.18 34.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.631 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -91.04 150.11 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.678 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -72.81 100.69 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.533 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.59 -61.38 0.45 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -49.66 171.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.441 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.44 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 12.0 p -110.21 167.11 10.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.4 -22.4 66.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.639 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.44 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 7.1 p -74.62 -12.64 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.582 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -87.16 -2.92 58.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -123.85 12.04 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.587 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 55.31 27.76 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.605 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -76.74 99.8 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.523 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -76.59 -170.68 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.609 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . 0.45 ' NZ ' ' CB ' ' C' ' 63' ' ' LYS . 0.3 OUTLIER -77.54 159.26 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.725 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 56.21 29.46 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.756 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 58.0 m -85.68 137.78 32.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 28.6 m -93.5 109.54 21.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.595 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mp -93.68 165.72 12.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -113.66 103.28 11.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 42.8 tp -96.44 130.75 43.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.448 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.91 134.02 60.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.514 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 mt -82.13 161.56 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.565 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -73.92 -51.16 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' C' ' 74' ' ' ARG . 16.8 tp -174.51 105.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.506 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' C' ' 73' ' ' LEU . 38.2 ttm-85 54.98 109.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.59 144.36 45.98 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 23.6 m -46.51 134.16 9.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.553 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -65.82 101.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.532 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 16.6 tt -53.33 -31.27 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 6.0 m -50.9 -21.05 1.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.55 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 14.7 t -76.57 -56.5 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -66.07 -20.86 66.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.496 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -71.61 -64.25 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 5.0 mm -52.41 -39.36 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.545 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 11.5 tp -55.44 -69.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -53.86 -55.16 27.05 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.529 ' O ' ' CE1' ' A' ' 497' ' ' PHE . 6.0 tp -48.45 -44.23 35.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.543 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.3 -39.4 71.84 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 72.5 mt -91.09 -6.44 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.66 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.458 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -72.45 -64.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.565 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.529 ' CE1' ' O ' ' A' ' 493' ' ' LEU . 47.5 p90 -78.31 24.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -38.65 -68.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.45 97.6 1.12 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 36.2 p -171.35 -48.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 110.599 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 51.8 mttp 55.81 77.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.659 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' A' ' 504' ' ' GLU . 4.6 m-20 -110.99 143.61 41.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.502 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.28 -1.13 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.512 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . 0.491 ' H ' ' C ' ' A' ' 502' ' ' ASN . 31.3 tt0 -86.32 -47.35 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.431 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 24.6 t -44.09 -58.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.446 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 508' ' ' LEU . 22.0 mt -66.17 -48.11 71.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.54 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' B' ' 68' ' ' HIS . . . -43.27 -16.26 0.03 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 506' ' ' LEU . 36.1 tp -118.45 -42.83 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.97 -44.92 87.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.75 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.543 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 6.9 mt -50.08 -65.9 0.76 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.633 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.7 -55.44 3.57 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.66 2.24 . . . . 0.0 111.836 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 61.3 mt -45.98 -26.17 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.515 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -135.82 31.57 3.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.528 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -151.9 -35.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.771 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 514' ' ' ALA . 10.3 t -27.36 -75.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.693 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 515' ' ' SER . 1.2 m -169.4 -46.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -132.16 -97.57 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.622 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 12.8 mt 61.05 146.79 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.467 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.96 117.48 1.57 Allowed 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.832 2.355 . . . . 0.0 112.016 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 18.5 pt -66.98 -20.12 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.543 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -70.69 -66.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 66.8 p -57.93 -37.83 74.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.79 89.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.584 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -49.01 -37.71 21.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.522 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 15.5 ttt -70.81 -37.37 73.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.565 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.81 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.562 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 24.5 p -55.81 -41.21 73.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.5 tt -50.42 -66.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -50.36 -37.27 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.28 -59.51 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.488 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -64.9 -36.82 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -46.28 -43.75 15.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.546 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.45 ' C ' ' H ' ' A' ' 535' ' ' VAL . 88.8 t -85.26 -46.82 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -75.25 14.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.45 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.1 p -53.72 -21.42 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.73 -102.56 0.31 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 4.4 t -62.86 -169.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.579 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.522 ' O ' ' ND2' ' A' ' 539' ' ' ASN . 20.2 p -162.96 177.5 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 39.7 m-80 -161.37 167.36 25.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 543' ' ' THR . . . -81.15 -49.57 5.51 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.419 ' O ' ' OG ' ' A' ' 545' ' ' SER . 49.2 m-20 -43.0 -35.99 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.484 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.07 -36.64 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.578 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 540' ' ' GLY . 90.2 m -81.47 -57.81 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 543' ' ' THR . 82.1 p -39.56 -41.41 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 541' ' ' ASP . 2.4 p -73.32 -57.56 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.333 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -30.38 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.462 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' MET . . . . . 0.528 ' SD ' ' CD1' ' C' ' 8' ' ' LEU . 22.3 ttm -72.26 -45.22 61.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.553 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -48.95 -42.29 36.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.382 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -67.81 -46.05 72.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -46.6 -43.21 17.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 48.1 mt -64.88 -64.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.42 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' A' ' 553' ' ' ARG . 8.7 mm-40 -83.34 33.88 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.355 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.508 ' O ' ' O ' ' A' ' 552' ' ' GLU . 30.1 ptt180 -53.76 -119.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.959 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.669 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 176.51 -73.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 35.1 26.19 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -177.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.669 ' N ' ' O ' ' A' ' 554' ' ' THR . 2.0 tp -104.03 10.74 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.71 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -86.86 -26.49 23.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.53 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 558' ' ' LEU . 3.7 mm? 56.43 91.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.627 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.454 ' CG ' ' H ' ' A' ' 560' ' ' THR . 15.2 tptm -174.02 -130.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.454 ' H ' ' CG ' ' A' ' 559' ' ' LYS . 64.9 p -48.17 174.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.54 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -77.02 -178.1 4.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.539 ' CE3' ' N ' ' A' ' 563' ' ' VAL . 40.3 p-90 -173.24 -55.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.539 ' N ' ' CE3' ' A' ' 562' ' ' TRP . 11.5 p -42.13 -39.84 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.569 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -51.73 -61.76 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 568' ' ' LEU . 95.9 m-85 -49.18 -59.79 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.636 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 11.0 mp -43.36 -55.58 4.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.493 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -56.58 -24.97 51.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 565' ' ' PHE . 1.7 tt -62.94 -67.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.631 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -60.46 -70.85 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 58.4 tp -41.66 -25.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -77.69 -78.19 0.79 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 14.0 mm -58.24 -9.77 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.596 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.4 ' H ' ' C ' ' A' ' 571' ' ' GLY . 17.6 tp -48.6 -71.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -81.5 -171.81 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 18.4 ttt -164.3 -56.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.611 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 158.05 121.43 0.65 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -172.94 6.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.627 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.736 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 159.99 72.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . 0.582 ' C ' ' O ' ' A' ' 578' ' ' GLY . 66.4 mt-10 21.51 39.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.736 ' N ' ' O ' ' A' ' 578' ' ' GLY . 67.5 mt-30 -66.84 -56.8 8.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.464 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 34.9 t -54.06 -27.42 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.436 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.86 -53.66 43.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.451 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.26 -29.01 70.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 78.5 t -64.16 -58.77 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.482 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 19.9 mt -50.03 -39.06 40.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.436 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -58.32 -34.76 70.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.473 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 590' ' ' ALA . 9.3 m -65.24 -56.07 14.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.437 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 8.3 mm -45.03 -39.04 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.37 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 7.6 t -72.41 -33.58 67.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -53.01 -32.14 44.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.476 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.444 ' O ' ' O ' ' A' ' 592' ' ' GLU . 11.5 pt -108.9 161.31 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 591' ' ' ILE . 23.4 mt-10 -59.93 -138.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.578 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 12.4 m80 64.68 74.65 0.4 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.556 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 -23.44 12.92 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.983 2.455 . . . . 0.0 111.941 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 56.6 mtm -63.45 -19.77 65.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 86.1 m -77.07 -12.76 59.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.662 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 25.6 t -44.79 -37.22 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -46.09 -58.16 3.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . 0.4 HD12 HG23 ' A' ' 599' ' ' ILE . 96.2 mt -61.87 -47.3 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -47.43 -51.12 21.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.541 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.81 -52.04 64.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.602 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.8 tp -45.55 -68.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.503 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 41.9 t -56.16 -30.06 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.66 -38.41 94.55 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 31.2 t -65.7 -64.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.742 0.306 . . . . 0.0 110.595 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 48.6 t -88.49 119.78 29.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 608' ' ' TYR . . . -171.41 143.32 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.529 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.43 ' O ' ' O ' ' A' ' 607' ' ' ALA . 12.3 m-85 59.52 145.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 1.1 t -52.33 -20.02 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.569 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -74.61 128.28 10.26 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' THR . . . . . 0.417 ' O ' ' OXT' ' A' ' 612' ' ' GLY . 96.8 m -97.22 -54.81 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.506 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . 0.417 ' OXT' ' O ' ' A' ' 611' ' ' THR . . . . . . . . 0 C--O 1.22 -0.781 0 CA-C-O 118.05 -1.417 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.567 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -119.78 116.52 26.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.612 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.2 pt -110.61 154.39 12.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.542 ' CE2' ' OG1' ' B' ' 14' ' ' THR . 68.0 m-85 -108.94 155.4 20.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.643 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.3 t -133.06 106.65 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.235 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -77.76 128.77 34.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.577 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.549 ' C ' ' H ' ' B' ' 9' ' ' THR . 59.9 p -91.47 172.81 8.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.498 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.33 12.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.558 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.549 ' H ' ' C ' ' B' ' 7' ' ' THR . 49.0 p -145.97 173.85 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.409 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.54 68.92 0.02 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' B' ' 9' ' ' THR . 42.4 tttp -159.71 130.76 5.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.613 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.6 m -127.08 130.24 49.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.457 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 mt -102.5 136.04 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.688 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.542 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 4.1 m -112.68 125.18 54.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.321 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -127.34 148.48 50.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -91.03 106.64 18.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.204 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' B' ' 1' ' ' MET . 4.1 m -127.65 165.16 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.581 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 48.3 mt-10 -124.76 149.9 63.96 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.319 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.65 -19.21 0.43 Allowed 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.86 2.373 . . . . 0.0 112.105 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.33 15.04 25.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.765 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.581 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 8.7 m-20 -87.47 135.06 33.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.482 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.464 ' HG1' ' H ' ' B' ' 25' ' ' ASN . 3.2 p -85.87 137.99 32.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.657 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.455 HD12 HG21 ' B' ' 23' ' ' ILE . 31.8 mm -43.9 -48.32 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.316 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -53.84 -34.38 59.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.324 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.702 HD22 ' NZ ' ' B' ' 29' ' ' LYS . 0.1 OUTLIER -67.11 -43.09 83.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.265 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.95 -49.13 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.267 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -54.55 -40.59 68.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.381 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.406 ' O ' ' OD1' ' B' ' 32' ' ' ASP . . . -60.4 -48.32 82.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.341 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.702 ' NZ ' HD22 ' B' ' 25' ' ' ASN . 54.8 mttp -56.3 -40.06 73.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.363 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 12.1 mt -63.36 -44.78 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -57.18 -36.48 70.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.408 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 1.0 OUTLIER -72.38 -21.97 61.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.508 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -83.54 -58.25 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -97.06 -104.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.79 26.28 0.05 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.438 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 40.5 mt -99.06 97.62 5.39 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.613 0.244 . . . . 0.0 110.479 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -44.75 143.28 4.33 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.646 2.231 . . . . 0.0 112.003 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -45.92 -66.75 0.14 Allowed 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.843 2.362 . . . . 0.0 112.127 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' B' ' 38' ' ' PRO . 45.7 m-20 -37.49 -27.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' B' ' 38' ' ' PRO . 63.4 mm-40 -104.27 56.95 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.617 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -155.01 171.83 19.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.697 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.522 ' HE ' ' CD ' ' B' ' 49' ' ' GLN . 5.7 tpt180 -172.65 99.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.421 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -86.31 121.1 28.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.72 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.6 mt -117.73 148.27 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.538 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' B' ' 48' ' ' LYS . 77.4 t80 -151.25 123.67 8.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.558 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.96 39.28 10.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.94 -12.48 23.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' B' ' 45' ' ' PHE . 38.5 mmtm -84.82 105.91 15.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.741 0.305 . . . . 0.0 110.604 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.522 ' CD ' ' HE ' ' B' ' 42' ' ' ARG . 16.8 tt0 -79.85 127.4 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.437 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 mt -81.82 125.91 31.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.629 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -99.53 153.18 19.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.578 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.16 142.22 58.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.626 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 102.72 -69.81 0.32 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' B' ' 53' ' ' GLY . 8.9 mmt85 -42.38 169.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.641 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.428 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 44.2 p -115.86 166.46 11.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.562 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 mt -65.18 -20.42 66.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.619 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.428 ' OG ' ' OG1' ' B' ' 55' ' ' THR . 5.6 p -73.29 -33.8 65.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.551 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -62.04 -36.14 80.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.594 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -88.74 8.39 29.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 54.99 24.77 6.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.731 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.2 mt -65.24 126.31 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.321 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -91.89 -172.15 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -87.88 160.71 17.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.711 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.05 31.84 21.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m -83.35 167.62 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.338 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.9 m -121.2 85.51 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.56 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.71 169.74 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.457 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 507' ' ' GLY . 32.5 m80 -126.2 107.26 10.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.446 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 15.7 tp -81.21 107.32 13.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.413 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -119.08 146.73 23.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.412 ' CD1' ' N ' ' B' ' 71' ' ' LEU . 10.9 mp -100.57 73.21 1.61 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' B' ' 73' ' ' LEU . 62.7 ttt180 -41.32 135.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.636 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' B' ' 72' ' ' ARG . 15.9 mt 47.23 -174.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.518 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 23.8 ptt-85 -162.27 146.19 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.585 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.17 -112.03 4.54 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.712 0 CA-C-O 117.967 -1.463 . . . . 0.0 110.965 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.513 ' N ' ' O ' ' C' ' 17' ' ' VAL . 17.2 ttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.06 101.34 5.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -109.11 152.12 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -107.67 145.97 32.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.629 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 38.4 t -132.05 102.88 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.372 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -78.36 160.87 27.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.66 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.562 ' C ' ' H ' ' C' ' 9' ' ' THR . 65.2 p -131.27 142.11 50.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.457 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.528 ' CD1' ' SD ' ' A' ' 547' ' ' MET . 0.9 OUTLIER -71.21 36.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.518 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' THR . . . . . 0.562 ' H ' ' C ' ' C' ' 7' ' ' THR . 69.2 p -135.57 -14.86 1.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.3 69.23 0.77 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -174.46 141.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.588 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -123.86 123.01 39.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mt -106.02 133.69 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.759 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -105.78 127.36 53.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.453 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 25.0 mt -127.96 132.1 49.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.747 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -86.98 79.23 8.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.483 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' C' ' 1' ' ' MET . 17.5 m -97.93 -164.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.716 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.442 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.2 mt-10 -139.15 176.94 2.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.252 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -75.21 -26.8 10.25 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.795 2.33 . . . . 0.0 112.079 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.95 9.69 26.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.584 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -81.47 135.14 35.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.516 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 4.7 p -86.74 139.39 30.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.769 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 29.4 mm -43.33 -53.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.343 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -47.03 -40.88 15.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.324 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -62.31 -40.69 97.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.183 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.35 -49.26 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.216 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -53.2 -39.48 63.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.293 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.57 98.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.267 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -61.66 -33.58 74.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.287 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -72.68 -38.23 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.295 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -64.03 -32.53 74.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.65 -38.59 58.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.469 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -69.38 -62.32 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.522 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -86.17 -86.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.29 14.2 0.06 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.484 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 63.3 mt -84.83 120.7 74.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.663 0.268 . . . . 0.0 110.5 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -46.3 136.96 14.7 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.613 2.209 . . . . 0.0 111.877 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.46 -63.27 0.34 Allowed 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.734 2.289 . . . . 0.0 112.012 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -44.24 -32.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.778 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -92.58 54.98 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.718 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 60.4 mt-30 -155.86 93.41 1.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.563 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -87.82 109.44 19.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.439 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 74.3 mt -94.01 131.07 39.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.712 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 6.2 mt -128.94 142.26 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.597 ' O ' ' N ' ' C' ' 47' ' ' GLY . 54.3 t80 -135.16 -177.87 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . 0.577 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -57.62 72.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.521 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 167.48 -64.25 0.2 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . 0.479 ' CG ' ' H ' ' C' ' 49' ' ' GLN . 6.5 ttmm -174.66 -146.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.616 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . 0.479 ' H ' ' CG ' ' C' ' 48' ' ' LYS . 39.8 mt-30 -89.54 145.01 25.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.428 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -93.57 120.61 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -83.91 158.81 21.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.582 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.47 166.89 17.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 85.3 -65.16 4.06 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' C' ' 53' ' ' GLY . 1.1 mmt-85 -42.34 168.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 110.621 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.436 ' OG1' ' OD1' ' C' ' 58' ' ' ASP . 43.4 p -118.33 164.19 15.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.581 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.44 -13.44 60.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.587 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 3.1 t -83.64 -23.75 31.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . 0.436 ' OD1' ' OG1' ' C' ' 55' ' ' THR . 5.1 m-20 -70.33 -39.48 74.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -84.24 4.28 31.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 63.41 24.89 14.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 81.0 mt -71.13 104.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -82.74 -157.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.645 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -85.46 159.59 19.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.622 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 55.64 36.19 26.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.654 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 32.0 m -96.14 138.36 33.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -90.04 125.33 35.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -119.03 112.54 19.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -66.62 147.03 53.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.334 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . 0.485 ' CD2' ' C ' ' C' ' 69' ' ' LEU . 6.2 tt -141.9 120.0 12.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.391 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 10.5 t -114.44 144.88 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.648 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' C' ' 73' ' ' LEU . 7.4 mt -93.35 113.64 25.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.576 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -59.53 80.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.486 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' C' ' 71' ' ' LEU . 0.5 OUTLIER 72.11 89.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.425 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' C' ' 73' ' ' LEU . 12.8 ptm180 35.57 -154.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.723 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.91 -179.43 42.12 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 2.6 t -159.02 7.65 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.604 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt 49.16 86.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.475 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 17.0 pt -63.19 -17.65 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.529 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 29.5 t -51.3 -42.67 61.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.494 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 5.0 m -47.84 -43.99 28.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -65.01 -45.72 84.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.557 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -48.54 -66.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.618 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.8 mm -48.61 -41.04 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.6 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . 0.402 ' C ' ' CD1' ' A' ' 491' ' ' LEU . 0.2 OUTLIER -53.85 -62.89 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.504 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -45.19 -56.9 5.86 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.457 ' O ' ' CE2' ' A' ' 497' ' ' PHE . 9.7 mp -56.99 -24.49 53.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.574 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -62.49 -65.99 2.85 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.96 -12.62 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 0.0 110.665 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -68.16 -51.86 41.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.619 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.581 ' C ' ' H ' ' A' ' 499' ' ' GLY . 16.4 m-85 -51.01 -39.84 56.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.627 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -56.04 -2.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.659 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.581 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -57.31 -71.4 0.75 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 27.7 t -163.37 37.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt 45.34 87.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -94.13 -174.73 3.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.529 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -99.87 -6.23 27.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.582 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -78.23 -18.09 55.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.026 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' A' ' 509' ' ' LEU . 2.4 t -60.85 -75.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.43 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.404 ' CD1' ' N ' ' A' ' 506' ' ' LEU . 10.9 mp -65.02 -21.71 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.561 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -58.44 -34.27 74.56 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 9.2 mp -114.94 -34.58 5.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.73 0.3 . . . . 0.0 111.054 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 505' ' ' VAL . 4.0 mm? -65.4 -61.03 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.201 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.566 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 17.0 tp -43.39 -62.24 1.48 Allowed Pre-proline 0 C--N 1.33 -0.275 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.862 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.613 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.6 Cg_endo -46.37 -64.86 0.22 Allowed 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.459 2.106 . . . . 0.0 111.724 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.402 HG22 HD13 ' A' ' 512' ' ' ILE . 79.6 mt -55.05 -5.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.545 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.533 ' H ' ' C ' ' A' ' 511' ' ' PRO . . . -107.42 -21.81 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.757 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -167.73 37.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.1 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.613 ' N ' ' O ' ' A' ' 511' ' ' PRO . 21.2 t -49.34 -25.75 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.101 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.578 ' OG1' ' O ' ' A' ' 515' ' ' SER . 1.6 m 168.17 -47.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.278 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 517' ' ' ASP . 36.3 t0 -173.01 26.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.637 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' A' ' 519' ' ' PRO . 29.9 mt -52.18 155.5 3.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.398 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . 0.48 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.9 Cg_endo -43.86 178.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.934 2.423 . . . . 0.0 112.132 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . 0.466 HD13 ' H ' ' A' ' 555' ' ' ALA . 20.0 mt -105.62 -15.35 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 520' ' ' ILE . 91.5 mt-10 -45.97 -98.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.705 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 524' ' ' ALA . 19.8 p -62.09 -43.18 99.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.742 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.419 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -38.91 -31.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.613 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 522' ' ' THR . . . -77.35 -51.64 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.574 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 68.5 mtt -59.69 -55.54 33.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -49.57 -50.19 43.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.616 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 523' ' ' ALA . 73.8 m -46.28 -48.31 18.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.08 -58.01 8.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.483 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.76 -41.59 15.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.667 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.21 -62.74 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -51.12 -45.38 61.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -44.49 -44.52 8.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.567 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 78.2 t -72.9 -58.84 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -81.99 32.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 531' ' ' ALA . 13.8 p -64.43 -36.13 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.532 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -84.91 -64.65 1.53 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.28 122.85 25.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 10.2 t -99.62 176.92 5.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.409 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 25.0 m120 -160.68 172.76 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.536 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -91.17 -52.76 2.31 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -45.92 -60.62 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.639 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 71.5 mt -43.03 -51.2 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.616 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 45.3 m -60.73 -62.03 2.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.582 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 81.9 p -41.9 -41.44 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.541 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 13.9 m -71.75 -63.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.263 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -44.7 -29.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.182 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.5 tpt -68.03 -51.57 45.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.285 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.474 ' CG ' ' O ' ' C' ' 72' ' ' ARG . 31.9 m-20 -47.03 -44.08 20.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.216 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.523 ' C ' HD21 ' A' ' 549' ' ' ASN . 0.2 OUTLIER -64.42 -37.88 89.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.281 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -57.28 -63.32 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.459 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.539 ' C ' ' H ' ' A' ' 553' ' ' ARG . 10.7 mp -43.62 -61.57 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.298 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.616 ' O ' ' N ' ' A' ' 554' ' ' THR . 47.9 mm-40 -72.66 37.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.248 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.539 ' H ' ' C ' ' A' ' 551' ' ' LEU . 23.7 ttt180 -32.18 -30.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.704 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.3 OUTLIER 57.67 -82.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.451 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 553' ' ' ARG . . . 37.22 20.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.252 0.548 . . . . 0.0 109.666 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.704 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.3 tp -99.02 -2.82 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.541 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -95.8 -62.4 1.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.436 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.457 ' CD1' ' N ' ' A' ' 558' ' ' LEU . 10.1 mp -95.14 -168.96 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.501 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -164.44 46.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.412 ' HG1' ' N ' ' A' ' 561' ' ' ASP . 46.3 p -97.94 -106.7 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.482 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.412 ' N ' ' HG1' ' A' ' 560' ' ' THR . 9.9 p-10 -169.83 141.2 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 13.5 p-90 -168.76 -11.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.582 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 29.8 t -46.02 -28.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.536 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -62.45 -62.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -52.52 -43.68 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 36.6 tp -55.46 -39.9 70.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -65.8 -52.88 47.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.531 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 46.9 mt -53.67 -17.38 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.598 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.505 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -80.28 -74.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 78.4 mt -63.93 1.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -97.26 -77.09 1.33 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 75.1 mt -55.3 -25.87 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.752 0.31 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.0 tp -55.91 -75.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -59.8 121.15 11.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.515 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 14.1 ttt -146.53 91.02 1.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.533 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -159.41 -147.49 4.9 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -54.81 -70.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.641 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 153.65 -15.41 0.63 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -72.28 -26.14 61.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.545 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -66.83 -68.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.492 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 6.1 p -47.44 -27.25 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.412 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.49 -51.87 65.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.403 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.56 -42.33 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.297 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 39.0 t -63.62 -46.06 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.28 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.5 -39.23 86.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.317 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -55.71 -37.29 68.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.277 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 590' ' ' ALA . 6.9 m -64.55 -57.45 9.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.25 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.7 mt -45.69 -35.14 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.227 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 5.1 m -76.89 -34.79 57.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.233 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -50.55 -30.09 12.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.327 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 10.9 pt -106.86 -168.18 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.435 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -75.66 136.51 40.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.614 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 9.5 p80 -144.39 44.22 0.46 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.626 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.78 -73.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.021 2.481 . . . . 0.0 112.118 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 597' ' ' SER . 6.0 ttm -77.8 -52.14 9.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.688 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 75.7 p -42.83 -18.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.632 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 595' ' ' MET . 22.4 p -45.04 -25.75 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.52 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.06 -77.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 11.4 tt -47.09 -25.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -62.23 -40.73 97.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 84.3 t -76.51 -18.91 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 12.4 tp -73.74 -63.04 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.484 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.63 -43.51 79.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -55.18 -37.86 65.55 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 42.3 t -77.04 -64.86 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.339 . . . . 0.0 110.524 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.26 122.24 23.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -173.75 -71.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.572 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -46.66 123.53 5.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 87.8 m -65.82 160.63 22.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 81.06 87.88 0.61 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 11.8 m -71.86 91.62 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.551 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.793 0 CA-C-O 117.962 -1.465 . . . . 0.0 110.872 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.0 ttp . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -84.94 122.06 28.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.4 pt -123.79 148.5 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -102.99 144.62 31.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.621 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.1 t -124.09 108.13 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.357 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -86.86 114.68 23.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.605 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 26.2 p -67.61 -139.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tp -145.62 32.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.529 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 34.1 p -149.38 14.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.462 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.18 72.25 1.25 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -170.83 134.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.64 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.7 m -125.86 108.83 11.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.478 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.6 148.05 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.617 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 16.0 m -115.93 105.63 12.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.328 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mp -104.88 168.38 9.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -124.39 122.37 37.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.083 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 m -146.56 -163.66 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.916 0.389 . . . . 0.0 110.938 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.515 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 8.2 mt-10 -145.94 145.92 26.72 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.354 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.06 -11.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.913 2.408 . . . . 0.0 112.358 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.484 ' H ' ' C ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -98.5 8.3 45.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.877 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.515 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 1.0 OUTLIER -92.5 144.01 25.78 Favored 'General case' 0 N--CA 1.494 1.766 1 N-CA-C 98.828 -4.508 . . . . 0.0 98.828 -164.909 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.446 ' O ' ' N ' ' B' ' 25' ' ' ASN . 4.9 p -88.93 132.89 34.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.542 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' B' ' 22' ' ' THR . 25.8 mm -36.65 -57.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -45.63 -44.17 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.406 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 22' ' ' THR . 1.7 t30 -59.03 -48.13 82.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.272 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 19.0 t -54.72 -54.38 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.12 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -48.95 -35.25 14.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.09 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.24 81.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.152 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -58.36 -32.89 68.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.115 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.8 mt -69.2 -48.27 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.329 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -55.4 -36.87 66.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.499 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.41 -33.84 71.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.532 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -72.44 -65.38 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.537 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -84.97 -104.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.589 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.58 9.18 0.03 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 66.5 mt -81.19 126.42 76.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.66 0.267 . . . . 0.0 110.428 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.02 143.74 36.81 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.571 2.181 . . . . 0.0 111.987 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -45.94 -65.81 0.17 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.824 2.349 . . . . 0.0 112.009 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 38' ' ' PRO . 10.6 t0 -38.06 -26.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.682 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' B' ' 38' ' ' PRO . 46.8 mm-40 -108.58 61.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -149.88 152.98 35.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -148.95 102.71 3.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.389 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' B' ' 43' ' ' LEU . 8.8 mp -89.28 113.87 25.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.738 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 95.7 mt -115.4 140.38 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.43 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' B' ' 48' ' ' LYS . 69.2 t80 -150.88 135.26 17.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.75 25.25 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.53 -15.15 52.71 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' B' ' 45' ' ' PHE . 29.2 mttm -90.39 124.65 35.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.679 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -83.13 133.74 35.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.48 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.58 123.37 31.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.592 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -90.64 158.85 16.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.28 158.36 33.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 89.95 -66.3 2.81 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' B' ' 53' ' ' GLY . 12.1 mmt85 -43.71 171.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.515 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.7 p -114.13 167.26 10.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.606 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.78 -18.34 64.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.579 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.511 ' C ' ' H ' ' B' ' 59' ' ' TYR . 8.3 t -74.95 -30.08 61.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.668 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.514 ' O ' ' CD1' ' B' ' 59' ' ' TYR . 1.3 m-20 -74.98 29.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' B' ' 58' ' ' ASP . 82.4 m-85 -156.03 0.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.624 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.59 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.6 OUTLIER 63.3 22.27 13.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.716 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.4 mt -67.54 96.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -78.43 -157.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.625 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -86.01 157.62 20.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.707 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 61.97 32.46 17.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.792 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.2 m -88.53 130.21 35.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.433 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 11.6 m -91.07 98.52 11.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.556 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -82.8 120.88 26.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.482 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -76.46 100.27 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.455 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 tp -88.8 106.34 18.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.497 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.8 t -114.95 155.4 16.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.52 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.7 mp -86.48 111.13 20.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.532 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.455 ' CG ' ' N ' ' B' ' 73' ' ' LEU . 36.1 ttp180 -46.62 161.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.654 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.455 ' N ' ' CG ' ' B' ' 72' ' ' ARG . 63.5 tp -44.59 143.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.515 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -81.94 125.08 30.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.59 177.43 39.48 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.728 0 CA-C-O 117.962 -1.465 . . . . 0.0 110.936 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.543 ' N ' ' O ' ' C' ' 17' ' ' VAL . 30.0 ttp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -89.85 122.67 33.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.615 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 11.5 pt -126.08 154.01 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -109.86 149.21 30.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.728 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 43.6 t -129.93 105.67 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.276 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -88.0 125.79 34.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.716 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 31.7 p -91.65 142.81 27.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.451 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -12.89 5.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.492 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 62.7 p -80.69 -55.01 5.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.49 70.81 0.02 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -169.61 132.5 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 110.624 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -108.29 106.0 15.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.446 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mt -92.59 136.03 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.62 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 6.8 m -107.27 127.59 53.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.416 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 mt -130.57 136.28 48.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -89.92 105.78 18.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.41 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' C' ' 1' ' ' MET . 14.0 m -125.82 -164.05 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.789 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.446 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.3 mt-10 -140.25 177.35 2.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.247 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.1 Cg_exo -75.06 -27.05 10.25 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.824 2.35 . . . . 0.0 112.202 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.17 4.98 43.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.663 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.4 134.08 37.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' THR . . . . . 0.519 ' HG1' ' H ' ' C' ' 25' ' ' ASN . 5.6 p -87.08 143.71 27.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.693 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 24.4 mm -46.61 -46.43 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.35 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -51.56 -43.72 62.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.277 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . 0.519 ' H ' ' HG1' ' C' ' 22' ' ' THR . 22.5 t30 -60.45 -45.44 93.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.287 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 44.8 t -56.9 -50.73 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.237 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -54.52 -30.42 53.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.286 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.57 -50.04 60.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.254 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -57.16 -42.19 80.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.297 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.6 mt -63.09 -41.21 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.43 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -58.92 -38.6 79.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.375 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -68.75 -29.88 68.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.471 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -75.49 -60.98 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.511 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -89.03 -84.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.552 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.2 24.38 0.05 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.449 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 48.7 mt -92.31 108.64 32.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.692 0.282 . . . . 0.0 110.556 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.449 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.69 132.85 13.45 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.708 2.272 . . . . 0.0 111.92 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.574 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.46 -38.76 21.58 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.753 2.302 . . . . 0.0 111.925 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.78 14.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.574 ' H ' ' C ' ' C' ' 38' ' ' PRO . 30.6 mt-30 -146.76 56.96 1.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.49 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -147.74 151.68 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -143.11 108.74 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 mt -103.08 128.06 50.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mt -130.7 149.33 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.564 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.552 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 56.3 t80 -155.74 -178.58 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.508 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . 0.552 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -41.11 -21.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.41 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -105.67 64.9 0.29 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . 0.432 ' HB3' ' H ' ' C' ' 49' ' ' GLN . 24.4 mmtp 42.07 -147.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 110.658 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . 0.432 ' H ' ' HB3' ' C' ' 48' ' ' LYS . 25.6 tt0 -87.91 140.87 29.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.447 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.0 mt -89.26 121.73 31.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.661 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -73.65 159.0 33.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.677 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.68 97.64 9.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.39 -55.13 0.44 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -48.39 173.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.777 0.323 . . . . 0.0 110.502 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 11.9 p -113.57 155.83 24.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 81.9 mt -58.6 -14.49 8.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.535 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 13.2 t -78.4 -37.62 43.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.582 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.88 -37.57 74.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -91.2 19.82 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.612 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' C' ' 60' ' ' ASN . 19.1 p30 42.14 33.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.842 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 60.1 mt -72.54 101.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.458 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -80.82 -167.96 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.735 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -74.69 159.83 31.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 58.94 32.38 22.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.791 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 39.7 m -90.67 126.88 36.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.469 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 6.3 m -90.21 107.57 19.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.609 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 mt -91.63 128.14 37.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.484 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -79.91 107.33 12.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.5 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . 0.419 HD11 ' H ' ' C' ' 70' ' ' VAL . 61.3 tp -97.62 139.32 33.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.646 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.419 ' H ' HD11 ' C' ' 69' ' ' LEU . 17.4 t -142.79 136.48 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.476 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mt -86.24 149.22 25.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.66 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . 0.474 ' O ' ' CG ' ' A' ' 548' ' ' ASP . 40.2 ttm180 -63.87 -56.78 12.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' C' ' 74' ' ' ARG . 0.2 OUTLIER -175.84 90.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.499 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . 0.521 ' HE ' ' CD2' ' A' ' 510' ' ' LEU . 53.8 mtt-85 54.65 107.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.523 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.0 142.44 10.84 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 33.9 t0 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 44.8 p -75.5 154.3 37.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.623 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -141.63 -71.15 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.512 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 13.0 pt -50.89 -28.24 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 7.8 t -62.44 -51.82 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.571 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 6.6 t -47.5 -38.67 14.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -67.13 -40.56 86.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.527 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -54.32 -51.08 65.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 15.9 mm -63.19 -28.89 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.512 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.75 -70.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.379 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -52.11 -46.97 55.91 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 15.3 tp -66.67 -24.35 66.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 110.36 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -60.73 -43.84 98.63 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 66.4 mt -83.86 -13.52 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.721 0.296 . . . . 0.0 110.434 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -70.01 -42.06 73.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.664 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.483 ' C ' ' H ' ' A' ' 499' ' ' GLY . 48.3 m-85 -46.86 -59.92 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -53.9 -9.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.597 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -72.16 -15.79 76.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 46.5 t -146.95 -55.19 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.8 0.334 . . . . 0.0 110.597 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 55.6 tttm 61.08 86.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.523 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.558 ' N ' ' OD1' ' A' ' 502' ' ' ASN . 4.4 p-10 -134.48 -169.88 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -82.5 9.61 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.698 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -89.81 -49.72 6.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.04 0.448 . . . . 0.0 110.103 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 50.2 t -48.84 -49.42 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.257 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.1 tp -72.56 -36.57 68.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.502 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -60.1 -9.55 11.61 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.5 mp -120.53 -40.14 2.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 110.714 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 510' ' ' LEU . 7.2 mp -67.93 -66.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.499 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.6 tp -37.37 -62.21 0.62 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.87 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.499 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.12 -55.15 3.9 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.573 2.182 . . . . 0.0 111.721 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 73.3 mt -52.23 -14.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.46 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 511' ' ' PRO . . . -132.15 32.68 3.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.519 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -162.46 -33.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.725 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.57 ' C ' HH12 ' B' ' 42' ' ' ARG . 3.8 p -30.03 -79.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.666 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.555 ' OG1' ' NH1' ' B' ' 42' ' ' ARG . 1.9 m -171.06 -71.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.764 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -127.32 73.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.789 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.2 mm? -105.0 151.88 39.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.203 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.28 107.3 0.1 OUTLIER 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.773 2.315 . . . . 0.0 111.922 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 26.2 pt -69.71 -6.57 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.692 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -77.85 -46.64 20.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 10.1 m -87.21 -32.83 19.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.625 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -59.4 -38.47 80.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.587 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.75 -53.03 34.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 21.1 mmt -64.16 -42.21 96.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -56.44 -59.67 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.583 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 14.8 m -44.59 -52.45 8.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.495 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . 0.42 ' C ' ' CD1' ' A' ' 528' ' ' LEU . 0.2 OUTLIER -54.95 -62.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.73 -36.93 12.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.512 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.8 tt -56.98 -56.69 18.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.525 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.8 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -48.88 -42.94 38.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.609 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.502 ' C ' ' H ' ' A' ' 535' ' ' VAL . 83.5 t -77.66 -56.48 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.544 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -75.76 24.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.502 ' H ' ' C ' ' A' ' 533' ' ' VAL . 12.1 p -55.97 -39.45 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -76.44 -80.72 0.6 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.72 127.23 32.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.478 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.414 ' C ' ' ND2' ' A' ' 539' ' ' ASN . 4.3 p -126.63 -177.99 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.414 ' ND2' ' C ' ' A' ' 538' ' ' CYS . 7.6 m-80 -151.58 164.96 35.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.443 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -76.02 -38.43 35.43 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -46.66 -56.07 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.564 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.2 mt -44.39 -46.33 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.595 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 544' ' ' THR . 41.5 m -67.75 -65.52 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.477 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 543' ' ' THR . 67.3 p -39.01 -44.79 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.549 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 23.0 m -66.92 -53.53 31.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.098 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.07 -31.51 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.126 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.2 mmt -69.51 -44.16 71.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.383 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.454 ' OD1' ' NH2' ' C' ' 42' ' ' ARG . 45.8 m-20 -51.28 -36.09 40.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.222 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -72.63 -45.99 56.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.392 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -47.74 -63.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.427 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 551' ' ' LEU . 10.8 mp -51.55 -40.42 59.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.436 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.567 ' O ' ' O ' ' A' ' 553' ' ' ARG . 0.3 OUTLIER -78.39 -95.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.531 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.567 ' O ' ' O ' ' A' ' 552' ' ' GLU . 18.0 ttm180 53.55 120.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.406 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.616 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER -85.52 -38.85 18.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.651 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 44.7 16.02 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.616 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.7 OUTLIER -77.75 -21.78 13.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.998 -179.165 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -74.96 -45.17 44.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.709 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 559' ' ' LYS . 22.0 tp -159.4 153.48 23.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 558' ' ' LEU . 79.7 mttt -57.58 -150.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.566 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 70.9 p -54.35 110.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.535 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 10.3 t0 -169.99 52.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -179.7 -14.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.56 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.2 p -72.11 -10.24 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.624 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -68.8 -71.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.682 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -70.27 -43.47 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.726 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 51.0 tp -50.83 -47.2 60.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.594 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -62.44 -63.92 1.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.668 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 23.8 mt -43.94 -35.86 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.578 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -58.67 -71.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 56.7 tp -42.5 -23.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -77.58 -76.78 0.86 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 16.0 pt -47.46 -19.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.598 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 571' ' ' GLY . 30.0 tp -56.38 -48.0 77.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.445 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -92.06 129.94 37.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.3 ttt -145.68 98.65 3.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 165.77 135.75 1.89 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -78.49 106.1 10.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -169.16 176.75 43.15 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -79.29 -6.77 57.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 110.661 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -48.06 -59.73 3.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.535 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 98.0 t -56.72 -51.36 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.539 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -44.49 -32.85 1.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.577 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.89 -56.58 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 90.8 t -46.21 -49.87 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 11.0 mp -54.22 -46.73 72.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.468 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -47.99 -33.76 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.388 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 17.9 m -70.21 -50.41 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.412 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 62.7 mt -48.88 -38.52 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.492 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 3.6 m -73.84 -35.3 64.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.5 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -49.34 -43.84 44.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.435 ' O ' ' O ' ' A' ' 592' ' ' GLU . 7.1 pt -103.45 154.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.497 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 6.5 mp0 -59.36 -124.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.479 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 1.8 m-70 60.83 76.16 0.43 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.76 7.17 2.88 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.022 2.482 . . . . 0.0 111.862 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 20.6 mmt -79.29 -18.69 52.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.504 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 4.1 p -85.49 -3.41 58.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.536 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 8.0 t -45.99 -45.77 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.584 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.32 -40.64 78.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.577 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . 0.528 ' CD1' ' N ' ' A' ' 599' ' ' ILE . 1.7 mp -71.39 -34.4 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -69.44 -49.61 53.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.601 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 82.7 t -53.74 -67.97 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.556 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 48.7 mt -46.96 -73.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.484 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 41.4 t -50.1 -18.24 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -76.93 -63.69 2.25 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 10.5 m -47.64 -68.83 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 110.546 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 90.4 m -80.55 118.29 22.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -156.21 -100.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -46.95 -60.64 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.51 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 14.2 t -68.17 -177.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.561 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 160.57 -167.11 35.64 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 71.3 p -45.6 138.15 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.527 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.816 0 CA-C-O 118.079 -1.401 . . . . 0.0 110.981 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.53 ' N ' ' O ' ' B' ' 17' ' ' VAL . 26.5 ttp . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -84.85 124.24 31.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.617 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -125.28 150.52 30.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -106.1 138.33 42.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.673 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -116.5 104.14 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.089 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -81.4 130.91 35.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.415 ' C ' ' H ' ' B' ' 9' ' ' THR . 59.4 p -93.88 154.74 17.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.255 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 tp -71.02 48.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.504 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.415 ' H ' ' C ' ' B' ' 7' ' ' THR . 73.2 p -150.02 -55.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.548 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.74 -13.33 0.14 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -77.25 152.89 34.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -137.28 107.05 6.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.424 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -90.15 135.92 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -105.37 129.03 53.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.238 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -128.34 133.54 48.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.824 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -89.4 107.67 19.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.185 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.5 m -131.5 -163.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.986 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.427 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.3 mt-10 -141.82 176.45 2.4 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.129 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.2 Cg_exo -74.5 -25.41 12.99 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.715 2.276 . . . . 0.0 112.24 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.67 5.15 47.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.676 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.53 139.16 38.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.566 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.9 p -87.06 142.43 27.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.773 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 mm -49.15 -49.37 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.268 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -49.28 -41.31 37.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.265 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -62.21 -44.75 95.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.164 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.75 -51.24 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.146 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -53.05 -34.07 54.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.095 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.62 93.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.19 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -63.37 -34.99 78.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.343 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.1 mt -69.41 -40.4 79.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.393 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -62.95 -35.46 80.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.407 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -74.54 -21.89 59.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -83.55 -60.36 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -92.5 -92.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.566 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.3 20.76 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.563 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 57.9 mt -93.51 104.04 11.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.689 0.28 . . . . 0.0 110.522 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.72 142.04 7.81 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.609 2.206 . . . . 0.0 111.832 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.05 -64.83 0.22 Allowed 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.792 2.328 . . . . 0.0 112.156 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.474 ' CB ' HE22 ' B' ' 40' ' ' GLN . 1.4 m-20 -38.57 -36.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.488 ' CD ' ' N ' ' B' ' 40' ' ' GLN . 2.7 mp0 -93.57 59.06 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.727 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.563 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 60.8 mt-30 -157.52 153.22 26.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.644 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.57 HH12 ' C ' ' A' ' 515' ' ' SER . 31.0 ttp180 -143.9 104.1 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.307 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.3 mt -85.14 111.26 19.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.813 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mm -111.68 146.64 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.285 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -151.78 115.07 4.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.426 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.99 22.41 13.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.428 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.31 25.54 43.31 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -124.81 131.8 53.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.634 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -82.72 120.1 25.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.487 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -83.05 88.41 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.369 . . . . 0.0 110.537 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -52.45 158.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.607 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -71.73 173.32 8.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.524 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 77.02 -58.79 3.56 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' B' ' 53' ' ' GLY . 17.6 mmt180 -45.44 173.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 110.569 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 64.5 p -120.14 164.09 16.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.675 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.83 -21.77 66.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.433 ' C ' ' H ' ' B' ' 59' ' ' TYR . 15.6 t -75.91 -28.26 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.727 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -73.21 8.17 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.433 ' H ' ' C ' ' B' ' 57' ' ' SER . 65.5 m-85 -136.84 22.2 3.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' B' ' 59' ' ' TYR . 5.7 p-10 42.09 37.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.737 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.6 mt -84.32 99.36 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.352 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -80.66 -161.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -81.21 161.25 24.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.776 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 55.65 37.9 29.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.895 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 73.8 m -93.37 138.01 32.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.433 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -94.98 102.6 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.671 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -88.88 119.14 29.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -78.15 102.57 7.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.645 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 14.9 tp -87.21 110.14 19.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.525 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.406 ' HB ' ' HE ' ' B' ' 42' ' ' ARG . 2.0 t -111.26 156.86 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.476 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 74.1 mt -88.72 124.98 34.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.473 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -61.14 -79.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.697 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 28.2 mt -79.78 -167.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.612 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -93.04 -171.97 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.77 121.64 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.75 0 CA-C-O 117.969 -1.462 . . . . 0.0 110.917 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.517 ' N ' ' O ' ' C' ' 17' ' ' VAL . 24.8 ttp . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -83.89 111.81 19.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.683 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 pt -115.21 152.49 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.624 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -104.74 150.53 24.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.518 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' C' ' 13' ' ' ILE . 41.1 t -128.74 100.31 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.15 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -84.1 114.08 21.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.631 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.409 ' HG1' ' H ' ' C' ' 10' ' ' GLY . 10.6 p -76.34 144.39 40.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 36.4 tp -64.87 -15.29 61.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.522 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 19.9 p -80.62 -61.12 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . 0.409 ' H ' ' HG1' ' C' ' 7' ' ' THR . . . 160.09 78.23 0.03 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -173.55 162.95 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 30.1 m -139.01 96.51 3.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.448 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' C' ' 5' ' ' VAL . 0.0 OUTLIER -83.78 135.49 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 -179.886 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 8.6 m -106.54 98.6 8.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.151 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' C' ' 15' ' ' LEU . 10.4 mp -101.69 133.62 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.042 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -90.77 113.93 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.053 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.6 m -136.97 -162.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.109 0.48 . . . . 0.0 110.971 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.535 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 22.4 mt-10 -146.47 148.54 34.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.085 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.16 -49.06 8.99 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.858 2.372 . . . . 0.0 112.462 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.433 ' O ' ' C ' ' C' ' 21' ' ' ASP . 0.7 OUTLIER -57.8 -40.55 80.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.171 -179.641 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 25.3 m-20 -36.8 145.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.892 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 41.5 p -93.71 147.83 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 37.2 mm -50.92 -42.63 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.502 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -54.37 -46.99 73.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.433 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -60.09 -37.46 80.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.407 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.7 t -63.21 -52.14 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.325 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . 0.407 ' HZ1' ' HG ' ' C' ' 43' ' ' LEU . 30.2 mttp -51.59 -42.12 61.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.089 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.34 -46.82 87.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.236 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -55.5 -46.46 76.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.263 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 15.5 mt -58.03 -46.42 87.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.367 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -55.92 -30.54 61.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.358 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -71.07 -42.69 69.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.472 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -67.5 -54.03 23.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.37 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -97.06 -106.13 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.505 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.55 13.85 0.02 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.53 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 42.0 mt -76.41 114.41 37.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.659 0.266 . . . . 0.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.2 134.86 15.3 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.571 2.181 . . . . 0.0 111.883 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.543 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.25 -42.68 21.86 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.76 2.307 . . . . 0.0 112.017 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -73.24 26.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.701 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.543 ' H ' ' C ' ' C' ' 38' ' ' PRO . 62.5 mt-30 -154.18 52.42 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.527 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 65.3 mt-30 -150.09 95.72 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.833 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . 0.454 ' NH2' ' OD1' ' A' ' 548' ' ' ASP . 56.1 mtm180 -89.56 102.92 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.234 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.407 ' HG ' ' HZ1' ' C' ' 27' ' ' LYS . 3.5 mt -89.88 129.45 36.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.988 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . 0.447 HD13 HG23 ' C' ' 44' ' ' ILE . 87.8 mt -127.49 132.72 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.133 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 71.3 t80 -139.85 167.55 21.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.788 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . 0.603 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -40.55 89.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.57 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 149.11 -62.02 0.42 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . 0.608 ' CD ' ' H ' ' C' ' 49' ' ' GLN . 6.1 tmtp? 178.28 -151.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.616 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . 0.608 ' H ' ' CD ' ' C' ' 48' ' ' LYS . 7.2 tt0 -93.72 144.49 25.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.476 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -89.09 131.28 35.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.661 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' C' ' 51' ' ' GLU . 5.5 mp0 -101.87 158.27 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.542 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -64.69 164.28 12.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.611 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 80.09 -64.15 3.99 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' C' ' 53' ' ' GLY . 16.3 mmt180 -42.81 168.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.573 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 82.6 p -115.64 161.85 18.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.37 -7.62 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.525 ' HG ' ' N ' ' C' ' 58' ' ' ASP . 89.7 p -85.83 -41.34 15.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.673 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . 0.525 ' N ' ' HG ' ' C' ' 57' ' ' SER . 2.0 m-20 -55.48 -10.86 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.768 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.406 ' H ' ' C ' ' C' ' 57' ' ' SER . 84.7 m-85 -112.67 -3.67 14.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.614 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 m120 64.94 21.33 12.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.771 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.16 109.9 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.395 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -86.01 -160.01 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -84.32 158.23 21.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 56.73 34.58 24.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 26.1 m -90.89 135.77 33.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.512 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -89.0 110.24 20.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.636 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mp -95.17 111.51 23.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.472 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -72.35 103.37 3.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.44 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 10.8 tp -91.81 116.94 29.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.575 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 67.9 t -108.64 131.33 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.441 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 mt -84.79 151.56 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.686 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -90.42 75.07 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.401 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 30.4 tp 55.08 92.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.425 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 55.09 176.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.523 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.09 -162.24 29.65 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 57.9 p -151.55 -164.56 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.568 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -51.01 -28.77 10.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.515 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 11.4 pt -55.3 -26.87 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 40.1 p -54.16 -46.99 72.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 23.1 t -72.27 -56.37 5.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -46.95 -34.54 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.562 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 491' ' ' LEU . . . -72.38 -71.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.42 HG21 HD11 ' A' ' 490' ' ' ILE . 95.1 mt -43.93 -21.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.546 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 489' ' ' ALA . 62.0 tp -72.56 -59.94 2.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.517 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -59.14 -36.46 88.71 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.57 -38.03 88.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 110.57 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -63.95 -47.3 87.09 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 65.7 mt -73.48 -8.85 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 110.558 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -79.28 -77.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -86.85 25.57 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.683 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -40.97 -74.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.586 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -112.82 86.23 0.42 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 72.5 m -164.82 -41.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.692 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp 59.39 83.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -86.64 -100.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.655 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -172.23 -32.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -71.13 -15.81 62.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.024 0.44 . . . . 0.0 110.162 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.32 -68.01 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.241 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.412 ' O ' ' HD2' ' A' ' 511' ' ' PRO . 6.1 mt -70.69 -20.11 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.421 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.66 -20.1 65.71 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 6.7 mp -118.82 -39.54 2.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 0.0 110.761 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.83 -61.75 1.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.119 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 0.9 OUTLIER -42.6 -60.31 2.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.754 -179.614 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.64 -53.35 6.22 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.497 2.131 . . . . 0.0 111.669 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.403 HG23 HD12 ' A' ' 512' ' ' ILE . 75.9 mt -54.6 -15.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.317 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -138.06 27.08 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -145.79 -36.06 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.726 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.453 ' O ' ' OG1' ' A' ' 516' ' ' THR . 16.9 t -36.97 -62.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.605 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 515' ' ' SER . 94.9 m -168.72 -59.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.455 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' A' ' 518' ' ' LEU . 15.3 t70 -131.18 -75.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.598 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.2 mm? 56.1 149.53 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.514 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.06 118.79 2.13 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.772 2.314 . . . . 0.0 111.937 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 20.3 pt -72.77 -13.42 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.662 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -77.58 -25.6 50.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 7.4 m -98.75 -22.54 15.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.522 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -73.2 -53.74 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.523 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -44.11 -53.89 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.601 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 40.2 mtt -60.03 -53.64 55.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.59 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -47.13 -52.26 15.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.578 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.5 t -47.26 -54.62 10.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.586 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 5.9 tp -46.84 -43.25 18.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.54 -43.51 72.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.593 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.56 -29.65 70.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.05 -68.35 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.59 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -45.38 -33.76 2.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.6 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.55 ' C ' ' H ' ' A' ' 535' ' ' VAL . 93.8 t -79.59 -73.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -72.3 30.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.666 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.55 ' H ' ' C ' ' A' ' 533' ' ' VAL . 10.5 p -49.86 -43.69 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.497 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -91.51 -67.09 1.15 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 28.8 m -53.38 117.58 3.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 47.3 t -109.62 145.25 36.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -147.95 136.92 22.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -61.85 -44.88 97.26 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -45.28 -49.26 12.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.608 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.3 mt -55.97 -43.72 75.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 8.8 m -64.83 -60.0 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.612 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 74.7 p -45.17 -53.61 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.51 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 31.2 m -55.6 -47.28 76.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.979 0.418 . . . . 0.0 110.131 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -28.62 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.293 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.3 tpt -74.74 -41.53 59.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.418 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -53.85 -52.0 61.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.359 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -61.51 -30.86 70.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.248 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . 0.627 ' CE1' ' NH2' ' A' ' 553' ' ' ARG . 19.3 t80 -69.44 -25.76 64.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.364 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 37.1 tp -90.7 -44.18 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.527 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.63 -4.96 7.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.627 ' NH2' ' CE1' ' A' ' 550' ' ' PHE . 29.8 ttm180 -41.54 108.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.44 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -86.08 -26.89 25.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.589 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.492 ' O ' ' CD2' ' A' ' 558' ' ' LEU . . . 54.02 13.69 0.6 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 554' ' ' THR . 0.7 OUTLIER -71.51 -12.48 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.78 -179.695 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -84.22 -62.62 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 555' ' ' ALA . 30.0 mt 62.09 54.71 2.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.551 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.433 ' O ' ' OG1' ' A' ' 560' ' ' THR . 58.5 mttp -149.0 153.94 38.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.569 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 72.0 p 50.3 176.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -85.25 165.94 16.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -174.92 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.602 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.46 -12.1 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -75.97 -77.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.578 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -52.07 -31.28 29.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.547 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.93 -48.85 78.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.93 -62.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.581 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 568' ' ' LEU . 10.3 mp -42.58 -47.69 5.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.475 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.509 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -49.49 -64.16 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.53 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 60.8 mt -57.0 -5.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -90.33 -71.58 1.24 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 11.9 pt -64.98 -4.81 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 tp -61.18 -58.75 7.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.515 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -80.55 125.3 29.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.566 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 575' ' ' MET . 1.6 tmt? -156.19 -21.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -83.95 -70.22 1.35 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.521 ' CD ' ' H ' ' A' ' 577' ' ' GLN . 7.2 mp0 -68.29 -157.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.317 . . . . 0.0 110.593 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -151.62 -71.19 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -55.83 -27.66 52.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.602 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -45.43 -42.77 10.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.9 -49.7 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.591 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -48.19 -38.09 17.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.72 -36.13 75.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.45 -52.87 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 47.0 mt -55.69 -35.16 65.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.89 -38.59 91.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.524 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 7.1 m -68.73 -54.87 13.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 99.5 mt -44.26 -45.69 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.522 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.1 m -60.99 -38.32 85.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.496 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -55.81 -28.89 58.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.402 HG22 HD12 ' A' ' 591' ' ' ILE . 6.8 mm -86.61 155.37 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.591 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -73.18 -146.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.419 ' C ' ' H ' ' A' ' 595' ' ' MET . 6.7 m170 44.78 75.61 0.63 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.4 18.32 0.59 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.941 2.428 . . . . 0.0 111.962 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.419 ' H ' ' C ' ' A' ' 593' ' ' HIS . 20.4 ttt -77.85 -20.82 52.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 599' ' ' ILE . 5.8 t -71.05 -2.93 17.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 65.3 p -40.53 -29.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.603 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.16 98.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 596' ' ' THR . 55.4 mt -77.31 -27.25 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.554 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.05 -40.4 96.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.71 -33.79 27.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.41 ' C ' ' CD1' ' A' ' 602' ' ' LEU . 0.2 OUTLIER -62.61 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 13.1 t -65.12 -18.88 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.562 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -67.67 -72.32 0.81 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 51.0 p -48.48 -53.45 17.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.337 . . . . 0.0 110.588 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 8.1 m -80.7 123.68 28.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.63 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -175.83 -78.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -158.75 5.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.499 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 7.5 p -61.59 134.75 57.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 612' ' ' GLY . . . 166.41 -41.23 0.26 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 40.9 p -76.63 28.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.516 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 610' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.764 0 CA-C-O 118.05 -1.416 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.559 ' N ' ' O ' ' B' ' 17' ' ' VAL . 23.6 ttp . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -75.93 105.73 7.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.581 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.2 pt -109.74 150.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -105.2 143.67 33.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.666 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -127.38 103.21 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.364 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -75.19 139.55 42.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.702 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -106.57 152.66 23.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.375 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.51 64.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -165.82 -51.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.514 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.94 -6.21 0.43 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -88.44 156.64 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.614 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.8 m -136.98 118.22 14.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.515 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 mt -96.6 128.41 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -104.2 117.21 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.351 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.579 ' CD2' ' NZ ' ' B' ' 33' ' ' LYS . 15.0 mt -118.41 136.03 54.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -88.08 102.35 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.303 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.559 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.7 m -121.84 -165.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.71 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.559 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 23.8 mt-10 -147.61 150.24 36.19 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.335 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.41 -28.72 4.16 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.893 2.396 . . . . 0.0 112.347 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.62 15.41 6.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.904 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.559 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 1.4 m-20 -92.91 134.75 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.486 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.562 ' HG1' ' H ' ' B' ' 25' ' ' ASN . 25.8 p -82.67 147.27 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.765 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 24.2 mm -54.26 -41.34 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.158 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.454 ' CG ' ' OG1' ' B' ' 22' ' ' THR . 9.6 pt-20 -55.65 -41.4 73.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.17 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.657 HD22 ' NZ ' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -62.8 -47.02 85.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.237 179.713 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.78 -53.52 36.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.295 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -50.76 -36.24 35.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.083 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.33 85.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.123 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.657 ' NZ ' HD22 ' B' ' 25' ' ' ASN . 51.6 mttp -57.59 -43.19 84.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.202 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 13.8 mt -59.52 -45.8 93.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.294 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -56.8 -35.66 69.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.308 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 4.7 m-20 -65.06 -44.28 89.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.44 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.579 ' NZ ' ' CD2' ' B' ' 15' ' ' LEU . 1.2 mptm? -67.16 -63.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.41 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -86.16 -117.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.565 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -171.27 18.79 0.06 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.46 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 54.6 mt -88.29 108.63 23.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.642 0.258 . . . . 0.0 110.566 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.86 140.74 9.53 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.705 2.27 . . . . 0.0 111.934 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.42 -43.86 21.41 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.749 2.299 . . . . 0.0 112.084 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.433 ' CB ' HE22 ' B' ' 40' ' ' GLN . 2.1 m-20 -60.64 -32.5 71.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' B' ' 40' ' ' GLN . 1.9 mp0 -92.31 52.92 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -144.81 161.6 38.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.631 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.495 ' NE ' ' OE1' ' B' ' 49' ' ' GLN . 70.1 ttt180 -157.24 92.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.529 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.89 117.54 17.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.611 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -111.22 146.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -160.72 129.95 4.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.63 38.92 29.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.51 38.62 96.1 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -145.82 129.25 16.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.592 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.495 ' OE1' ' NE ' ' B' ' 42' ' ' ARG . 35.9 tt0 -80.77 129.87 34.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.8 113.1 21.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.558 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -72.44 158.98 34.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.562 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.0 163.01 28.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.462 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 87.1 -64.21 3.9 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' B' ' 53' ' ' GLY . 20.1 mmt180 -42.52 168.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 110.526 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.9 p -113.21 168.37 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.8 mt -68.92 -17.37 63.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.522 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.405 ' C ' ' H ' ' B' ' 59' ' ' TYR . 92.8 p -77.64 -24.57 49.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.541 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' B' ' 58' ' ' ASP . 2.2 m-20 -78.18 15.41 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.62 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.405 ' H ' ' C ' ' B' ' 57' ' ' SER . 77.5 m-85 -140.92 3.08 1.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.498 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' B' ' 60' ' ' ASN . 0.3 OUTLIER 65.65 15.97 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.776 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.46 98.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.444 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -79.68 -157.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.703 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -86.29 162.7 18.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.714 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 58.57 18.01 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.734 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -66.46 166.59 12.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.364 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 39.1 m -128.38 98.31 5.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.559 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.09 122.54 29.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -82.81 97.58 8.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 5.1 tp -73.91 127.58 33.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.73 160.95 42.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.634 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.436 ' CD2' ' N ' ' B' ' 71' ' ' LEU . 4.2 mm? -103.86 125.15 50.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -74.73 161.69 29.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.614 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 44.8 tp -45.7 116.49 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.553 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -64.98 135.8 56.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.31 72.21 1.14 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 118.029 -1.428 . . . . 0.0 110.959 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.569 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -97.23 112.39 24.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.603 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.6 pt -108.21 157.56 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.792 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -114.66 137.31 52.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.585 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 83.9 t -113.22 107.89 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.415 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -92.32 125.83 37.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.67 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -89.37 142.01 28.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.412 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.91 -48.83 51.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.484 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 57.8 p -51.2 -69.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.42 80.38 0.03 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -172.62 122.2 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 110.565 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 10.2 m -102.65 137.08 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.59 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -124.97 128.48 73.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.616 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 6.5 m -92.75 116.39 28.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.315 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -126.5 134.23 50.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.769 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -84.99 120.55 26.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.4 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.569 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.2 m -138.17 -176.43 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.704 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.49 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.9 mm-40 -132.79 176.75 2.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.244 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -75.06 -26.18 11.06 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.783 2.322 . . . . 0.0 111.928 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -89.62 1.4 56.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.49 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 9.1 m-20 -70.79 133.03 46.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.514 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.4 p -87.05 143.24 27.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.666 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -46.64 -53.91 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.375 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -48.58 -35.42 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.326 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -66.1 -42.26 89.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.261 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.44 -51.4 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.332 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -52.02 -38.87 58.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.236 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.56 94.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.3 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.44 -38.38 77.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.402 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 7.5 mt -68.92 -36.48 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.388 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.437 ' OE1' ' O ' ' C' ' 36' ' ' ILE . 44.6 tp60 -63.45 -32.82 74.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.463 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.76 -36.29 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.568 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -72.57 -66.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -82.88 -99.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.25 19.04 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.565 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 73.1 mt -88.78 118.08 68.95 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.651 0.262 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.9 135.14 14.09 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.606 2.204 . . . . 0.0 111.957 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.18 -50.63 9.74 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.788 2.325 . . . . 0.0 111.942 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -53.64 -37.63 63.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -88.81 54.25 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.668 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.565 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 62.7 mt-30 -153.94 100.24 2.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.673 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -98.2 101.74 13.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.427 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.3 130.25 34.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.59 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mt -133.21 145.16 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.553 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 55.9 t80 -129.53 176.14 8.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . 0.553 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -39.94 -24.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -86.24 -91.03 0.92 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -146.98 -146.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.341 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -90.31 141.41 28.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.497 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mt -90.1 111.78 23.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.543 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -73.1 157.75 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -74.1 115.62 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.477 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 131.02 -61.69 0.66 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.7 mmt180 -44.36 171.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.496 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.491 ' HG1' ' H ' ' C' ' 57' ' ' SER . 3.1 p -112.99 166.39 11.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.584 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.71 -18.71 65.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.59 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.491 ' H ' ' HG1' ' C' ' 55' ' ' THR . 29.1 p -83.81 -6.39 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.612 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -88.81 -5.93 57.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -123.51 15.77 9.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.52 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 27.7 m120 58.61 15.61 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.88 91.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.434 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -73.41 -161.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.742 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -82.59 159.58 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.749 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 57.69 32.68 22.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 30.3 m -88.01 133.28 33.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 20.1 m -94.39 101.75 13.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -83.29 171.24 13.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.607 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -125.77 108.67 11.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.364 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' C' ' 69' ' ' LEU . 6.3 tt -92.85 124.28 36.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.542 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.414 ' N ' HD22 ' C' ' 69' ' ' LEU . 67.6 t -122.69 104.45 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.469 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.89 155.24 29.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -68.33 -24.57 64.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 177.65 177.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -47.49 120.08 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.53 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.35 162.46 0.97 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 31.1 m -58.34 -75.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.562 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm 57.2 163.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 19.9 tt -52.27 -20.37 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.583 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 9.2 t -45.97 -39.92 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.647 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 5.4 m -60.68 -42.15 96.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.587 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -59.14 -28.13 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.595 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -74.5 -66.12 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.514 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 11.7 mm -56.55 -33.4 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 21.1 tp -61.6 -78.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -49.61 -47.19 37.65 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 15.5 tp -61.33 -29.57 69.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.503 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -61.07 -41.67 99.53 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 71.4 mt -84.78 -11.48 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.749 0.309 . . . . 0.0 110.568 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -70.87 -43.72 67.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.515 ' C ' ' H ' ' A' ' 499' ' ' GLY . 55.4 m-85 -48.48 -48.81 37.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -50.4 -10.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.582 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -82.02 -28.61 40.85 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 80.2 p -174.55 99.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 110.568 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -72.61 53.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.522 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 6.4 t-20 -66.68 -172.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . 0.522 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 12.8 m-20 -84.12 14.18 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.552 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -86.42 -35.97 19.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.287 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.92 -69.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.398 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 508' ' ' LEU . 9.4 mt -67.09 -42.32 84.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.59 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -41.09 -25.93 0.15 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 506' ' ' LEU . 43.1 mt -114.32 -40.2 3.7 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.031 -0.267 . . . . 0.0 110.995 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 510' ' ' LEU . 5.6 mp -63.28 -57.07 11.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.754 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.64 ' O ' ' N ' ' A' ' 514' ' ' ALA . 1.2 mm? -39.97 -67.32 0.29 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.579 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.93 -57.74 2.03 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.739 2.292 . . . . 0.0 111.951 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.3 mt -57.18 -11.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.741 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -147.27 34.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.704 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.64 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -159.96 -36.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.673 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.504 ' O ' ' OG1' ' A' ' 516' ' ' THR . 2.7 t -35.91 -55.06 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.472 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.504 ' OG1' ' O ' ' A' ' 515' ' ' SER . 7.0 m -170.19 -63.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.441 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' A' ' 518' ' ' LEU . 74.9 m-20 -132.27 -69.21 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.451 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.597 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.3 mm? 56.25 150.96 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.48 107.31 0.1 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.762 2.308 . . . . 0.0 112.0 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 13.3 pt -65.88 -15.53 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -66.84 -80.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.528 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 31.0 p -51.98 -45.92 64.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.52 -41.56 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -48.04 -52.99 17.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 28.6 mtt -64.36 -41.9 96.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.613 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.66 -44.74 66.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.517 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 16.5 m -63.96 -31.55 72.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.577 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -42.79 92.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.521 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.8 64.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.59 -49.07 27.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.527 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -73.67 -53.18 10.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.509 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -46.32 -30.03 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.526 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.487 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.5 t -88.87 -48.66 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.572 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -75.56 18.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.487 ' H ' ' C ' ' A' ' 533' ' ' VAL . 13.4 p -53.79 -30.42 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.544 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -94.24 -61.47 1.08 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 70.0 p -57.7 -168.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.6 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.446 ' O ' ' ND2' ' A' ' 539' ' ' ASN . 41.3 t -168.6 143.57 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 20.7 m120 -160.78 138.67 9.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.564 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.87 -36.33 42.29 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -45.82 -44.65 14.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.521 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 95.7 mt -57.22 -61.49 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.539 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.404 ' OG1' ' OH ' ' A' ' 574' ' ' TYR . 8.2 m -44.77 -53.13 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.503 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.51 ' HG1' ' N ' ' A' ' 545' ' ' SER . 47.2 p -56.62 -39.85 74.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.418 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.51 ' N ' ' HG1' ' A' ' 544' ' ' THR . 7.0 m -63.17 -50.39 70.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 0.0 110.02 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -31.35 52.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.222 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.38 -46.45 60.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.455 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 544' ' ' THR . 63.0 m-20 -52.36 -36.37 53.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -74.05 -40.55 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.598 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -53.11 -62.46 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.539 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 31.3 mt -57.57 -59.98 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 553' ' ' ARG . 86.2 mt-10 -48.75 -80.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 552' ' ' GLU . 28.0 ttp180 58.88 147.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.533 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.515 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -105.6 -26.31 11.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.508 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 55.61 7.92 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.094 0.473 . . . . 0.0 109.869 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.515 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -68.61 -27.68 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.589 -179.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -118.78 78.31 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.512 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.7 -9.65 43.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.568 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -57.09 -91.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.648 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 90.5 m -57.21 158.95 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.554 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -66.61 172.6 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.57 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -172.02 -39.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.587 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.73 -14.18 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -67.37 -77.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.63 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -56.83 -49.34 75.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 10.3 tp -47.61 -49.25 27.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -58.17 -61.74 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.586 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 571' ' ' GLY . 83.7 mt -42.01 -56.8 2.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -41.13 -68.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.61 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 47.9 tp -46.07 -23.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.505 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.499 ' C ' ' H ' ' A' ' 573' ' ' LEU . . . -82.23 -77.55 1.05 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.3 pt -53.54 -8.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 110.601 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' A' ' 571' ' ' GLY . 19.8 tp -49.97 -58.76 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.485 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.404 ' OH ' ' OG1' ' A' ' 543' ' ' THR . 97.6 m-85 -84.42 -175.96 6.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.615 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' MET . . . . . 0.531 ' C ' ' H ' ' A' ' 577' ' ' GLN . 24.1 ttt -172.49 -40.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -65.59 6.28 1.36 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.531 ' H ' ' C ' ' A' ' 575' ' ' MET . 72.2 mt-30 52.19 -115.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.552 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 76.01 161.09 10.28 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -64.81 -16.17 62.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.566 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 581' ' ' VAL . 12.6 pt20 -48.15 -42.12 28.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' A' ' 580' ' ' GLN . 87.4 t -60.88 -43.46 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.13 -43.47 61.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.26 -55.11 23.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 95.9 t -42.56 -59.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 10.0 mp -48.24 -39.99 23.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.404 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -54.3 -40.6 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.318 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.458 ' HG1' ' CE1' ' C' ' 68' ' ' HIS . 4.1 m -61.8 -59.91 4.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.386 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 89.8 mt -43.82 -31.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.328 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 7.8 t -88.89 -31.3 18.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.393 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -47.09 -39.19 12.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.436 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 4.4 pt -84.64 123.47 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.463 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.434 ' N ' ' CD ' ' A' ' 592' ' ' GLU . 12.1 mp0 -54.19 164.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.46 ' O ' ' SD ' ' A' ' 595' ' ' MET . 13.9 m170 53.0 72.81 1.06 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.534 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.86 96.56 1.06 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.979 2.453 . . . . 0.0 111.861 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.46 ' SD ' ' O ' ' A' ' 593' ' ' HIS . 0.0 OUTLIER -76.91 -24.58 52.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 599' ' ' ILE . 26.9 p -85.7 2.18 46.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.534 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 596' ' ' THR . 31.7 t -33.78 -40.41 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.698 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -52.3 -50.15 62.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . 0.532 ' CD1' ' N ' ' A' ' 599' ' ' ILE . 1.8 mp -70.1 -36.2 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.413 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -51.31 -43.75 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.468 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 55.4 t -71.84 -38.3 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 14.9 tp -57.04 -73.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 62.5 t -47.37 -52.84 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -45.79 -50.4 11.57 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 24.1 p -51.96 -32.24 32.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.468 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 55.4 m -85.31 -170.58 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 51.24 -144.55 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -69.16 131.0 44.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' THR . . . . . 0.519 ' HG1' ' N ' ' A' ' 610' ' ' GLY . 11.2 t -48.71 171.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . 0.519 ' N ' ' HG1' ' A' ' 609' ' ' THR . . . 175.36 -97.59 0.11 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 87.9 m -50.2 -20.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 117.984 -1.454 . . . . 0.0 110.917 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.488 ' N ' ' O ' ' B' ' 17' ' ' VAL . 29.2 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -101.47 111.38 23.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.678 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 pt -112.89 153.46 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.6 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -109.6 157.03 19.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 74.4 t -132.55 107.22 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -88.61 123.08 32.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.486 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 44.1 p -72.78 -140.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -134.43 38.82 3.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 40.8 p -147.44 -26.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.76 -4.25 3.58 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -85.47 143.3 28.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.806 0.336 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -134.61 137.91 44.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -110.42 173.58 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 16.8 m -142.5 97.3 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.425 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' B' ' 15' ' ' LEU . 10.5 mp -102.97 144.08 31.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -97.18 123.48 40.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.305 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' B' ' 1' ' ' MET . 6.0 m -145.96 -164.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.817 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.529 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 4.6 mt-10 -146.03 147.74 33.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.307 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.28 -16.98 0.17 Allowed 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.826 2.351 . . . . 0.0 112.261 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.417 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -88.08 -27.41 21.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.798 -179.804 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.529 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -50.1 141.4 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.704 -179.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.9 p -94.11 139.85 30.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.588 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.6 mm -40.58 -50.41 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -50.34 -44.65 54.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.548 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -60.52 -40.26 90.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.476 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.18 -57.29 12.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.312 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -47.1 -41.99 18.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.326 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.35 90.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.446 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -57.44 -35.63 70.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.485 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 6.5 mt -68.41 -48.7 71.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.381 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.98 -31.54 60.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.485 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -77.3 -27.33 52.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.513 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -78.42 -59.89 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -93.32 -106.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.553 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.75 10.94 0.05 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 21.5 mt -83.63 119.81 74.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.687 0.28 . . . . 0.0 110.505 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -72.69 146.46 43.36 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.709 2.273 . . . . 0.0 111.971 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.551 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.08 -60.41 0.87 Allowed 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.859 2.373 . . . . 0.0 111.964 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -44.21 -15.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.674 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' B' ' 38' ' ' PRO . 58.7 mm-40 -119.92 40.3 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.503 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' B' ' 38' ' ' PRO . 70.5 mt-30 -133.39 153.57 51.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.56 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -155.74 89.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.464 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.62 126.09 31.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.52 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 28.0 mt -127.18 134.8 65.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.502 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -143.87 143.71 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.594 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.1 27.96 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.522 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.27 33.71 73.78 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -144.23 130.72 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.783 0.325 . . . . 0.0 110.573 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' B' ' 50' ' ' LEU . 19.6 tm0? -74.44 131.96 41.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.465 ' O ' ' NE2' ' B' ' 49' ' ' GLN . 22.1 mt -81.69 107.5 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.554 ' H ' ' HH ' ' B' ' 59' ' ' TYR . 28.1 mt-10 -70.05 150.6 46.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.475 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.36 151.21 45.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.89 -55.75 1.88 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -53.22 170.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.741 0.305 . . . . 0.0 110.708 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 41.4 p -108.45 168.43 9.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.634 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.4 -34.74 78.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.621 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.57 ' C ' ' H ' ' B' ' 59' ' ' TYR . 60.7 p -60.85 -30.8 70.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.65 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.527 ' O ' ' CD1' ' B' ' 59' ' ' TYR . 2.0 m-20 -72.6 25.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.57 ' H ' ' C ' ' B' ' 57' ' ' SER . 74.0 m-85 -154.67 11.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.462 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.2 m120 54.25 27.46 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.2 mt -76.28 93.32 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -78.74 -157.59 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.596 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -84.88 158.31 20.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.729 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 57.64 35.32 25.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.793 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.5 m -93.17 136.24 33.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.529 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -89.72 109.01 20.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.538 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mp -89.3 112.45 23.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -72.82 98.83 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 19.4 tp -85.4 114.3 22.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.554 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -119.4 159.09 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.655 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 36.6 mt -94.41 118.88 32.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.49 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.43 ' CG ' ' N ' ' B' ' 73' ' ' LEU . 22.3 ttp180 -67.0 166.0 14.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.43 ' N ' ' CG ' ' B' ' 72' ' ' ARG . 17.1 mt -40.62 122.56 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.533 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -73.39 135.39 44.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.579 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.22 -157.99 23.22 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.796 0 CA-C-O 118.015 -1.436 . . . . 0.0 110.957 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.53 ' N ' ' O ' ' C' ' 17' ' ' VAL . 30.0 ttp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -97.02 123.28 40.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.552 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 6.3 pt -127.72 151.57 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.64 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . 0.411 ' O ' HD13 ' C' ' 67' ' ' LEU . 96.6 m-85 -106.18 148.54 27.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.612 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 64.6 t -133.68 110.93 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.425 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -93.44 130.02 39.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.593 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 81.5 p -95.43 141.92 28.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.447 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.28 -46.96 25.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 34.6 p -52.22 -44.84 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.49 83.92 0.4 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -174.49 123.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.609 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -97.95 140.8 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -130.79 131.5 64.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -101.08 120.45 40.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.423 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -120.24 134.45 55.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.791 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' C' ' 16' ' ' GLU . 15.6 mp0 -91.22 87.37 6.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.7 m -111.87 -163.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.729 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.446 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 14.2 mt-10 -148.64 153.47 39.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.344 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.02 -46.49 13.13 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.924 2.416 . . . . 0.0 112.363 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.449 ' O ' ' C ' ' C' ' 21' ' ' ASP . 1.2 p -59.67 -45.47 91.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.9 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 1.9 m-20 -33.96 138.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.794 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 2.4 p -91.45 145.18 24.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.606 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 19.9 mm -44.01 -52.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.409 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -49.35 -40.49 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.352 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -61.81 -41.74 98.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.184 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.01 -49.0 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.252 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' C' ' 41' ' ' GLN . 68.6 mttm -53.23 -38.1 62.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.271 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.16 80.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.424 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -56.77 -39.33 73.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.367 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.5 mt -67.25 -39.37 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.429 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -59.87 -36.97 78.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.498 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.99 -33.37 68.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -71.57 -60.15 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -90.64 -89.18 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.54 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.16 1.96 0.03 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -72.16 132.71 84.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.665 0.269 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.07 140.6 28.46 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.707 2.271 . . . . 0.0 111.87 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.01 -62.05 0.5 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.754 2.303 . . . . 0.0 112.055 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -40.96 -26.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.646 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' C' ' 38' ' ' PRO . 23.1 mt-30 -111.02 64.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.514 ' O ' ' NZ ' ' C' ' 27' ' ' LYS . 70.3 mt-30 -151.73 111.55 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.655 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -104.6 106.47 16.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.432 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.426 ' CD1' ' HZ1' ' C' ' 27' ' ' LYS . 16.8 mt -97.51 123.24 41.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.763 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 mt -116.49 146.14 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.485 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 80.3 t80 -160.56 178.08 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.49 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . 0.603 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -43.36 -19.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.619 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -105.52 30.72 9.38 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' C' ' 45' ' ' PHE . 5.2 ttmm 62.53 -150.44 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.529 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . 0.445 ' H ' ' HG2' ' C' ' 48' ' ' LYS . 46.1 mt-30 -71.79 133.73 45.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.5 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.0 117.35 29.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.679 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -76.97 158.71 30.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.576 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.27 164.62 25.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.581 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 84.72 -60.27 4.83 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' C' ' 53' ' ' GLY . 14.7 mmt85 -44.12 169.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 110.563 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 70.9 p -113.88 164.51 13.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.63 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.94 -1.26 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.545 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.476 ' C ' ' H ' ' C' ' 59' ' ' TYR . 4.9 t -93.66 -31.21 14.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.638 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -72.97 14.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.476 ' H ' ' C ' ' C' ' 57' ' ' SER . 56.6 m-85 -138.83 8.17 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.518 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 56.06 29.67 14.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 74.1 mt -78.34 91.82 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.376 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -78.06 -157.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.65 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -81.81 159.79 23.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.684 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 59.42 33.6 22.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.685 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 11.3 m -92.66 121.46 34.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.508 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 85.5 m -95.12 105.85 17.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . 0.411 HD13 ' O ' ' C' ' 4' ' ' PHE . 1.1 mp -100.54 146.76 26.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.589 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . 0.458 ' CE1' ' HG1' ' A' ' 587' ' ' THR . 0.5 OUTLIER -87.91 149.32 24.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.217 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . 0.401 HD13 ' H ' ' C' ' 70' ' ' VAL . 47.1 tp -136.03 133.13 37.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.752 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.401 ' H ' HD13 ' C' ' 69' ' ' LEU . 4.6 t -141.01 115.5 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.582 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' C' ' 71' ' ' LEU . 0.3 OUTLIER -72.12 165.16 24.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.483 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -57.48 -65.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.496 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 23.7 tp -166.11 110.71 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.524 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 51.5 ttm-85 53.76 97.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.41 152.94 8.32 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 40.6 mt -81.0 -25.55 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 0.0 110.511 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -78.69 -1.27 33.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.571 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -42.17 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -87.6 11.94 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.598 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.431 ' O ' ' OG ' ' A' ' 500' ' ' SER . . . -42.96 -90.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 500' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 499' ' ' GLY . 5.4 m -167.29 35.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.573 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 71.2 tttt 62.77 99.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -116.09 156.69 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -84.8 1.14 48.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -83.96 -28.15 27.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.112 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.404 ' H ' HG23 ' A' ' 505' ' ' VAL . 4.8 t -55.05 -66.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.371 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.452 ' CD2' HD22 ' A' ' 530' ' ' LEU . 8.9 mt -71.64 -23.58 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.419 ' O ' HD12 ' A' ' 508' ' ' LEU . . . -68.11 -12.41 62.85 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 507' ' ' GLY . 2.6 mp -124.13 -45.2 2.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 110.722 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.1 -55.5 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.903 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.603 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 8.7 tp -45.12 -60.11 3.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.69 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.603 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.5 Cg_endo -48.02 -52.2 8.66 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.414 2.076 . . . . 0.0 111.662 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.434 ' O ' HG22 ' A' ' 512' ' ' ILE . 85.5 mt -55.89 -14.9 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.601 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.41 ' HB2' ' HB1' ' A' ' 523' ' ' ALA . . . -139.61 32.54 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.733 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.481 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -153.71 -37.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.781 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 514' ' ' ALA . 17.9 t -31.95 -58.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.675 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 515' ' ' SER . 22.7 m -171.41 -45.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.422 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.535 ' O ' ' O ' ' A' ' 518' ' ' LEU . 52.6 t0 -146.01 -76.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.42 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.609 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.2 mm? 55.03 149.43 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.43 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.03 132.0 10.98 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.779 2.319 . . . . 0.0 111.908 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 98.7 mt -74.93 -38.57 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 524' ' ' ALA . 48.8 mt-10 -49.81 -80.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 7.3 m -45.0 -46.26 11.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 513' ' ' ALA . . . -56.42 -32.87 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 524' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 521' ' ' GLU . . . -58.23 -60.55 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.485 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 25.2 mtt -55.59 -32.52 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.532 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -67.04 -47.09 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.554 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 9.1 t -51.35 -43.06 61.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.48 -42.73 98.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 529' ' ' ALA . . . . . 0.486 ' O ' HG23 ' A' ' 533' ' ' VAL . . . -50.95 -40.1 56.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.609 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.452 HD22 ' CD2' ' A' ' 506' ' ' LEU . 16.7 mt -67.19 -43.61 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -56.25 -72.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.626 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 532' ' ' HIS . . . . . 0.404 ' O ' HG12 ' A' ' 535' ' ' VAL . 16.1 t-80 -42.97 -51.32 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.691 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.519 ' C ' ' H ' ' A' ' 535' ' ' VAL . 82.7 t -61.2 -73.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.583 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -73.11 29.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.568 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.519 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -59.38 -30.36 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.551 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.14 -79.35 0.87 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 537' ' ' THR . 12.9 t -85.32 125.88 33.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.592 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 20.8 p -114.53 160.28 19.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.5 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -135.55 156.48 48.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -71.19 -48.09 33.55 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -43.72 -37.25 2.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 0.0 110.577 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.81 -47.15 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.639 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.5 m -69.19 -56.29 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.628 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 70.3 p -41.27 -56.24 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.592 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 58.8 p -58.18 -51.14 70.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 0.0 110.291 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -26.19 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.32 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.9 tpt -76.01 -48.8 19.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -47.32 -44.63 23.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.42 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -68.56 -35.9 78.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.518 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 550' ' ' PHE . . . . . 0.453 ' CE1' ' NH1' ' A' ' 553' ' ' ARG . 13.7 t80 -55.56 -43.06 75.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.521 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 553' ' ' ARG . 24.4 mt -70.59 -46.26 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -50.01 -14.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.453 ' NH1' ' CE1' ' A' ' 550' ' ' PHE . 29.5 ttp180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.488 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.766 0.317 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.416 ' H ' ' H ' ' A' ' 563' ' ' VAL . 30.0 p-90 -178.17 -9.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.621 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.416 ' H ' ' H ' ' A' ' 562' ' ' TRP . 11.8 p -63.86 -31.08 51.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.561 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -62.42 -64.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -51.57 -44.62 62.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 569' ' ' ALA . 27.7 tp -55.16 -49.14 72.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.514 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.37 -63.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.629 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 568' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' A' ' 568' ' ' LEU . 14.1 mt -43.21 -32.88 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 566' ' ' LEU . . . -62.56 -60.34 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.592 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 39.9 mt -55.15 -12.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -94.36 -78.2 1.4 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 3.5 tp -42.38 -32.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.548 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.7 tp -44.72 -63.08 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -83.33 -176.67 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 4.5 ptt? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.532 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -65.25 -61.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.526 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 41.4 t -57.0 -40.25 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.559 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -49.62 -42.39 44.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.47 -38.12 80.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.583 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 44.4 t -58.28 -55.44 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 49.5 mt -55.87 -32.16 63.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.476 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -66.21 -36.48 83.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.412 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 31.6 m -68.95 -53.98 17.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 94.0 mt -46.55 -39.8 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.573 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 25.5 p -75.09 -27.59 59.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 587' ' ' THR . . . -57.07 -37.18 71.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.549 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 9.0 pt -102.93 68.02 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 60.7 -168.12 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.598 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 2.7 p-80 -138.11 77.57 36.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 594' ' ' PRO . . . . . 0.485 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.06 -158.14 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.963 2.442 . . . . 0.0 111.966 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.438 ' C ' ' H ' ' A' ' 597' ' ' SER . 50.0 mtt -64.39 4.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.485 ' H ' ' C ' ' A' ' 594' ' ' PRO . 38.0 p -60.12 -4.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.581 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 597' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 595' ' ' MET . 22.9 p -45.86 -46.74 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -47.68 -45.44 28.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.529 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 14.9 mm -69.75 -46.83 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.584 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -49.66 -59.65 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.8 -66.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 57.1 tp -44.13 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 42.2 t -51.8 -28.16 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.552 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.44 -40.17 96.15 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 8.3 t -64.97 -52.21 57.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.552 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 52.2 t -81.36 128.29 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -105.38 107.56 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.417 HG12 HG22 ' B' ' 17' ' ' VAL . 14.2 pt -104.2 155.45 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.632 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -116.24 153.32 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.638 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -129.78 106.16 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.365 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -80.76 125.97 30.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.65 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.404 ' C ' ' H ' ' B' ' 9' ' ' THR . 33.5 p -90.11 156.09 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.398 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.73 44.45 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.523 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.404 ' H ' ' C ' ' B' ' 7' ' ' THR . 25.1 p -143.73 -43.98 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.62 -15.42 1.81 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -82.96 139.42 33.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.4 m -118.44 120.94 39.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.479 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -95.53 129.38 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.665 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.7 m -103.87 124.56 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.422 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.6 mt -131.58 141.5 49.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.752 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -91.67 110.64 21.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.346 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.519 HG21 ' CD1' ' B' ' 56' ' ' LEU . 10.7 m -126.38 -173.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.746 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.479 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 7.5 mt-10 -126.32 172.75 5.97 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.183 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.64 -17.6 18.06 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.851 2.367 . . . . 0.0 112.16 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.7 t -97.81 -11.83 22.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.641 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 36.1 m-20 -55.59 137.1 49.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.525 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.0 p -86.66 139.45 30.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.0 mm -45.77 -50.49 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.23 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -48.61 -40.93 29.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.167 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -62.28 -45.49 93.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.222 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.22 -52.61 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.23 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -51.46 -38.7 55.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.172 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.43 98.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.272 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -61.93 -37.78 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.44 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mt -66.71 -36.77 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.485 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -66.76 -34.7 78.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.46 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -72.71 -26.21 61.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -84.01 -64.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -81.76 -108.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.5 12.34 0.04 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 80.1 mt -87.54 126.06 63.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.648 0.261 . . . . 0.0 110.523 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -72.91 146.33 41.88 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.566 2.177 . . . . 0.0 111.952 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.661 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -45.95 -50.03 10.34 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.817 2.345 . . . . 0.0 112.054 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.88 21.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.703 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.661 ' H ' ' C ' ' B' ' 38' ' ' PRO . 59.9 mt-30 -151.85 48.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.476 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -147.79 148.03 30.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.401 ' HE ' ' CD ' ' B' ' 49' ' ' GLN . 54.9 ttt180 -142.1 96.1 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.501 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.429 HD23 ' N ' ' B' ' 43' ' ' LEU . 4.2 mt -84.38 127.42 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mt -127.94 145.74 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -145.47 136.12 24.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.05 27.46 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.85 38.57 30.76 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -142.17 118.63 10.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.596 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.401 ' CD ' ' HE ' ' B' ' 42' ' ' ARG . 6.8 tt0 -72.64 136.31 45.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -92.43 137.11 32.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.558 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -102.6 148.98 24.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.58 178.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.538 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 69.05 -63.8 0.51 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' B' ' 53' ' ' GLY . 4.4 mpt_? -41.61 166.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.602 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.5 p -118.08 166.03 13.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.565 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.519 ' CD1' HG21 ' B' ' 17' ' ' VAL . 82.6 mt -63.85 -3.22 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.1 p -96.69 -21.28 17.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.535 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.98 9.03 11.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.472 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -135.89 11.15 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 55.06 32.46 18.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.714 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.7 mt -82.44 94.62 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.413 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -77.59 -160.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -84.33 160.31 20.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.727 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 60.28 30.78 20.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.809 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.6 m -90.62 128.89 36.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.444 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 28.2 m -91.12 92.36 8.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.534 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.88 126.38 30.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.89 108.23 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.451 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 16.9 tp -87.91 101.15 13.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.09 149.08 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.48 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.573 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.7 mm? -90.99 118.9 30.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.586 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -73.7 99.85 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.475 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 9.7 pt -100.28 158.8 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -114.7 145.65 41.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.622 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.58 105.89 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.496 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -88.75 130.76 35.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.615 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 81.0 p -96.73 141.94 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.46 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.511 ' O ' HD23 ' C' ' 8' ' ' LEU . 1.0 OUTLIER -48.52 -47.94 38.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.496 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 44.0 p -48.63 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.67 74.22 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -167.59 127.55 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.606 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 36.8 m -102.62 129.77 49.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.464 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mt -116.33 129.71 72.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.61 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 10.3 m -93.61 123.45 36.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.414 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 26.6 mt -131.55 129.79 41.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' C' ' 16' ' ' GLU . 27.1 mp0 -88.29 104.21 16.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.302 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.437 HG21 ' CD1' ' C' ' 56' ' ' LEU . 8.7 m -124.21 -177.13 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.564 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 3.7 mt-10 -124.44 175.03 3.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.202 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.15 -22.04 14.95 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.803 2.335 . . . . 0.0 112.171 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 6.9 t -93.84 -6.17 46.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.622 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.564 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 19.2 m-20 -61.93 137.85 58.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.532 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.6 p -88.01 140.19 29.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.747 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 40.7 mm -46.21 -47.82 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.305 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -51.95 -40.35 60.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.27 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -62.34 -43.48 98.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.127 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.48 -47.88 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.205 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -54.04 -42.07 68.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.358 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -44.62 93.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.349 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -59.2 -41.5 88.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.377 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.6 mt -62.32 -45.02 99.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.383 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -57.48 -37.85 73.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.402 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -68.94 -24.86 64.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.495 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -82.47 -64.38 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.518 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -88.86 -101.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.42 19.22 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.544 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 74.0 mt -87.23 108.71 20.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.643 0.258 . . . . 0.0 110.516 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.75 138.13 11.74 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.651 2.234 . . . . 0.0 111.915 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.552 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.66 -44.83 21.0 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.771 2.314 . . . . 0.0 112.092 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -70.05 28.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.793 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.552 ' H ' ' C ' ' C' ' 38' ' ' PRO . 63.8 mt-30 -155.0 47.43 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 67.3 mt-30 -150.69 98.13 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -88.34 104.4 16.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.394 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 63.1 mt -88.08 137.03 32.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.697 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 mt -140.88 140.64 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.553 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' PHE . . . . . 0.589 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 53.0 t80 -126.35 -178.87 4.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 46' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -38.44 -40.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.16 -92.81 0.08 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -146.32 -142.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.574 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -86.61 138.18 31.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 mt -91.84 132.34 36.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.618 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -98.84 159.75 14.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.611 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.3 OUTLIER -64.98 165.61 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 53' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 82.95 -68.72 3.51 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.0 mmt180 -39.6 161.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 110.516 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.476 ' C ' ' H ' ' C' ' 57' ' ' SER . 39.9 p -113.44 163.35 14.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.568 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.437 ' CD1' HG21 ' C' ' 17' ' ' VAL . 70.2 mt -64.24 3.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.637 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 57' ' ' SER . . . . . 0.476 ' H ' ' C ' ' C' ' 55' ' ' THR . 3.1 t -95.65 -26.02 15.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.643 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.14 18.87 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.572 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' C' ' 60' ' ' ASN . 86.5 m-85 -141.47 -9.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 60' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' C' ' 59' ' ' TYR . 10.4 t-20 76.17 10.79 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.705 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -58.65 106.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.494 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -84.54 -157.72 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.664 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -87.01 160.64 18.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.729 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 56.72 27.47 12.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.776 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -87.97 134.46 33.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.587 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 7.9 m -89.9 111.82 22.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mt -101.63 121.99 43.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -71.13 142.4 50.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.209 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 69' ' ' LEU . . . . . 0.737 ' C ' HD23 ' C' ' 69' ' ' LEU . 6.3 tt -134.8 121.22 20.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.599 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.64 ' N ' HD23 ' C' ' 69' ' ' LEU . 16.9 t -119.39 104.3 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.437 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.735 ' H ' HD23 ' C' ' 71' ' ' LEU . 1.8 pt? -77.54 147.21 35.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.684 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -84.22 91.59 7.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 24.0 mt 60.65 164.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -46.23 126.11 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.658 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.6 -83.38 0.11 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 9.0 tp -76.51 -26.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.491 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 498' ' ' ALA . . . -53.66 -51.38 63.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.41 ' O ' ' OG ' ' A' ' 500' ' ' SER . 63.0 m-85 -42.54 -22.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.664 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 496' ' ' ALA . . . -43.64 -35.05 1.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -96.66 57.34 1.34 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 500' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 497' ' ' PHE . 12.8 p -174.42 -82.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 110.571 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 45.8 tttp 65.38 33.75 8.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.533 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 7.9 t-20 -90.79 -169.54 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 503' ' ' ASP . . . . . 0.533 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 68.1 m-20 -89.99 6.28 42.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.418 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -81.57 -33.11 31.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.226 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.443 HG23 ' H ' ' A' ' 505' ' ' VAL . 2.1 t -53.35 -60.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.388 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.9 mp -75.0 -17.56 60.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.463 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -67.69 -18.14 69.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 19.6 mt -119.61 -43.81 2.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.731 0.301 . . . . 0.0 110.755 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.7 mp -67.39 -56.71 8.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.94 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.63 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 7.1 tp -45.07 -60.54 3.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.734 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.63 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -47.61 -47.46 18.09 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.474 2.116 . . . . 0.0 111.799 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.47 -17.87 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.67 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -128.75 1.33 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.625 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -131.29 -4.96 3.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 511' ' ' PRO . 3.2 t -45.47 -67.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -178.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 515' ' ' SER . 2.0 m -169.17 -57.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.523 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -159.65 59.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.633 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 95.8 mt -82.75 150.5 62.58 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.71 139.21 7.62 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.816 2.344 . . . . 0.0 111.991 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 520' ' ' ILE . 62.4 mt -75.19 -4.07 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.504 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -64.78 -41.58 95.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 522' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 524' ' ' ALA . 7.4 m -101.36 -55.49 2.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.665 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.412 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -39.99 -28.48 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.694 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 524' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 522' ' ' THR . . . -70.63 -64.79 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.515 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 36.3 mtt -46.16 -52.65 11.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -48.51 -41.52 30.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.53 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 527' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 523' ' ' ALA . 3.7 m -56.55 -36.2 69.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.487 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 21.8 mt -74.87 -16.86 60.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.568 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -76.76 -49.19 16.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.565 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.74 -35.58 81.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.557 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -61.71 -62.21 1.96 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.531 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -45.46 -44.98 12.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.539 ' C ' ' H ' ' A' ' 535' ' ' VAL . 78.2 t -73.1 -71.55 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.585 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -71.76 30.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.672 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.5 p -55.29 -40.87 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.582 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.508 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -85.1 -87.43 0.92 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 537' ' ' THR . 9.0 t -61.45 121.84 13.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 110.588 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 44.7 t -113.14 168.82 9.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.514 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.583 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 18.8 m-20 -133.65 -178.1 4.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.565 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -97.97 -53.12 1.31 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -42.03 -42.44 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.563 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 82.7 mt -54.91 -48.6 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.617 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 89.4 m -62.76 -61.54 2.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.409 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 63.6 p -44.93 -50.1 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.472 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 81.9 p -59.6 -42.29 92.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.372 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 546' ' ' ILE . . . . . 0.401 ' O ' ' CD1' ' A' ' 550' ' ' PHE . 0.3 OUTLIER -66.64 -30.6 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.361 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 76.9 mmm -75.76 -43.69 45.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.479 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' C' ' 72' ' ' ARG . 46.9 m-20 -53.85 -38.34 64.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.512 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -72.56 -41.83 65.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.515 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 550' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 546' ' ' ILE . 3.0 m-85 -51.17 -50.39 59.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.474 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.561 HD22 HD13 ' A' ' 591' ' ' ILE . 36.5 mt -69.41 -47.16 65.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.497 ' OE2' ' NH1' ' C' ' 72' ' ' ARG . 36.5 mt-10 -77.93 21.73 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.559 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.567 ' NH1' ' CH2' ' A' ' 562' ' ' TRP . 31.3 ttp85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.511 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.819 0.342 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.567 ' CH2' ' NH1' ' A' ' 553' ' ' ARG . 64.9 p-90 -176.78 -38.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.496 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.495 ' N ' ' CD2' ' A' ' 562' ' ' TRP . 11.6 p -64.7 -23.19 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.619 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -67.46 -36.04 80.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.58 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -75.78 -63.21 1.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.8 mp -44.21 -41.24 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.628 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.4 87.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.518 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 568' ' ' LEU . . . . . 0.463 ' HA ' HD22 ' A' ' 568' ' ' LEU . 0.2 OUTLIER -59.16 -70.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.472 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -44.77 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.624 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 56.6 tp -43.32 -24.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -82.7 -78.86 1.03 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.4 tt -46.76 -20.35 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.621 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.413 ' N ' ' C ' ' A' ' 571' ' ' GLY . 19.5 tp -44.89 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.508 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -82.35 121.85 27.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.527 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 48.2 mtm . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.6 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.769 0.319 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -50.76 -54.34 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 98.2 t -55.86 -47.13 80.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -45.75 -39.49 8.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.48 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.26 -43.54 81.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.504 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 54.0 t -54.04 -55.5 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 19.2 mt -50.72 -44.74 58.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.496 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -52.7 -37.95 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.523 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 22.8 m -62.08 -46.49 88.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.409 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 58.7 mt -51.61 -36.62 18.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.498 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 21.6 p -83.96 -28.54 27.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -57.12 -51.07 70.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.561 HD13 HD22 ' A' ' 551' ' ' LEU . 13.4 tt -81.25 154.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.553 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.531 ' O ' ' ND1' ' A' ' 593' ' ' HIS . 30.9 tt0 -64.49 94.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.591 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.531 ' ND1' ' O ' ' A' ' 592' ' ' GLU . 9.8 m-70 -160.79 73.57 2.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.477 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -9.18 19.97 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.982 2.455 . . . . 0.0 111.956 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.437 ' C ' ' H ' ' A' ' 597' ' ' SER . 45.3 mtt -78.0 -45.12 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 68.1 p -60.82 -3.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.546 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 597' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 595' ' ' MET . 15.7 t -48.82 -30.22 5.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.543 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.9 -48.46 79.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.8 -36.56 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -56.41 -38.62 71.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 84.5 t -69.63 -40.94 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.495 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 12.5 tp -56.23 -75.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 17.3 t -52.27 -36.16 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -59.34 -48.2 87.15 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 18.6 p -54.95 -41.27 70.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 74.1 m -84.41 173.18 11.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.535 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.586 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.8 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -88.12 115.86 25.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.621 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -118.64 155.7 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.636 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -114.61 147.01 40.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.866 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -125.31 101.14 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.19 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -87.92 134.69 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.753 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.47 ' C ' ' H ' ' B' ' 9' ' ' THR . 1.5 p -111.19 167.6 10.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.452 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.23 40.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.493 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.47 ' H ' ' C ' ' B' ' 7' ' ' THR . 22.3 p -146.07 15.25 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.47 -15.79 4.33 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' B' ' 9' ' ' THR . 72.6 tttt -69.56 133.57 47.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.677 0.275 . . . . 0.0 110.615 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -125.71 109.58 12.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -90.37 127.42 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.683 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -99.15 120.72 39.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.302 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.7 mt -128.65 139.12 52.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.803 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -88.37 124.65 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.296 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -143.8 -164.76 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.707 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' B' ' 21' ' ' ASP . 23.0 mt-10 -149.15 152.56 36.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.461 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.1 -49.61 9.79 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.991 2.461 . . . . 0.0 112.25 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.445 ' O ' ' C ' ' B' ' 21' ' ' ASP . 0.9 OUTLIER -56.83 -42.76 80.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.932 -179.689 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' B' ' 18' ' ' GLU . 6.7 m-20 -35.83 142.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.79 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.7 p -97.26 146.66 24.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.6 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 20.0 mm -47.59 -54.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.365 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -45.95 -42.93 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.364 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.475 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 25.0 t-20 -59.98 -47.51 85.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.249 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.4 t -55.98 -52.21 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.228 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -51.67 -31.87 27.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.16 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -68.16 -43.13 78.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.301 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -62.19 -37.54 85.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.399 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 6.3 mt -69.36 -40.37 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.378 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -61.01 -35.9 78.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.495 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -72.01 -35.06 69.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.516 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -71.12 -62.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.472 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -88.5 -108.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.498 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.2 9.59 0.05 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 15.0 mt -83.24 118.11 70.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.704 0.288 . . . . 0.0 110.499 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -72.62 144.89 40.72 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.613 2.209 . . . . 0.0 111.973 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.635 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.16 -49.93 10.73 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.782 2.321 . . . . 0.0 111.909 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -59.35 9.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.635 ' H ' ' C ' ' B' ' 38' ' ' PRO . 78.4 mm-40 -143.44 54.7 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -151.0 164.44 36.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.58 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.455 ' HE ' ' CD ' ' B' ' 49' ' ' GLN . 58.9 ttt180 -157.29 90.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.535 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.1 mt -78.87 116.63 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.559 HD12 HG21 ' B' ' 70' ' ' VAL . 12.9 mt -118.5 138.41 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -136.46 132.53 35.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.475 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.24 17.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.447 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.24 -11.77 68.75 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.46 ' NZ ' ' C ' ' C' ' 75' ' ' GLY . 31.0 mttm -88.0 120.24 29.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.527 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.455 ' CD ' ' HE ' ' B' ' 42' ' ' ARG . 47.2 tt0 -75.43 125.82 29.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.564 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.404 HD22 ' CG ' ' B' ' 59' ' ' TYR . 20.3 mt -82.76 128.96 34.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -92.41 159.73 15.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.572 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.73 161.67 30.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.555 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 83.75 -57.21 5.06 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' B' ' 53' ' ' GLY . 13.9 mmt180 -43.9 169.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 0.0 110.624 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 56.1 p -115.39 160.9 19.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.711 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.2 -8.91 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.7 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -91.42 -13.83 31.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.641 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -86.3 7.59 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.404 ' CG ' HD22 ' B' ' 50' ' ' LEU . 66.6 m-85 -133.72 5.37 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.549 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.3 t30 65.11 11.61 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.712 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.91 96.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.422 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -81.09 -171.05 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.693 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -74.37 158.63 33.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 57.53 40.53 26.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.885 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 73.6 m -94.14 154.03 17.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.296 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -109.7 92.33 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.566 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.71 121.13 24.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.6 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -79.78 103.37 9.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.1 tp -80.73 91.7 5.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.465 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.559 HG21 HD12 ' B' ' 44' ' ' ILE . 2.4 t -95.7 154.31 3.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.612 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.555 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.9 mm? -94.52 139.46 31.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.491 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.523 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.464 ' N ' ' O ' ' C' ' 17' ' ' VAL . 29.4 ttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -121.48 115.68 23.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 pt -116.77 154.96 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.743 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.434 ' O ' HD12 ' C' ' 67' ' ' LEU . 86.9 m-85 -110.25 141.84 42.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.506 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 69.6 t -119.88 114.0 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.433 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -94.39 134.29 37.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.575 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 59.2 p -94.54 142.27 27.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.535 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.597 ' O ' HD23 ' C' ' 8' ' ' LEU . 0.8 OUTLIER -55.54 -24.69 33.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.517 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 75.9 p -71.32 -64.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.43 72.73 0.01 OUTLIER Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -172.83 132.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.612 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -104.27 152.72 21.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.483 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.401 HD13 HG21 ' C' ' 13' ' ' ILE . 4.1 mt -137.03 130.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.703 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 9.3 m -93.27 121.06 34.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.304 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.3 mt -123.91 128.51 49.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -89.13 118.5 28.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.152 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.48 HG21 ' CD1' ' C' ' 56' ' ' LEU . 10.3 m -144.6 -174.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.619 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 4.1 mt-10 -129.5 145.21 55.96 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.375 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.26 -15.66 0.19 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.848 2.366 . . . . 0.0 112.362 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 8.5 t -96.57 -19.35 19.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.312 . . . . 0.0 110.826 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.619 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 1.0 OUTLIER -43.09 136.36 2.86 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 172.174 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.0 p -89.68 141.52 28.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.49 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mm -42.66 -57.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.621 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -46.8 -40.15 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -62.02 -43.34 99.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.329 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.1 -47.57 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.161 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -53.19 -41.76 65.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.214 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.71 84.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.34 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -55.29 -39.07 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.299 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.8 mt -66.37 -42.42 90.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.391 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -57.58 -36.72 72.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.44 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -71.07 -35.27 71.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -68.76 -56.27 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.548 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -96.65 -82.31 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.82 32.37 0.03 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 30.4 mt -103.0 114.14 65.43 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.656 0.265 . . . . 0.0 110.528 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -46.31 136.27 15.05 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.6 2.2 . . . . 0.0 111.734 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.23 -63.42 0.33 Allowed 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.793 2.329 . . . . 0.0 112.006 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -39.64 -35.35 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -94.97 59.84 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.707 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 59.9 mt-30 -157.02 134.11 10.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.584 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -126.96 108.27 10.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.427 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 27.4 mt -99.44 120.87 40.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.759 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 90.5 mt -122.12 129.51 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.406 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' PHE . . . . . 0.59 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 52.6 t80 -117.12 165.84 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.555 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 46' ' ' ALA . . . . . 0.59 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -40.14 -40.85 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.75 -67.63 2.0 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -173.7 -160.7 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.501 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -80.23 128.34 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.5 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' LEU . . . . . 0.443 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 10.8 mt -79.85 115.66 19.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.557 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -82.96 158.99 22.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.16 104.8 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.546 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 53' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 144.95 -67.47 0.42 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' C' ' 53' ' ' GLY . 10.0 mmt85 -44.63 173.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.725 0.297 . . . . 0.0 110.597 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.491 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 72.9 p -115.68 172.4 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.536 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.48 ' CD1' HG21 ' C' ' 17' ' ' VAL . 56.2 mt -70.91 2.49 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.781 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 57' ' ' SER . . . . . 0.491 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 23.1 p -93.42 -27.46 16.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.789 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.07 -1.39 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.679 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.443 ' CD2' ' CD2' ' C' ' 50' ' ' LEU . 61.1 m-85 -122.15 13.45 10.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.527 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 47.63 37.56 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.709 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 70.0 mt -84.82 98.17 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.487 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -79.39 -159.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -86.77 159.77 19.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.689 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 57.29 33.51 23.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.712 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m -97.74 131.74 43.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.609 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 9.2 m -91.91 128.57 37.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 67' ' ' LEU . . . . . 0.456 HD12 ' N ' ' C' ' 67' ' ' LEU . 5.6 mp -107.34 172.06 7.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.606 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -119.57 102.31 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.394 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 46.6 tp -93.3 132.61 37.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.453 ' C ' HD12 ' C' ' 71' ' ' LEU . 9.5 t -134.16 133.97 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.518 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.71 HD12 ' N ' ' C' ' 71' ' ' LEU . 7.2 mp -92.93 128.41 38.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.491 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 72' ' ' ARG . . . . . 0.497 ' NH1' ' OE2' ' A' ' 552' ' ' GLU . 8.3 ttt85 -41.96 -39.57 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.366 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 56.0 tp 179.74 149.11 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.363 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -41.18 131.11 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.521 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 75' ' ' GLY . . . . . 0.46 ' C ' ' NZ ' ' B' ' 48' ' ' LYS . . . -173.87 -84.55 0.06 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.656 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.705 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 25.0 pt -84.58 13.62 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 110.655 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -93.96 -60.26 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.576 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -85.45 23.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -52.49 -67.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -91.79 88.43 1.36 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 55.2 m -160.07 -54.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.541 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.526 ' HZ2' HG21 ' A' ' 537' ' ' THR . 23.3 mmtp 50.15 74.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.587 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.421 ' C ' ' H ' ' A' ' 504' ' ' GLU . 4.6 m-20 -122.93 149.12 44.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.51 -2.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 504' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 502' ' ' ASN . 9.6 tp10 -84.66 -48.55 9.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.243 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 23.4 t -51.8 -57.35 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.35 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 534' ' ' PHE . 24.4 mt -70.07 -25.26 63.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.616 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.84 -18.1 61.52 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.7 mp -117.83 -39.04 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.737 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 510' ' ' LEU . 7.7 mp -68.18 -65.28 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.946 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.582 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 56.2 tp -38.98 -60.75 1.08 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.958 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.582 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.92 -59.8 1.11 Allowed 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.419 2.079 . . . . 0.0 111.644 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.512 ' O ' HG22 ' A' ' 512' ' ' ILE . 83.7 mt -53.36 -9.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.548 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.446 ' H ' ' C ' ' A' ' 511' ' ' PRO . . . -130.48 13.78 5.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.794 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -172.49 28.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.535 ' OG ' HD12 ' A' ' 518' ' ' LEU . 87.7 p -70.49 -60.17 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.36 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 515' ' ' SER . 1.3 m -170.74 -45.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.529 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.523 ' O ' ' NH2' ' B' ' 72' ' ' ARG . 27.4 t70 -171.31 27.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.641 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.535 HD12 ' OG ' ' A' ' 515' ' ' SER . 29.5 mt -53.97 154.47 7.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.435 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -43.82 159.78 0.09 OUTLIER 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.847 2.365 . . . . 0.0 112.049 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 520' ' ' ILE . 5.5 mt -83.76 -35.5 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -45.48 -81.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.761 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 522' ' ' THR . . . . . 0.575 HG23 ' N ' ' A' ' 523' ' ' ALA . 7.9 t -44.98 -47.79 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.787 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.575 ' N ' HG23 ' A' ' 522' ' ' THR . . . -55.2 -70.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.649 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 524' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 523' ' ' ALA . . . -35.52 -68.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.743 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 22.1 mmt -47.67 -54.39 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.679 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 526' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 528' ' ' LEU . . . -50.95 -68.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.576 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.0 m -40.76 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.686 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.52 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.1 tt -70.31 -51.01 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -68.3 -42.28 79.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.473 HD23 ' C ' ' A' ' 530' ' ' LEU . 1.7 tt -49.62 -61.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.568 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 533' ' ' VAL . . . -59.14 -47.88 83.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 532' ' ' HIS . . . . . 0.411 ' ND1' ' O ' ' A' ' 532' ' ' HIS . 37.5 t-80 -40.46 -29.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.686 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 531' ' ' ALA . 53.3 t -97.17 -46.0 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 534' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 506' ' ' LEU . 20.1 m-85 -87.23 34.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.583 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.457 HG23 ' H ' ' A' ' 535' ' ' VAL . 0.2 OUTLIER -47.74 -49.48 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.758 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 537' ' ' THR . . . -115.95 -25.69 3.52 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.526 HG21 ' HZ2' ' A' ' 501' ' ' LYS . 0.2 OUTLIER -53.38 -166.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 110.619 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.452 ' H ' HG22 ' A' ' 537' ' ' THR . 71.0 m -38.69 124.24 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.592 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.513 ' ND2' ' CE1' ' A' ' 574' ' ' TYR . 49.8 t-20 -140.95 36.58 1.76 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.633 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -99.5 -72.31 1.02 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.33 -40.54 94.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 542' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 538' ' ' CYS . 52.8 mt -50.99 -43.68 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 17.0 m -64.05 -62.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.49 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 69.0 p -45.36 -34.75 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.587 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 545' ' ' SER . . . . . 0.475 ' OG ' HD11 ' A' ' 510' ' ' LEU . 0.1 OUTLIER -74.13 -58.95 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.153 179.686 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 546' ' ' ILE . . . . . 0.443 ' N ' ' OG ' ' A' ' 545' ' ' SER . 0.1 OUTLIER -47.42 -28.17 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.317 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.0 tpt -72.5 -47.54 47.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.459 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -48.62 -42.5 34.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.312 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 553' ' ' ARG . 55.0 t-20 -66.86 -43.05 84.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.558 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -52.67 -55.48 22.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.404 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 54.2 mt -50.37 -64.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 552' ' ' GLU . 0.3 OUTLIER -55.81 -38.13 69.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.397 179.758 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 549' ' ' ASN . 21.7 ttm-85 . . . . . 0 N--CA 1.466 0.333 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -173.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.788 0.327 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.432 ' O ' ' N ' ' A' ' 564' ' ' ARG . 27.1 t90 -160.88 -67.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.522 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 92.5 t -44.29 -21.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.604 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 564' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 562' ' ' TRP . 34.9 ttt85 -67.39 -75.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -50.79 -37.81 44.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.56 -70.38 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -46.63 -40.07 12.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 568' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 568' ' ' LEU . 1.4 tt -53.47 -62.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -45.27 -70.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.562 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 52.9 tp -45.77 -24.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -82.75 -77.58 1.08 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 14.4 tt -47.95 -22.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.494 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 21.0 tp -43.83 -56.66 3.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.53 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.513 ' CE1' ' ND2' ' A' ' 539' ' ' ASN . 71.9 m-85 -90.14 128.98 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.561 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 50.6 mtt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.621 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.795 0.331 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -51.04 -49.81 59.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.561 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 72.3 t -55.7 -44.41 76.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.461 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -49.72 -33.57 16.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.519 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -74.21 -37.32 63.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.498 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.85 -50.95 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.463 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 43.8 mt -59.14 -35.93 74.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.415 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -60.26 -41.64 93.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.484 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 590' ' ' ALA . 4.8 m -59.22 -57.08 14.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.439 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 61.9 mt -45.9 -34.08 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.364 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 4.1 t -77.91 -34.08 51.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.394 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -52.05 -31.41 29.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.456 ' O ' ' O ' ' A' ' 592' ' ' GLU . 7.6 pt -114.18 141.4 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.523 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' A' ' 591' ' ' ILE . 93.0 mt-10 -49.73 -103.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.656 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 66.7 m80 42.31 75.19 0.65 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.625 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.29 16.83 0.67 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.915 2.41 . . . . 0.0 111.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 28.7 mtt -85.26 -39.85 17.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.626 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 17.3 p -75.2 -3.31 32.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 28.9 t -42.62 -26.74 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.14 -58.04 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.623 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.22 -26.15 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -67.86 -46.34 72.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 64.4 t -68.11 -56.71 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.554 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 602' ' ' LEU . 29.7 mt -47.08 -72.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 85.4 t -53.95 -30.87 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.464 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.71 -39.97 98.15 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 47.1 t -69.26 -68.54 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.332 . . . . 0.0 110.6 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.31 120.0 25.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.623 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.626 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttp . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -89.73 124.92 35.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.61 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 7.1 pt -127.98 144.12 38.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.588 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.436 ' CE1' ' OG1' ' B' ' 14' ' ' THR . 79.0 m-85 -99.54 142.22 31.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.746 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.6 t -126.24 111.92 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.375 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -90.73 125.09 35.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.9 p -84.24 145.91 28.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.455 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 tp -71.57 47.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 45.6 p -147.68 -46.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.0 63.43 0.03 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -170.18 127.62 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.808 0.337 . . . . 0.0 110.582 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -100.74 157.23 16.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.52 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -142.2 132.31 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.436 ' OG1' ' CE1' ' B' ' 4' ' ' PHE . 66.4 m -99.4 129.08 45.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.414 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.9 mt -129.19 133.91 47.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -91.1 96.9 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.43 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.3 m -119.84 -165.49 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.67 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.511 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 31.5 mt-10 -149.04 148.59 27.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.251 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.77 -17.4 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.83 2.353 . . . . 0.0 112.182 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.12 17.27 18.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 1.4 m-20 -93.22 131.33 38.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.488 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.418 ' O ' ' N ' ' B' ' 25' ' ' ASN . 2.4 p -80.23 134.92 36.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.5 mm -41.3 -53.23 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.375 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -49.29 -39.05 29.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.367 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.542 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 8.0 t-20 -63.12 -43.0 99.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.33 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 26.3 t -61.71 -52.06 65.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.197 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -50.31 -40.25 48.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.268 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.99 90.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.261 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.542 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 53.2 mttp -56.31 -39.22 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.274 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.7 mt -66.47 -43.77 90.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.425 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -58.6 -27.98 65.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.522 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -80.6 -28.38 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.574 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -78.49 -58.67 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.562 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -91.47 -102.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.615 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.71 7.72 0.03 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.42 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 37.3 mt -82.54 125.89 75.01 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.608 0.242 . . . . 0.0 110.568 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.92 145.7 36.36 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.734 2.289 . . . . 0.0 111.971 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.509 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.0 -65.55 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.871 2.381 . . . . 0.0 111.999 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' B' ' 38' ' ' PRO . 32.8 t0 -37.21 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.746 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' B' ' 38' ' ' PRO . 76.9 mm-40 -105.44 59.93 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -156.16 159.52 39.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.415 ' NE ' ' O ' ' B' ' 72' ' ' ARG . 23.5 ttm180 -160.36 94.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 mt -79.58 120.3 23.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.662 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.406 HD12 HG21 ' B' ' 70' ' ' VAL . 5.5 mt -120.82 130.51 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.494 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -121.97 117.82 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.538 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.07 26.93 5.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.19 -14.48 65.12 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.454 ' NZ ' ' C ' ' C' ' 75' ' ' GLY . 41.3 mttm -79.87 105.14 10.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 0.0 110.61 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.421 ' OE1' ' O ' ' B' ' 50' ' ' LEU . 0.5 OUTLIER -71.67 120.67 17.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.458 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.472 ' CD2' ' CD2' ' B' ' 59' ' ' TYR . 20.8 mt -81.69 115.18 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.641 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -81.8 157.92 24.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.479 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -70.65 145.14 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.525 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 103.19 -67.38 0.33 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.443 ' HG2' ' H ' ' B' ' 54' ' ' ARG . 3.0 mmt-85 -44.22 170.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.6 p -112.47 163.96 13.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 56.7 mt -61.81 -18.06 58.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.629 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.522 ' C ' ' H ' ' B' ' 59' ' ' TYR . 11.0 t -72.06 -34.99 69.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.606 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.44 ' C ' ' CD1' ' B' ' 59' ' ' TYR . 6.6 m-20 -73.16 28.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.584 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.522 ' H ' ' C ' ' B' ' 57' ' ' SER . 81.4 m-85 -151.79 -4.52 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.525 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 54.1 t30 65.29 23.46 12.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.0 94.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.446 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.28 -159.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.657 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -83.41 160.18 21.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.737 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 58.5 35.35 24.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.736 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.3 m -89.66 134.99 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.478 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -94.16 95.32 8.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.497 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.07 126.19 32.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.62 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -84.78 100.02 11.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.423 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.9 97.89 8.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.406 HG21 HD12 ' B' ' 44' ' ' ILE . 3.4 t -96.39 143.26 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.501 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 17.5 mt -96.98 81.08 3.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.565 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.523 ' NH2' ' O ' ' A' ' 517' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.543 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -104.48 103.17 12.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.9 pt -94.97 158.86 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -120.29 145.15 47.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.776 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 53.5 t -121.79 108.16 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.365 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -89.79 120.64 31.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.583 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 43.1 p -77.78 156.42 30.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.608 ' O ' HD23 ' C' ' 8' ' ' LEU . 0.9 OUTLIER -66.54 -38.71 87.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.515 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 43.3 p -60.32 -68.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.649 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.0 83.09 0.05 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -172.5 165.69 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.506 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 8.2 m -141.35 130.89 23.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -118.49 128.27 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.662 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 7.1 m -101.95 125.5 48.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.423 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -128.96 139.45 52.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.732 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -88.07 94.29 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.398 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -114.37 -179.57 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.801 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.502 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.2 mt-10 -127.14 174.42 4.27 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.204 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.21 -22.11 14.79 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.761 2.308 . . . . 0.0 112.029 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 2.1 p -91.32 -9.51 44.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.53 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 18.9 m-20 -61.64 137.33 58.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.574 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 71.4 p -89.94 142.08 28.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.586 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mm -43.7 -54.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.423 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -45.23 -45.68 11.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 19.4 t-20 -58.93 -45.87 89.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.36 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.61 -53.04 46.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.247 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -50.43 -36.27 32.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.16 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -64.29 -43.41 94.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.397 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -61.57 -37.64 84.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.522 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.3 mt -67.3 -41.3 86.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.439 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.68 -38.65 85.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.57 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -71.58 -23.37 61.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -80.89 -58.31 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -96.8 -86.36 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.58 20.06 0.03 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.532 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 54.4 mt -87.37 116.52 66.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.71 0.29 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -46.88 135.37 17.66 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.654 2.236 . . . . 0.0 111.818 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.7 -61.9 0.53 Allowed 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.684 2.256 . . . . 0.0 112.008 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -39.66 -34.17 0.23 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.765 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -99.75 63.94 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.714 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 74.5 mt-30 -151.9 89.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.639 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -88.5 108.83 19.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.333 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -102.63 131.64 49.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 41.8 mt -129.29 132.23 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.245 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' C' ' 47' ' ' GLY . 50.1 t80 -101.45 70.21 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.755 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 46' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' C' ' 45' ' ' PHE . . . 31.31 35.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.782 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 47' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -160.16 -55.74 0.01 OUTLIER Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 50.7 mttm -155.74 176.85 12.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.643 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -86.59 157.44 19.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.619 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 19.6 mt -100.16 116.64 32.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.515 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -81.79 148.89 28.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.544 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -66.03 147.95 52.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.579 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 53' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 97.88 -61.32 0.97 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.644 ' HE ' ' N ' ' C' ' 54' ' ' ARG . 4.7 mmp_? -45.11 171.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 0.0 110.567 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.509 ' HG1' ' HG ' ' C' ' 57' ' ' SER . 33.9 p -115.84 165.47 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 83.9 mt -69.68 -4.71 20.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.652 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 57' ' ' SER . . . . . 0.509 ' HG ' ' HG1' ' C' ' 55' ' ' THR . 5.4 p -91.89 -16.52 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.54 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.49 -10.46 59.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.57 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -110.87 6.66 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.55 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 60.02 25.46 14.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.625 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.9 mt -73.11 117.37 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.442 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -95.09 -161.25 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -85.26 154.8 21.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 60.92 27.05 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.71 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -92.66 132.46 36.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -82.26 152.35 26.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.597 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mt -139.6 114.68 9.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.586 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -67.6 116.2 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.513 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 38.0 tp -106.05 128.76 54.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.617 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 t -133.03 119.52 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.441 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.577 ' O ' HD12 ' C' ' 71' ' ' LEU . 0.3 OUTLIER -92.85 166.89 12.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -100.51 83.99 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.402 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 73' ' ' LEU . . . . . 0.561 HD12 ' N ' ' C' ' 73' ' ' LEU . 10.1 mp 56.75 170.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.477 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -40.14 156.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.486 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 75' ' ' GLY . . . . . 0.454 ' C ' ' NZ ' ' B' ' 48' ' ' LYS . . . -153.63 -123.9 0.95 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 494' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 496' ' ' ALA . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 25.6 pt -58.09 -4.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 110.602 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.447 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -76.31 -54.01 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.464 ' C ' ' H ' ' A' ' 499' ' ' GLY . 42.8 m-85 -46.51 -35.4 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.526 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -51.81 -10.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -55.14 -60.68 8.38 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 31.2 t -158.86 -108.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.585 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -170.01 76.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.523 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -80.38 -175.45 5.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.625 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -103.75 2.29 32.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.554 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.28 -38.38 20.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.111 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.455 ' H ' HG23 ' A' ' 505' ' ' VAL . 2.7 t -43.11 -59.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.408 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.401 HD21 ' CE1' ' A' ' 534' ' ' PHE . 15.1 mt -73.71 -31.14 63.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.539 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -71.21 5.96 8.21 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.6 tp -136.08 -47.03 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 110.765 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.08 -53.97 17.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.901 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 514' ' ' ALA . 0.7 OUTLIER -48.26 -60.44 4.41 Favored Pre-proline 0 C--N 1.33 -0.273 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.535 -179.795 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.41 -51.74 8.36 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.56 2.173 . . . . 0.0 111.754 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.466 ' O ' HG22 ' A' ' 512' ' ' ILE . 96.7 mt -60.29 -12.8 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.483 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -141.14 30.73 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -155.06 -35.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.724 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 514' ' ' ALA . 87.3 p -30.42 -61.79 0.16 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.655 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 515' ' ' SER . 54.1 m -170.04 -52.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.543 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.435 ' O ' ' O ' ' A' ' 518' ' ' LEU . 57.9 m-20 -144.51 -84.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.473 HD11 ' OG ' ' A' ' 515' ' ' SER . 16.4 mt 59.18 148.23 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.434 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.74 123.08 4.53 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.828 2.352 . . . . 0.0 111.904 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 62.1 mt -72.39 -21.93 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.526 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -58.96 -48.73 80.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.558 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 68.4 p -79.66 -44.57 20.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.604 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -59.68 -10.95 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.553 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.39 -62.23 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 66.7 mtt -62.23 -41.63 98.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -54.85 -57.22 12.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 87.8 p -52.76 -33.92 50.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 528' ' ' LEU . 0.2 OUTLIER -55.03 -62.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.474 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -51.38 -25.36 6.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 530' ' ' LEU . 1.5 tt -64.48 -63.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -57.72 -44.11 85.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.459 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 532' ' ' HIS . . . . . 0.519 ' HD1' ' C ' ' A' ' 532' ' ' HIS . 6.1 t-80 -45.82 -40.95 10.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.488 ' C ' ' H ' ' A' ' 535' ' ' VAL . 90.5 t -78.64 -58.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.557 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 534' ' ' PHE . . . . . 0.401 ' CE1' HD21 ' A' ' 506' ' ' LEU . 29.7 m-85 -72.08 16.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.561 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 536' ' ' GLY . 10.8 p -53.16 -42.72 47.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.547 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.539 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -70.83 -69.86 1.31 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.537 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 2.2 t -64.24 -170.79 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.828 0.347 . . . . 0.0 110.559 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.537 ' N ' ' OG1' ' A' ' 537' ' ' THR . 42.8 t -166.48 157.32 12.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -161.61 141.53 10.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.24 -42.99 93.91 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -42.66 -48.36 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.579 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 38.3 mt -59.9 -43.13 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.523 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 51.9 m -62.53 -49.94 73.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 548' ' ' ASP . 72.2 p -57.74 -43.46 85.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.435 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 24.2 p -63.95 -42.5 97.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.16 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.81 -29.84 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.301 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.4 tpt -70.92 -38.52 72.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.429 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 544' ' ' THR . 5.8 m-20 -63.2 -41.13 99.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.41 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -63.46 -36.24 83.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.581 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 550' ' ' PHE . . . . . 0.537 ' CE1' HD21 ' A' ' 566' ' ' LEU . 3.3 m-85 -60.07 -54.47 45.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.495 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.3 -36.93 82.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.691 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -82.29 29.37 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.569 HH12 ' CG ' ' A' ' 595' ' ' MET . 32.5 ptt180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.539 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.771 0.32 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.408 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 9.4 p-90 -172.84 -19.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.7 p -72.92 -18.46 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.534 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -60.11 -66.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.535 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -63.95 -52.3 60.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.537 HD21 ' CE1' ' A' ' 550' ' ' PHE . 4.3 tp -45.93 -56.43 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -57.96 -53.0 63.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.495 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 25.9 tp -45.32 -54.29 7.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.48 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -46.87 -62.47 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 54.3 tp -50.34 -27.9 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.503 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -76.12 -76.74 0.79 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 572' ' ' ILE . . . . . 0.404 ' C ' ' N ' ' A' ' 574' ' ' TYR . 8.6 tp -43.77 -33.37 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.348 . . . . 0.0 110.566 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.9 tp -44.31 -23.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.404 ' N ' ' C ' ' A' ' 572' ' ' ILE . 75.1 m-85 -125.36 125.82 44.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.2 mtt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.871 0.367 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.59 -55.08 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 89.8 t -53.93 -49.22 60.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.604 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -45.07 -38.23 4.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.587 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -70.35 -43.33 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.584 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 92.3 t -52.95 -58.91 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.497 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 585' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 585' ' ' LEU . 10.7 mp -53.42 -46.87 69.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.473 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -48.64 -28.99 3.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.435 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 14.6 m -76.66 -41.59 45.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.513 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.19 -34.43 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.548 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.1 m -77.02 -33.99 57.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' C' ' 47' ' ' GLY . . . -58.45 -61.4 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.563 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 18.8 tt -80.58 165.4 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -40.46 144.46 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.683 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.502 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 6.9 p-80 -165.73 74.65 1.31 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 -66.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 123.036 2.491 . . . . 0.0 111.94 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.569 ' CG ' HH12 ' A' ' 553' ' ' ARG . 10.6 ptp -83.25 -42.5 17.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.565 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.418 HG23 HH22 ' A' ' 553' ' ' ARG . 66.7 p -49.33 -14.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.548 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 597' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 595' ' ' MET . 94.3 p -55.61 -24.4 33.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.569 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.38 -33.75 76.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.527 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 13.4 mt -77.26 -56.34 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.413 ' O ' ' OE2' ' A' ' 600' ' ' GLU . 3.1 tm-20 -45.71 -40.25 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.632 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 601' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 597' ' ' SER . 70.4 t -70.48 -43.95 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.568 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.01 -74.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.57 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 76.0 t -52.59 -19.9 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.553 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.26 -54.87 32.83 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 68.7 m -72.41 -58.03 3.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.578 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 27.4 p -79.03 121.25 24.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.608 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.411 ' N ' ' O ' ' B' ' 17' ' ' VAL . 22.8 ttp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -93.66 117.85 30.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.698 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.499 HG12 HG22 ' B' ' 17' ' ' VAL . 6.2 pt -126.42 153.64 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.561 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -111.2 154.39 24.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 54.1 t -131.35 103.51 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.193 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -86.3 121.11 28.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.681 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.0 p -89.02 151.37 22.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.352 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.415 HD21 ' CG1' ' A' ' 512' ' ' ILE . 2.6 tp -70.78 50.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.5 p -146.33 -37.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.461 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.96 -12.75 3.62 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -87.19 137.28 32.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.601 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -123.51 124.79 43.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -96.29 173.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.687 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.504 ' C ' HD12 ' B' ' 15' ' ' LEU . 11.5 m -143.94 101.62 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.337 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.504 HD12 ' C ' ' B' ' 14' ' ' THR . 8.6 mp -105.17 137.97 42.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.855 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -94.7 83.04 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.267 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.541 HG21 HD13 ' B' ' 56' ' ' LEU . 10.9 m -99.78 -165.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.536 ' C ' ' H ' ' B' ' 20' ' ' SER . 38.6 mt-10 -145.68 145.22 24.8 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.3 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.68 -7.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.826 2.351 . . . . 0.0 112.277 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.536 ' H ' ' C ' ' B' ' 18' ' ' GLU . 1.4 p -97.74 -39.85 8.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.791 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.419 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 5.9 m-20 -41.23 146.13 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.676 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.514 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.9 p -93.73 145.41 24.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.558 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.7 mm -47.0 -53.33 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.533 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -48.24 -44.63 33.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.442 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -59.2 -40.14 84.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.355 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.14 -47.33 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.272 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -54.92 -35.84 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.347 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.14 -50.38 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.45 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -55.33 -34.61 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.492 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 14.8 mt -70.74 -49.79 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.401 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.582 ' O ' ' NE2' ' B' ' 31' ' ' GLN . 1.4 tm0? -53.97 -26.51 26.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.449 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -81.26 -36.02 30.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -70.96 -58.72 3.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -85.65 -86.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.522 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.402 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 162.26 5.46 0.05 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.402 ' H ' ' H ' ' B' ' 35' ' ' GLY . 37.6 mt -79.42 133.28 60.19 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.7 0.286 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.34 143.0 34.39 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.579 2.186 . . . . 0.0 111.948 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.24 -67.4 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.844 2.363 . . . . 0.0 112.024 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -43.07 -19.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.661 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' B' ' 38' ' ' PRO . 32.0 mm-40 -109.21 57.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.643 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -155.64 163.82 39.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.487 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -159.64 93.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.98 126.83 31.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.57 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mt -130.44 131.79 65.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.508 ' O ' ' HB3' ' B' ' 46' ' ' ALA . 90.9 t80 -139.94 122.87 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.471 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 69.19 48.23 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.33 43.08 51.21 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.465 ' CB ' ' NZ ' ' B' ' 48' ' ' LYS . 4.9 ttpm? -152.69 128.25 10.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.786 0.327 . . . . 0.0 110.571 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.446 ' OE1' ' NH1' ' B' ' 72' ' ' ARG . 49.5 tt0 -77.82 143.53 37.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.7 mt -93.91 126.63 39.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.638 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -84.15 158.23 21.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.6 158.37 29.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.505 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.85 -60.18 4.2 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.436 ' H ' ' HG2' ' B' ' 54' ' ' ARG . 7.4 mmt-85 -47.06 167.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.535 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.514 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 44.7 p -106.92 173.69 6.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.51 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.541 HD13 HG21 ' B' ' 17' ' ' VAL . 61.4 mt -75.96 1.91 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.0 t -95.67 -42.92 8.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.547 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.88 -35.08 22.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.499 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -90.22 -8.27 51.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' B' ' 60' ' ' ASN . 0.8 OUTLIER 68.37 41.61 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.712 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 80.9 mt -80.65 103.2 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.372 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -78.2 -163.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -86.48 160.74 18.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.796 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 60.53 37.34 19.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.816 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -94.73 134.74 36.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.436 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -91.8 86.93 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.431 ' N ' HD12 ' B' ' 67' ' ' LEU . 9.8 mp -69.5 112.13 5.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -75.96 101.13 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.493 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 tp -84.37 94.46 8.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.393 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.57 ' C ' HD12 ' B' ' 71' ' ' LEU . 1.9 t -98.21 149.89 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.57 HD12 ' C ' ' B' ' 70' ' ' VAL . 10.2 mp -111.8 72.39 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.487 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.446 ' NH1' ' OE1' ' B' ' 49' ' ' GLN . 18.8 mtm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.611 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -108.04 114.55 28.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.516 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -106.32 153.68 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.548 ' CE2' ' OG1' ' C' ' 14' ' ' THR . 55.7 m-85 -104.52 144.42 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.665 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.427 HG22 ' HB2' ' C' ' 67' ' ' LEU . 21.5 t -121.9 106.42 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.263 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -90.52 125.78 35.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.67 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 13.9 p -94.35 144.14 25.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.466 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.565 ' O ' HD23 ' C' ' 8' ' ' LEU . 0.8 OUTLIER -53.89 -32.75 54.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.469 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 27.0 p -55.81 -81.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.518 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.7 66.86 0.04 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -173.41 151.9 2.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.773 0.32 . . . . 0.0 110.51 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -121.36 153.78 37.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.476 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -135.11 131.88 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.688 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' THR . . . . . 0.548 ' OG1' ' CE2' ' C' ' 4' ' ' PHE . 3.5 m -100.72 119.52 38.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.407 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -121.82 137.22 54.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.793 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -85.5 111.11 19.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.321 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 m -132.35 169.57 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.751 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.654 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 99.0 mt-10 -125.04 147.9 58.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.404 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.53 -20.22 0.56 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.773 2.315 . . . . 0.0 112.06 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.59 17.59 18.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.669 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.654 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 20.0 m-20 -89.0 131.96 34.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.527 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.5 p -82.96 141.09 32.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.641 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 33.0 mm -45.76 -49.22 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.385 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -52.37 -37.22 55.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.372 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -64.16 -45.3 89.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.301 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.31 -48.39 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.261 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -53.3 -40.71 64.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.292 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.82 -45.02 95.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.357 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -58.0 -41.25 82.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.373 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.2 mt -65.48 -37.31 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.447 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -63.2 -32.74 74.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.415 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -76.18 -27.78 57.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -80.03 -63.04 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -87.58 -99.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.574 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.95 28.25 0.02 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 30.4 mt -97.38 100.11 7.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.701 0.286 . . . . 0.0 110.519 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.94 140.15 7.29 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.734 2.289 . . . . 0.0 111.984 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.544 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.65 -41.39 24.24 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.783 2.322 . . . . 0.0 111.892 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.24 20.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.544 ' H ' ' C ' ' C' ' 38' ' ' PRO . 21.1 mt-30 -151.82 54.7 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.526 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -144.87 155.44 43.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.696 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -146.67 96.05 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.396 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.8 mt -91.98 124.34 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.74 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 37.5 mt -122.23 135.53 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.297 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' PHE . . . . . 0.541 ' O ' ' N ' ' C' ' 47' ' ' GLY . 71.9 t80 -149.15 -80.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.694 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 46' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' C' ' 48' ' ' LYS . . . -63.06 67.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.466 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 47' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 42.86 18.0 0.04 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 48' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' C' ' 46' ' ' ALA . 55.0 mttm -156.79 -177.26 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.903 0.382 . . . . 0.0 110.708 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -91.66 156.79 17.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.589 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.09 115.41 27.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.523 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -66.59 154.88 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.604 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.8 115.59 21.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.6 -57.36 0.69 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.406 ' H ' ' HG2' ' C' ' 54' ' ' ARG . 13.3 mmt85 -51.89 174.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.457 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 30.7 p -115.27 166.59 11.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.613 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.18 -15.53 63.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 6.8 p -79.67 -23.81 42.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.04 -37.89 72.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' C' ' 60' ' ' ASN . 74.4 m-85 -90.33 22.86 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 60' ' ' ASN . . . . . 0.496 ' O ' ' NE2' ' C' ' 62' ' ' GLN . 18.5 p30 42.87 30.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.653 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 60.2 mt -72.51 113.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.437 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.542 ' CD ' ' H ' ' C' ' 62' ' ' GLN . 12.4 mp0 -83.41 -161.89 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.644 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -87.56 157.34 19.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.668 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 58.46 31.0 20.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.818 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 18.2 m -84.91 139.61 31.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.517 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 66' ' ' THR . . . . . 0.46 ' C ' HD12 ' C' ' 67' ' ' LEU . 9.2 m -88.85 122.54 32.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.599 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 67' ' ' LEU . . . . . 0.46 HD12 ' C ' ' C' ' 66' ' ' THR . 9.5 mp -107.91 117.01 33.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.512 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -76.08 98.6 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.474 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 55.0 tp -91.34 136.73 32.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.712 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -145.15 125.84 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.464 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.894 ' H ' HD23 ' C' ' 71' ' ' LEU . 1.3 pt? -110.07 164.94 12.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -59.52 -68.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 76.9 mt -141.09 -170.38 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -49.08 134.24 17.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.634 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.16 162.74 31.62 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 495' ' ' ILE . 95.8 mt -70.67 -11.49 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 0.0 110.546 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -72.85 -74.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.626 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -79.41 21.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.623 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -41.02 -69.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.49 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -107.99 93.54 0.82 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 37.3 t -152.63 -53.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 110.528 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 35.7 tttp 61.08 55.25 3.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.488 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 7.3 t-20 -85.82 -144.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.447 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 503' ' ' ASP . . . . . 0.488 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 6.2 p-10 -124.21 -15.37 6.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 504' ' ' GLU . . . . . 0.449 ' OE2' ' NZ ' ' B' ' 6' ' ' LYS . 16.2 mm-40 -85.86 -19.4 30.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.455 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.434 HG23 ' H ' ' A' ' 505' ' ' VAL . 2.7 t -58.02 -48.91 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.495 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.414 HD22 HD21 ' A' ' 530' ' ' LEU . 5.6 mt -92.14 -19.91 21.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.559 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.464 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -71.24 -12.57 72.52 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.464 HD12 ' C ' ' A' ' 507' ' ' GLY . 7.5 mp -119.32 -39.39 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.584 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 509' ' ' LEU . 97.1 mt -69.52 -61.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.624 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 45.1 tp -42.27 -60.54 2.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.74 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.624 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.87 -57.58 2.21 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.523 2.149 . . . . 0.0 111.747 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 72.7 mt -45.55 -22.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -132.77 31.52 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.505 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.531 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -150.86 -36.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.587 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.531 ' C ' ' O ' ' A' ' 514' ' ' ALA . 5.9 p -28.15 -60.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.681 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.507 ' N ' ' OG ' ' A' ' 515' ' ' SER . 43.8 m -166.92 -85.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.636 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -139.52 56.46 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.37 152.75 95.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.385 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 519' ' ' PRO . . . . . 0.443 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -43.77 128.2 6.71 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.932 2.421 . . . . 0.0 112.079 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 19.5 pt -73.71 15.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 519' ' ' PRO . 41.1 mt-10 -85.48 -48.06 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.568 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 4.5 t -97.64 -20.01 17.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.583 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.22 85.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -53.31 -65.76 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 61.1 mtt -52.5 -49.31 65.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.538 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -46.68 -65.4 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.9 t -44.66 -41.65 6.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.658 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.3 tt -56.27 -62.5 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.07 -36.29 12.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 530' ' ' LEU . 2.0 tt -59.19 -61.34 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -59.74 -38.39 81.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -45.32 -49.89 12.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.544 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.443 ' C ' ' H ' ' A' ' 535' ' ' VAL . 91.4 t -76.58 -58.44 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -77.44 31.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.443 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.4 p -63.37 -27.66 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.566 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -74.09 -83.88 0.32 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 8.0 t -72.5 -168.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.437 ' N ' ' OG1' ' A' ' 537' ' ' THR . 8.3 p -174.74 -172.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.569 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.516 ' ND2' ' OD2' ' A' ' 541' ' ' ASP . 47.9 t30 -162.49 167.86 22.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.56 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.25 -48.99 9.94 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 541' ' ' ASP . . . . . 0.516 ' OD2' ' ND2' ' A' ' 539' ' ' ASN . 5.9 m-20 -45.1 -48.29 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.552 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 88.0 mt -54.26 -38.06 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.6 m -75.88 -56.7 4.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.415 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 77.9 p -43.33 -55.16 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.65 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 545' ' ' SER . . . . . 0.41 ' OG ' ' CD1' ' C' ' 73' ' ' LEU . 12.8 m -58.54 -46.41 86.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -32.68 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.472 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 74.5 mmm -72.59 -36.17 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.45 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 544' ' ' THR . 14.2 m-20 -57.66 -39.83 77.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.307 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -69.19 -44.67 71.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.399 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -44.34 -61.41 1.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.36 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 551' ' ' LEU . 10.8 mp -52.91 -54.29 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.31 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.591 ' O ' ' O ' ' A' ' 553' ' ' ARG . 77.1 mt-10 -71.63 43.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.337 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.591 ' O ' ' O ' ' A' ' 552' ' ' GLU . 17.5 ttm180 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.904 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 561' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 3.2 p30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.862 0.363 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -160.44 -51.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.591 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.3 p -48.38 -19.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.629 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -77.37 -38.82 49.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.545 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -66.57 -51.6 54.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.598 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.0 mp -55.13 -62.93 1.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.505 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -44.17 -48.59 9.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.634 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 13.8 tp -52.8 -71.38 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -45.7 -76.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.552 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 570' ' ' LEU . 53.7 tp -45.01 -21.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.528 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -76.31 -77.17 0.77 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 8.5 mm -67.47 -2.04 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 110.539 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 17.9 tp -41.29 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.555 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -65.26 -171.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.519 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.1 ttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 579' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 582' ' ' ASP . 44.2 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.767 0.318 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -41.21 -51.16 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.519 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 68.8 t -53.43 -37.36 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 579' ' ' GLU . 10.5 t70 -56.91 -46.2 82.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.2 -51.61 67.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.664 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 54.6 t -44.47 -62.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 8.4 mp -47.14 -56.96 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.61 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -40.15 -54.76 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.632 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.49 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 16.1 m -50.85 -61.74 2.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.8 mt -42.61 -47.17 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.549 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 4.4 t -68.16 -35.17 77.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.543 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 587' ' ' THR . . . -46.97 -39.26 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.499 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.424 ' O ' ' O ' ' A' ' 592' ' ' GLU . 4.5 mt -92.92 143.26 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.541 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 591' ' ' ILE . 24.4 mt-10 -60.02 -144.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.602 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.401 ' C ' ' H ' ' A' ' 595' ' ' MET . 15.4 m-70 62.81 79.06 0.27 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.536 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.02 29.66 0.36 Allowed 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.9 2.4 . . . . 0.0 111.95 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.401 ' H ' ' C ' ' A' ' 593' ' ' HIS . 15.8 mmt -86.15 -49.09 8.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.488 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 1.8 t -69.78 -3.81 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 15.5 p -43.1 -26.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.605 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -63.05 -50.06 72.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.595 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.57 -27.65 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.644 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -62.48 -51.75 66.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 82.0 t -61.79 -38.23 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.586 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 34.6 tp -54.08 -74.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.485 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 606' ' ' CYS . 59.8 t -54.18 -38.19 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.531 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -54.7 -51.4 52.83 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 21.1 m -54.83 -49.11 71.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.309 . . . . 0.0 110.528 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 606' ' ' CYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 607' ' ' ALA . 29.1 t -80.55 119.14 22.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.502 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 606' ' ' CYS . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -96.67 102.5 14.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.525 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.405 HG12 HG22 ' B' ' 17' ' ' VAL . 14.3 pt -96.7 151.07 4.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.582 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -105.35 151.78 23.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.537 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 t -130.19 103.12 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.354 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.449 ' NZ ' ' OE2' ' A' ' 504' ' ' GLU . 29.0 ttpt -86.14 126.02 33.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.591 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p -90.44 163.97 14.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.514 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tp -78.98 51.14 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 41.6 p -151.01 -40.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.26 -11.22 2.77 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -82.61 138.24 34.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.797 0.332 . . . . 0.0 110.617 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.4 m -123.13 125.89 46.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.559 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -107.55 149.99 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.638 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -119.24 132.1 55.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.398 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.6 mt -132.14 133.73 44.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -85.43 79.78 9.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.409 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.405 HG22 HG12 ' B' ' 3' ' ' ILE . 4.1 m -97.99 -177.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.541 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 3.1 mt-10 -128.75 175.48 3.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.3 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.72 -24.16 13.73 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.771 2.314 . . . . 0.0 112.034 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -92.45 5.27 51.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.414 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.541 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 15.2 m-20 -75.68 135.42 40.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.581 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 4.0 p -87.09 143.75 27.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.686 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.2 mm -46.97 -53.63 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.368 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -48.29 -37.95 17.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.333 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.482 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 14.0 t-20 -63.46 -47.96 79.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.174 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.1 t -56.82 -52.45 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.16 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -51.91 -32.44 32.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.148 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -66.85 -44.28 81.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.273 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -62.97 -32.69 74.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.362 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 11.6 mt -72.37 -37.57 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.493 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -65.0 -39.24 93.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.46 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -71.12 -29.32 65.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -76.15 -59.86 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.624 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -90.93 -96.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.595 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 170.6 18.68 0.02 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.48 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 57.5 mt -93.64 102.92 8.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.624 0.25 . . . . 0.0 110.482 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.42 142.54 6.47 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.634 2.223 . . . . 0.0 111.867 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' B' ' 39' ' ' ASP . 2.7 Cg_endo -46.16 -66.4 0.15 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.792 2.328 . . . . 0.0 112.01 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' B' ' 38' ' ' PRO . 17.0 m-20 -38.47 -32.8 0.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -96.66 59.78 1.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.621 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 60.0 mt-30 -155.8 163.26 40.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.558 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.463 ' CZ ' ' OE1' ' B' ' 49' ' ' GLN . 7.7 tpt180 -154.41 91.47 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.587 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.87 122.36 28.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.503 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.2 mt -128.44 135.27 62.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.484 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -143.36 133.76 24.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.77 30.74 18.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.532 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.06 37.45 87.41 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -144.92 129.83 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.522 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.463 ' OE1' ' CZ ' ' B' ' 42' ' ' ARG . 38.9 mt-30 -77.91 130.4 36.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 mt -83.92 100.13 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.565 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -62.31 154.17 28.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.607 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -73.21 128.01 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 119.6 -63.27 0.46 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' B' ' 53' ' ' GLY . 13.1 mmt85 -43.58 168.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.478 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 15.8 p -113.38 159.58 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.4 mt -63.25 -4.08 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.491 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.5 t -90.95 -19.63 23.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.55 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.83 -36.47 50.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.572 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -88.35 6.6 36.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.538 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 60.61 18.39 8.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.21 111.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -86.45 -161.4 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.665 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -86.4 160.21 19.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.759 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 58.66 24.84 12.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.821 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -79.95 133.81 36.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.397 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -87.03 99.89 12.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.681 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.468 ' N ' HD12 ' B' ' 67' ' ' LEU . 10.8 mp -83.06 114.27 21.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.451 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -76.97 108.29 9.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.741 ' C ' HD23 ' B' ' 69' ' ' LEU . 5.9 tt -92.48 115.78 28.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.381 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.588 ' N ' HD23 ' B' ' 69' ' ' LEU . 1.0 OUTLIER -119.74 160.89 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' B' ' 72' ' ' ARG . 82.3 mt -97.03 163.23 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 10.7 ttt-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ptt? . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -96.36 111.39 23.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -103.76 148.75 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -103.91 131.44 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.597 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 54.4 t -112.25 112.96 42.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -91.58 129.3 37.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' THR . . . . . 0.44 ' C ' ' H ' ' C' ' 9' ' ' THR . 45.9 p -94.65 145.27 24.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.613 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.73 43.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' THR . . . . . 0.44 ' H ' ' C ' ' C' ' 7' ' ' THR . 31.9 p -143.51 -20.74 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.599 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.66 58.45 0.49 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -163.37 124.22 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -102.15 157.31 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.607 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -143.2 133.29 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.655 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -98.72 128.17 44.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.398 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -131.17 129.07 41.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.708 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -80.32 98.56 7.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.372 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 m -122.71 165.25 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.732 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.616 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 28.5 mt-10 -123.07 147.92 52.98 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.353 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.5 -17.99 0.27 Allowed 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.805 2.337 . . . . 0.0 112.024 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.404 ' N ' ' O ' ' C' ' 18' ' ' GLU . 0.9 OUTLIER -100.66 19.06 17.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.616 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 9.5 m-20 -91.72 132.54 36.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.496 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 22' ' ' THR . . . . . 0.416 ' O ' ' N ' ' C' ' 25' ' ' ASN . 3.0 p -83.2 138.35 33.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.579 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -40.96 -56.04 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.563 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -47.83 -37.83 14.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.385 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' ASN . . . . . 0.471 ' OD1' ' NZ ' ' C' ' 29' ' ' LYS . 19.8 t-20 -64.07 -42.23 97.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.183 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -62.19 -50.93 78.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.152 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' LYS . . . . . 0.421 ' HZ3' ' CB ' ' C' ' 41' ' ' GLN . 60.5 mttm -51.17 -41.23 60.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.252 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.43 98.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.343 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' LYS . . . . . 0.471 ' NZ ' ' OD1' ' C' ' 25' ' ' ASN . 58.5 mttp -58.85 -40.78 85.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.444 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 5.6 mt -65.64 -38.46 82.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.299 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -60.98 -37.14 81.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.22 -27.29 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -77.16 -59.29 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.491 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -95.56 -99.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.613 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' GLY . . . . . 0.4 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . -177.72 10.95 0.03 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 61.4 mt -81.23 125.89 78.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.591 0.234 . . . . 0.0 110.552 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.53 141.99 32.18 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.7 2.267 . . . . 0.0 111.905 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.48 -60.19 0.95 Allowed 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.881 2.387 . . . . 0.0 112.065 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -44.26 -14.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.786 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.537 ' N ' ' O ' ' C' ' 38' ' ' PRO . 11.4 mm100 -119.93 62.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.694 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.421 ' CB ' ' HZ3' ' C' ' 27' ' ' LYS . 58.9 mt-30 -156.87 143.08 18.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.728 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -136.07 102.23 4.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.235 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 mt -95.91 135.56 37.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.775 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.413 HG23 ' O ' ' C' ' 48' ' ' LYS . 13.7 mt -133.56 139.09 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.439 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 45' ' ' PHE . . . . . 0.573 ' O ' ' N ' ' C' ' 47' ' ' GLY . 79.0 t80 -137.75 161.84 35.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 46' ' ' ALA . . . . . 0.438 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . 48.44 -84.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.575 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 47' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -159.4 31.47 0.43 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 48' ' ' LYS . . . . . 0.413 ' O ' HG23 ' C' ' 44' ' ' ILE . 62.6 mttm -152.6 162.47 41.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 110.62 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -92.23 146.19 23.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.494 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.52 131.18 34.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.631 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -91.04 150.11 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.678 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.81 100.69 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.59 -61.38 0.45 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.421 ' H ' ' HG2' ' C' ' 54' ' ' ARG . 23.9 mmt180 -49.66 171.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.441 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 12.0 p -110.21 167.11 10.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.4 -22.4 66.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.639 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 7.1 p -74.62 -12.64 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.582 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -87.16 -2.92 58.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -123.85 12.04 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.587 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 9.7 m120 55.31 27.76 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.605 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -76.74 99.8 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.523 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -76.59 -170.68 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.609 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 63' ' ' LYS . . . . . 0.45 ' NZ ' ' CB ' ' C' ' 63' ' ' LYS . 0.3 OUTLIER -77.54 159.26 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.725 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 56.21 29.46 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.756 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 58.0 m -85.68 137.78 32.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 28.6 m -93.5 109.54 21.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.595 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mp -93.68 165.72 12.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -113.66 103.28 11.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 42.8 tp -96.44 130.75 43.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.448 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.91 134.02 60.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.514 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 mt -82.13 161.56 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.565 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 72' ' ' ARG . . . . . 0.414 ' HD3' HE22 ' C' ' 40' ' ' GLN . 72.1 ttt180 -73.92 -51.16 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 73' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' C' ' 74' ' ' ARG . 16.8 tp -174.51 105.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.506 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 74' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' C' ' 73' ' ' LEU . 38.2 ttm-85 54.98 109.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.59 144.36 45.98 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.742 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 495' ' ' ILE . 72.5 mt -91.09 -6.44 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.66 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.415 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -72.45 -64.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.565 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 498' ' ' ALA . 47.5 p90 -78.31 24.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -38.65 -68.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.45 97.6 1.12 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 36.2 p -171.35 -48.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 110.599 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 51.8 mttp 55.81 77.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.659 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.445 ' C ' ' H ' ' A' ' 504' ' ' GLU . 4.6 m-20 -110.99 143.61 41.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.502 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.28 -1.13 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.512 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 504' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 502' ' ' ASN . 31.3 tt0 -86.32 -47.35 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.431 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 24.6 t -44.09 -58.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.446 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 508' ' ' LEU . 22.0 mt -66.17 -48.11 71.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.54 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' B' ' 68' ' ' HIS . . . -43.27 -16.26 0.03 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 506' ' ' LEU . 36.1 tp -118.45 -42.83 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.97 -44.92 87.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.75 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.543 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 6.9 mt -50.08 -65.9 0.76 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.633 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.7 -55.44 3.57 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.66 2.24 . . . . 0.0 111.836 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 61.3 mt -45.98 -26.17 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.515 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -135.82 31.57 3.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.528 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -151.9 -35.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.771 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 514' ' ' ALA . 10.3 t -27.36 -75.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.693 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 515' ' ' SER . 1.2 m -169.4 -46.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -132.16 -97.57 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.622 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 12.8 mt 61.05 146.79 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.467 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.96 117.48 1.57 Allowed 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.832 2.355 . . . . 0.0 112.016 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 18.5 pt -66.98 -20.12 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.543 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -70.69 -66.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 66.8 p -57.93 -37.83 74.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.79 89.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.584 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -49.01 -37.71 21.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.522 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 15.5 ttt -70.81 -37.37 73.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.565 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.81 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.562 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 24.5 p -55.81 -41.21 73.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.468 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.5 tt -50.42 -66.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -50.36 -37.27 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.479 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.3 tt -55.28 -59.51 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.488 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -64.9 -36.82 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -46.28 -43.75 15.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.546 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.416 ' C ' ' H ' ' A' ' 535' ' ' VAL . 88.8 t -85.26 -46.82 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -75.25 14.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 531' ' ' ALA . 7.1 p -53.72 -21.42 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.73 -102.56 0.31 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 4.4 t -62.86 -169.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.579 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.502 ' N ' ' OG1' ' A' ' 537' ' ' THR . 20.2 p -162.96 177.5 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -161.37 167.36 25.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 540' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 543' ' ' THR . . . -81.15 -49.57 5.51 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -43.0 -35.99 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.484 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.07 -36.64 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.578 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 540' ' ' GLY . 90.2 m -81.47 -57.81 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 543' ' ' THR . 82.1 p -39.56 -41.41 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 2.4 p -73.32 -57.56 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.333 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -30.38 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.462 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 547' ' ' MET . . . . . 0.528 ' SD ' ' CD1' ' C' ' 8' ' ' LEU . 22.3 ttm -72.26 -45.22 61.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.553 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -48.95 -42.29 36.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.382 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -67.81 -46.05 72.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -46.6 -43.21 17.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 48.1 mt -64.88 -64.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.42 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' A' ' 553' ' ' ARG . 8.7 mm-40 -83.34 33.88 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.355 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.508 ' O ' ' O ' ' A' ' 552' ' ' GLU . 30.1 ptt180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.959 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.832 0.348 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.539 ' CE3' ' N ' ' A' ' 563' ' ' VAL . 40.3 p-90 -173.24 -55.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.539 ' N ' ' CE3' ' A' ' 562' ' ' TRP . 11.5 p -42.13 -39.84 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.569 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 564' ' ' ARG . . . . . 0.49 ' N ' HG13 ' A' ' 563' ' ' VAL . 13.6 mmm180 -51.73 -61.76 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 568' ' ' LEU . 95.9 m-85 -49.18 -59.79 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.636 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 566' ' ' LEU . 11.0 mp -43.36 -55.58 4.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.493 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -56.58 -24.97 51.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 568' ' ' LEU . . . . . 0.486 HD23 ' C ' ' A' ' 568' ' ' LEU . 1.7 tt -62.94 -67.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.631 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -60.46 -70.85 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 58.4 tp -41.66 -25.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -77.69 -78.19 0.79 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 14.0 mm -58.24 -9.77 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.596 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 17.6 tp -48.6 -71.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -81.5 -171.81 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 18.4 ttt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.611 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 584' ' ' VAL . 67.5 mt-30 -66.84 -56.8 8.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.464 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 34.9 t -54.06 -27.42 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.436 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.86 -53.66 43.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.451 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.26 -29.01 70.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 584' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 580' ' ' GLN . 78.5 t -64.16 -58.77 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.482 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 19.9 mt -50.03 -39.06 40.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.436 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -58.32 -34.76 70.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.473 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 590' ' ' ALA . 9.3 m -65.24 -56.07 14.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.437 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 8.3 mm -45.03 -39.04 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.37 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 7.6 t -72.41 -33.58 67.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -53.01 -32.14 44.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.476 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.444 ' O ' ' O ' ' A' ' 592' ' ' GLU . 11.5 pt -108.9 161.31 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 591' ' ' ILE . 23.4 mt-10 -59.93 -138.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.578 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 12.4 m80 64.68 74.65 0.4 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.556 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 -23.44 12.92 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.983 2.455 . . . . 0.0 111.941 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 56.6 mtm -63.45 -19.77 65.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 596' ' ' THR . 86.1 m -77.07 -12.76 59.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.662 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 25.6 t -44.79 -37.22 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -46.09 -58.16 3.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.87 -47.3 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -47.43 -51.12 21.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.541 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.81 -52.04 64.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.602 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.8 tp -45.55 -68.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.503 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 41.9 t -56.16 -30.06 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.66 -38.41 94.55 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 31.2 t -65.7 -64.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.742 0.306 . . . . 0.0 110.595 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 48.6 t -88.49 119.78 29.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.529 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -119.78 116.52 26.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.612 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.2 pt -110.61 154.39 12.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -108.94 155.4 20.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.643 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.3 t -133.06 106.65 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.235 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -77.76 128.77 34.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.577 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.52 ' C ' ' H ' ' B' ' 9' ' ' THR . 59.9 p -91.47 172.81 8.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.498 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.43 ' HA ' HD22 ' B' ' 8' ' ' LEU . 0.5 OUTLIER -69.33 12.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.558 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.539 ' O ' ' N ' ' B' ' 11' ' ' LYS . 49.0 p -145.97 173.85 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.409 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.54 68.92 0.02 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' B' ' 9' ' ' THR . 42.4 tttp -159.71 130.76 5.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.613 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.6 m -127.08 130.24 49.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.457 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 mt -102.5 136.04 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.688 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -112.68 125.18 54.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.321 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -127.34 148.48 50.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -91.03 106.64 18.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.204 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 m -127.65 165.16 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.631 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 48.3 mt-10 -124.76 149.9 63.96 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.319 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.65 -19.21 0.43 Allowed 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.86 2.373 . . . . 0.0 112.105 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.33 15.04 25.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.765 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.631 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 8.7 m-20 -87.47 135.06 33.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.482 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.421 ' O ' ' N ' ' B' ' 25' ' ' ASN . 3.2 p -85.87 137.99 32.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.657 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 31.8 mm -43.9 -48.32 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.316 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -53.84 -34.38 59.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.324 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.452 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 20.5 t-20 -67.11 -43.09 83.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.265 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.95 -49.13 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.267 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -54.55 -40.59 68.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.381 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.406 ' O ' ' OD1' ' B' ' 32' ' ' ASP . . . -60.4 -48.32 82.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.341 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.452 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 54.8 mttp -56.3 -40.06 73.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.363 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 12.1 mt -63.36 -44.78 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -57.18 -36.48 70.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.408 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 1.0 OUTLIER -72.38 -21.97 61.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.508 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -83.54 -58.25 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -97.06 -104.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.79 26.28 0.05 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.455 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 40.5 mt -99.06 97.62 5.39 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.613 0.244 . . . . 0.0 110.479 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -44.75 143.28 4.33 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.646 2.231 . . . . 0.0 112.003 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -45.92 -66.75 0.14 Allowed 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.843 2.362 . . . . 0.0 112.127 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' B' ' 38' ' ' PRO . 45.7 m-20 -37.49 -27.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' B' ' 38' ' ' PRO . 63.4 mm-40 -104.27 56.95 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.617 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -155.01 171.83 19.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.697 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.552 ' HE ' ' CG ' ' B' ' 49' ' ' GLN . 5.7 tpt180 -172.65 99.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.421 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -86.31 121.1 28.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.72 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.402 HD13 HG21 ' B' ' 44' ' ' ILE . 22.6 mt -117.73 148.27 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.538 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' B' ' 48' ' ' LYS . 77.4 t80 -151.25 123.67 8.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.558 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.96 39.28 10.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.94 -12.48 23.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' B' ' 45' ' ' PHE . 38.5 mmtm -84.82 105.91 15.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.741 0.305 . . . . 0.0 110.604 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.552 ' CG ' ' HE ' ' B' ' 42' ' ' ARG . 16.8 tt0 -79.85 127.4 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.437 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 mt -81.82 125.91 31.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.629 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -99.53 153.18 19.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.578 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.16 142.22 58.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.626 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 102.72 -69.81 0.32 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' B' ' 53' ' ' GLY . 8.9 mmt85 -42.38 169.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.641 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 44.2 p -115.86 166.46 11.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.562 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 mt -65.18 -20.42 66.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.619 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.6 p -73.29 -33.8 65.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.551 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -62.04 -36.14 80.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.594 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -88.74 8.39 29.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 54.99 24.77 6.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.731 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.2 mt -65.24 126.31 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.321 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -91.89 -172.15 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -87.88 160.71 17.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.711 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.05 31.84 21.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m -83.35 167.62 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.338 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.9 m -121.2 85.51 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.56 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.71 169.74 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.457 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 507' ' ' GLY . 32.5 m80 -126.2 107.26 10.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.446 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 15.7 tp -81.21 107.32 13.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.413 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.433 ' C ' HD12 ' B' ' 71' ' ' LEU . 1.6 t -119.08 146.73 23.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.512 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.9 mp -100.57 73.21 1.61 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.636 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.403 ' N ' ' O ' ' C' ' 17' ' ' VAL . 17.2 ttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.06 101.34 5.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -109.11 152.12 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -107.67 145.97 32.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.629 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 38.4 t -132.05 102.88 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.372 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -78.36 160.87 27.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.66 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' THR . . . . . 0.53 ' C ' ' H ' ' C' ' 9' ' ' THR . 65.2 p -131.27 142.11 50.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.457 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.528 ' CD1' ' SD ' ' A' ' 547' ' ' MET . 0.9 OUTLIER -71.21 36.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.518 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 9' ' ' THR . . . . . 0.53 ' H ' ' C ' ' C' ' 7' ' ' THR . 69.2 p -135.57 -14.86 1.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.3 69.23 0.77 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -174.46 141.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.588 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -123.86 123.01 39.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mt -106.02 133.69 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.759 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -105.78 127.36 53.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.453 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 25.0 mt -127.96 132.1 49.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.747 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -86.98 79.23 8.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.483 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.437 HG21 ' CD1' ' C' ' 56' ' ' LEU . 17.5 m -97.93 -164.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.716 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.442 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.2 mt-10 -139.15 176.94 2.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.252 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -75.21 -26.8 10.25 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.795 2.33 . . . . 0.0 112.079 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.95 9.69 26.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.584 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -81.47 135.14 35.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.516 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 4.7 p -86.74 139.39 30.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.769 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 29.4 mm -43.33 -53.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.343 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -47.03 -40.88 15.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.324 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -62.31 -40.69 97.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.183 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.35 -49.26 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.216 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -53.2 -39.48 63.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.293 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.57 98.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.267 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -61.66 -33.58 74.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.287 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -72.68 -38.23 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.295 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -64.03 -32.53 74.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.65 -38.59 58.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.469 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -69.38 -62.32 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.522 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -86.17 -86.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.29 14.2 0.06 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.484 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 63.3 mt -84.83 120.7 74.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.663 0.268 . . . . 0.0 110.5 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -46.3 136.96 14.7 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.613 2.209 . . . . 0.0 111.877 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.46 -63.27 0.34 Allowed 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.734 2.289 . . . . 0.0 112.012 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -44.24 -32.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.778 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -92.58 54.98 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.718 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 60.4 mt-30 -155.86 93.41 1.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.563 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -87.82 109.44 19.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.439 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 74.3 mt -94.01 131.07 39.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.712 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 6.2 mt -128.94 142.26 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' PHE . . . . . 0.597 ' O ' ' N ' ' C' ' 47' ' ' GLY . 54.3 t80 -135.16 -177.87 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 46' ' ' ALA . . . . . 0.577 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -57.62 72.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.521 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 47' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 167.48 -64.25 0.2 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 48' ' ' LYS . . . . . 0.437 ' CG ' ' H ' ' C' ' 49' ' ' GLN . 6.5 ttmm -174.66 -146.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.616 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.437 ' H ' ' CG ' ' C' ' 48' ' ' LYS . 39.8 mt-30 -89.54 145.01 25.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.428 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -93.57 120.61 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -83.91 158.81 21.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.582 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.47 166.89 17.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 53' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 85.3 -65.16 4.06 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' C' ' 53' ' ' GLY . 1.1 mmt-85 -42.34 168.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 110.621 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 43.4 p -118.33 164.19 15.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.581 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.437 ' CD1' HG21 ' C' ' 17' ' ' VAL . 79.3 mt -66.44 -13.44 60.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.587 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 3.1 t -83.64 -23.75 31.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.33 -39.48 74.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -84.24 4.28 31.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 63.41 24.89 14.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 81.0 mt -71.13 104.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -82.74 -157.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.645 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -85.46 159.59 19.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.622 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 55.64 36.19 26.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.654 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 32.0 m -96.14 138.36 33.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -90.04 125.33 35.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -119.03 112.54 19.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -66.62 147.03 53.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.334 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 69' ' ' LEU . . . . . 0.742 ' C ' HD23 ' C' ' 69' ' ' LEU . 6.2 tt -141.9 120.0 12.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.391 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.628 ' N ' HD23 ' C' ' 69' ' ' LEU . 10.5 t -114.44 144.88 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.648 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' C' ' 73' ' ' LEU . 7.4 mt -93.35 113.64 25.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.576 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -59.53 80.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.486 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 73' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' C' ' 71' ' ' LEU . 0.5 OUTLIER 72.11 89.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.425 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 74' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' C' ' 73' ' ' LEU . 12.8 ptm180 35.57 -154.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.723 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.91 -179.43 42.12 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 495' ' ' ILE . 69.4 mt -64.96 -12.62 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 0.0 110.665 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -68.16 -51.86 41.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.619 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.539 ' C ' ' H ' ' A' ' 499' ' ' GLY . 16.4 m-85 -51.01 -39.84 56.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.627 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -56.04 -2.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.659 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -57.31 -71.4 0.75 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 27.7 t -163.37 37.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt 45.34 87.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -94.13 -174.73 3.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.529 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -99.87 -6.23 27.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.582 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -78.23 -18.09 55.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.026 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 497' ' ' PHE . 2.4 t -60.85 -75.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.43 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.9 mp -65.02 -21.71 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.561 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.502 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -58.44 -34.27 74.56 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.502 HD12 ' C ' ' A' ' 507' ' ' GLY . 9.2 mp -114.94 -34.58 5.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.73 0.3 . . . . 0.0 111.054 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 505' ' ' VAL . 4.0 mm? -65.4 -61.03 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.201 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.58 HD23 ' HE ' ' C' ' 74' ' ' ARG . 17.0 tp -43.39 -62.24 1.48 Allowed Pre-proline 0 C--N 1.33 -0.275 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.862 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.613 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.6 Cg_endo -46.37 -64.86 0.22 Allowed 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.459 2.106 . . . . 0.0 111.724 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.53 ' O ' HG22 ' A' ' 512' ' ' ILE . 79.6 mt -55.05 -5.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.545 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 511' ' ' PRO . . . -107.42 -21.81 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.757 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -167.73 37.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.1 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.613 ' N ' ' O ' ' A' ' 511' ' ' PRO . 21.2 t -49.34 -25.75 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.101 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.572 ' OG1' ' O ' ' A' ' 515' ' ' SER . 1.6 m 168.17 -47.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.278 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 517' ' ' ASP . 36.3 t0 -173.01 26.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.637 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' A' ' 519' ' ' PRO . 29.9 mt -52.18 155.5 3.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.398 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 519' ' ' PRO . . . . . 0.48 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.9 Cg_endo -43.86 178.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.934 2.423 . . . . 0.0 112.132 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' A' ' 521' ' ' GLU . 20.0 mt -105.62 -15.35 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 520' ' ' ILE . 91.5 mt-10 -45.97 -98.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.705 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 522' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 524' ' ' ALA . 19.8 p -62.09 -43.18 99.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.742 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 522' ' ' THR . . . -38.91 -31.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.613 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 524' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 522' ' ' THR . . . -77.35 -51.64 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.574 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 68.5 mtt -59.69 -55.54 33.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -49.57 -50.19 43.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.616 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 73.8 m -46.28 -48.31 18.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 528' ' ' LEU . 0.2 OUTLIER -53.08 -58.01 8.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.483 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.76 -41.59 15.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.667 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 530' ' ' LEU . 1.6 tt -56.21 -62.74 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -51.12 -45.38 61.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -44.49 -44.52 8.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.567 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 78.2 t -72.9 -58.84 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -81.99 32.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 536' ' ' GLY . 13.8 p -64.43 -36.13 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.532 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.416 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -84.91 -64.65 1.53 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 537' ' ' THR . 0.0 OUTLIER -76.28 122.85 25.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 10.2 t -99.62 176.92 5.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.409 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 25.0 m120 -160.68 172.76 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.536 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 540' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 544' ' ' THR . . . -91.17 -52.76 2.31 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -45.92 -60.62 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.639 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 71.5 mt -43.03 -51.2 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.616 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 45.3 m -60.73 -62.03 2.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.582 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 540' ' ' GLY . 81.9 p -41.9 -41.44 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.541 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 13.9 m -71.75 -63.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.263 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -44.7 -29.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.182 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.5 tpt -68.03 -51.57 45.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.285 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.474 ' CG ' ' O ' ' C' ' 72' ' ' ARG . 31.9 m-20 -47.03 -44.08 20.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.216 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -64.42 -37.88 89.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.281 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -57.28 -63.32 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.459 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 553' ' ' ARG . 10.7 mp -43.62 -61.57 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.298 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' A' ' 553' ' ' ARG . 47.9 mm-40 -72.66 37.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.248 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.509 ' H ' ' C ' ' A' ' 551' ' ' LEU . 23.7 ttt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.869 0.366 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.409 ' H ' ' H ' ' A' ' 563' ' ' VAL . 13.5 p-90 -168.76 -11.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.582 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.409 ' H ' ' H ' ' A' ' 562' ' ' TRP . 29.8 t -46.02 -28.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.536 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -62.45 -62.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -52.52 -43.68 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 569' ' ' ALA . 36.6 tp -55.46 -39.9 70.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -65.8 -52.88 47.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.531 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 46.9 mt -53.67 -17.38 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.598 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -80.28 -74.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 78.4 mt -63.93 1.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -97.26 -77.09 1.33 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 75.1 mt -55.3 -25.87 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.752 0.31 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.0 tp -55.91 -75.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -59.8 121.15 11.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.515 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 14.1 ttt . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.533 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.789 0.328 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -66.83 -68.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.492 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 6.1 p -47.44 -27.25 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.412 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.49 -51.87 65.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.403 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.56 -42.33 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.297 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 39.0 t -63.62 -46.06 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.28 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.5 -39.23 86.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.317 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -55.71 -37.29 68.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.277 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 590' ' ' ALA . 6.9 m -64.55 -57.45 9.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.25 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.7 mt -45.69 -35.14 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.227 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 5.1 m -76.89 -34.79 57.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.233 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -50.55 -30.09 12.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.327 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 10.9 pt -106.86 -168.18 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.435 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -75.66 136.51 40.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.614 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 9.5 p80 -144.39 44.22 0.46 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.626 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 594' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.78 -73.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.021 2.481 . . . . 0.0 112.118 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 597' ' ' SER . 6.0 ttm -77.8 -52.14 9.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.688 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 75.7 p -42.83 -18.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.632 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 597' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 595' ' ' MET . 22.4 p -45.04 -25.75 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.52 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.06 -77.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 11.4 tt -47.09 -25.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -62.23 -40.73 97.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 84.3 t -76.51 -18.91 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 12.4 tp -73.74 -63.04 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.484 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.63 -43.51 79.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -55.18 -37.86 65.55 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 42.3 t -77.04 -64.86 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.339 . . . . 0.0 110.524 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.26 122.24 23.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.572 -179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.0 ttp . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -84.94 122.06 28.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.4 pt -123.79 148.5 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.432 ' CE1' HG23 ' B' ' 14' ' ' THR . 71.6 m-85 -102.99 144.62 31.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.621 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.1 t -124.09 108.13 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.357 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -86.86 114.68 23.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.605 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 26.2 p -67.61 -139.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.446 HD22 HG13 ' B' ' 70' ' ' VAL . 2.1 tp -145.62 32.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.529 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 34.1 p -149.38 14.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.462 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.18 72.25 1.25 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -170.83 134.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.64 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.7 m -125.86 108.83 11.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.478 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.6 148.05 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.617 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.484 ' C ' HD12 ' B' ' 15' ' ' LEU . 16.0 m -115.93 105.63 12.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.328 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.531 ' N ' HD12 ' B' ' 15' ' ' LEU . 10.7 mp -104.88 168.38 9.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -124.39 122.37 37.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.083 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.565 HG21 ' CD1' ' B' ' 56' ' ' LEU . 12.1 m -146.56 -163.66 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.916 0.389 . . . . 0.0 110.938 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.558 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 8.2 mt-10 -145.94 145.92 26.72 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.354 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.06 -11.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.913 2.408 . . . . 0.0 112.358 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.471 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -98.5 8.3 45.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.877 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 1.0 OUTLIER -92.5 144.01 25.78 Favored 'General case' 0 N--CA 1.494 1.766 1 N-CA-C 98.828 -4.508 . . . . 0.0 98.828 -164.909 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 25' ' ' ASN . 4.9 p -88.93 132.89 34.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.542 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' B' ' 22' ' ' THR . 25.8 mm -36.65 -57.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -45.63 -44.17 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.406 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.523 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 14.9 t-20 -59.03 -48.13 82.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.272 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 19.0 t -54.72 -54.38 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.12 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -48.95 -35.25 14.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.09 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -63.8 -47.24 81.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.152 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -58.36 -32.89 68.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.115 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.8 mt -69.2 -48.27 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.329 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -55.4 -36.87 66.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.499 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.41 -33.84 71.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.532 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -72.44 -65.38 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.537 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -84.97 -104.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.589 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.58 9.18 0.03 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 66.5 mt -81.19 126.42 76.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.66 0.267 . . . . 0.0 110.428 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.02 143.74 36.81 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.571 2.181 . . . . 0.0 111.987 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -45.94 -65.81 0.17 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.824 2.349 . . . . 0.0 112.009 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 38' ' ' PRO . 10.6 t0 -38.06 -26.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.682 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' B' ' 38' ' ' PRO . 46.8 mm-40 -108.58 61.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -149.88 152.98 35.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -148.95 102.71 3.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.389 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.562 HD12 ' N ' ' B' ' 43' ' ' LEU . 8.8 mp -89.28 113.87 25.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.738 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 95.7 mt -115.4 140.38 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.43 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' B' ' 48' ' ' LYS . 69.2 t80 -150.88 135.26 17.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.75 25.25 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.53 -15.15 52.71 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' B' ' 45' ' ' PHE . 29.2 mttm -90.39 124.65 35.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.679 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -83.13 133.74 35.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.48 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.58 123.37 31.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.592 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -90.64 158.85 16.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.28 158.36 33.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 89.95 -66.3 2.81 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' B' ' 53' ' ' GLY . 12.1 mmt85 -43.71 171.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.515 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.7 p -114.13 167.26 10.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.606 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.565 ' CD1' HG21 ' B' ' 17' ' ' VAL . 85.2 mt -64.78 -18.34 64.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.579 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.486 ' C ' ' H ' ' B' ' 59' ' ' TYR . 8.3 t -74.95 -30.08 61.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.668 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.514 ' O ' ' CD1' ' B' ' 59' ' ' TYR . 1.3 m-20 -74.98 29.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' B' ' 58' ' ' ASP . 82.4 m-85 -156.03 0.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.624 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.423 ' N ' ' OD1' ' B' ' 60' ' ' ASN . 1.5 m-20 63.3 22.27 13.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.716 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.4 mt -67.54 96.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -78.43 -157.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.625 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -86.01 157.62 20.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.707 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 61.97 32.46 17.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.792 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.2 m -88.53 130.21 35.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.433 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 11.6 m -91.07 98.52 11.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.556 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -82.8 120.88 26.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.482 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -76.46 100.27 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.455 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 tp -88.8 106.34 18.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.497 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.446 HG13 HD22 ' B' ' 8' ' ' LEU . 1.8 t -114.95 155.4 16.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.52 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.441 ' N ' HD12 ' B' ' 71' ' ' LEU . 9.7 mp -86.48 111.13 20.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.654 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.475 ' N ' ' O ' ' C' ' 17' ' ' VAL . 30.0 ttp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -89.85 122.67 33.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.615 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 11.5 pt -126.08 154.01 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.474 ' HD1' ' HG1' ' C' ' 14' ' ' THR . 72.7 m-85 -109.86 149.21 30.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.728 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 43.6 t -129.93 105.67 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.276 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -88.0 125.79 34.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.716 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 31.7 p -91.65 142.81 27.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.451 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.487 ' O ' HD23 ' C' ' 8' ' ' LEU . 0.6 OUTLIER -59.0 -12.89 5.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.492 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 62.7 p -80.69 -55.01 5.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.49 70.81 0.02 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -169.61 132.5 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 110.624 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -108.29 106.0 15.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.446 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mt -92.59 136.03 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.62 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' THR . . . . . 0.474 ' HG1' ' HD1' ' C' ' 4' ' ' PHE . 6.8 m -107.27 127.59 53.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.416 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 mt -130.57 136.28 48.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -89.92 105.78 18.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.41 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' C' ' 1' ' ' MET . 14.0 m -125.82 -164.05 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.789 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.446 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.3 mt-10 -140.25 177.35 2.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.247 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 19' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.1 Cg_exo -75.06 -27.05 10.25 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.824 2.35 . . . . 0.0 112.202 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.17 4.98 43.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.663 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.4 134.08 37.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 5.6 p -87.08 143.71 27.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.693 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 24.4 mm -46.61 -46.43 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.35 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -51.56 -43.72 62.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.277 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' ASN . . . . . 0.474 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 9.1 t-20 -60.45 -45.44 93.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.287 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 44.8 t -56.9 -50.73 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.237 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -54.52 -30.42 53.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.286 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -67.57 -50.04 60.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.254 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -57.16 -42.19 80.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.297 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.6 mt -63.09 -41.21 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.43 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -58.92 -38.6 79.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.375 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -68.75 -29.88 68.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.471 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -75.49 -60.98 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.511 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -89.03 -84.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.552 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.2 24.38 0.05 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.467 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 48.7 mt -92.31 108.64 32.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.692 0.282 . . . . 0.0 110.556 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.69 132.85 13.45 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.708 2.272 . . . . 0.0 111.92 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.558 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.46 -38.76 21.58 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.753 2.302 . . . . 0.0 111.925 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.78 14.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.558 ' H ' ' C ' ' C' ' 38' ' ' PRO . 30.6 mt-30 -146.76 56.96 1.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.49 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -147.74 151.68 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -143.11 108.74 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 mt -103.08 128.06 50.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mt -130.7 149.33 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.564 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' PHE . . . . . 0.552 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 56.3 t80 -155.74 -178.58 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.508 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 46' ' ' ALA . . . . . 0.552 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -41.11 -21.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.41 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 47' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -105.67 64.9 0.29 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 48' ' ' LYS . . . . . 0.418 ' HB3' ' H ' ' C' ' 49' ' ' GLN . 24.4 mmtp 42.07 -147.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 110.658 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.418 ' H ' ' HB3' ' C' ' 48' ' ' LYS . 25.6 tt0 -87.91 140.87 29.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.447 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 50' ' ' LEU . . . . . 0.415 ' N ' HD23 ' C' ' 50' ' ' LEU . 8.0 mt -89.26 121.73 31.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.661 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -73.65 159.0 33.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.677 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.68 97.64 9.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.39 -55.13 0.44 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.405 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 12.1 mmt85 -48.39 173.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.777 0.323 . . . . 0.0 110.502 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 11.9 p -113.57 155.83 24.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.461 ' CD1' HG21 ' C' ' 17' ' ' VAL . 81.9 mt -58.6 -14.49 8.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.535 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 13.2 t -78.4 -37.62 43.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.582 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.88 -37.57 74.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -91.2 19.82 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.612 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 60' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' C' ' 60' ' ' ASN . 19.1 p30 42.14 33.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.842 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 60.1 mt -72.54 101.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.458 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -80.82 -167.96 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.735 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -74.69 159.83 31.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 58.94 32.38 22.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.791 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 39.7 m -90.67 126.88 36.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.469 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 6.3 m -90.21 107.57 19.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.609 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 mt -91.63 128.14 37.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.484 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -79.91 107.33 12.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.5 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 61.3 tp -97.62 139.32 33.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.646 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 17.4 t -142.79 136.48 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.476 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.426 HD22 HD13 ' C' ' 36' ' ' ILE . 4.6 mt -86.24 149.22 25.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.66 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 72' ' ' ARG . . . . . 0.474 ' O ' ' CG ' ' A' ' 548' ' ' ASP . 40.2 ttm180 -63.87 -56.78 12.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 73' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' C' ' 73' ' ' LEU . 0.2 OUTLIER -175.84 90.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.499 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 74' ' ' ARG . . . . . 0.58 ' HE ' HD23 ' A' ' 510' ' ' LEU . 53.8 mtt-85 54.65 107.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.523 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.0 142.44 10.84 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 495' ' ' ILE . 66.4 mt -83.86 -13.52 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.721 0.296 . . . . 0.0 110.434 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -70.01 -42.06 73.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.664 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.441 ' C ' ' H ' ' A' ' 499' ' ' GLY . 48.3 m-85 -46.86 -59.92 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -53.9 -9.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.597 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -72.16 -15.79 76.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 46.5 t -146.95 -55.19 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.8 0.334 . . . . 0.0 110.597 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 55.6 tttm 61.08 86.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.523 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.558 ' N ' ' OD1' ' A' ' 502' ' ' ASN . 4.4 p-10 -134.48 -169.88 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -82.5 9.61 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.698 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -89.81 -49.72 6.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.04 0.448 . . . . 0.0 110.103 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.455 ' O ' HD13 ' A' ' 509' ' ' LEU . 50.2 t -48.84 -49.42 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.257 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.1 tp -72.56 -36.57 68.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.502 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -60.1 -9.55 11.61 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.5 mp -120.53 -40.14 2.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 110.714 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 505' ' ' VAL . 7.2 mp -67.93 -66.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.488 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.6 tp -37.37 -62.21 0.62 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.87 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.488 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.12 -55.15 3.9 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.573 2.182 . . . . 0.0 111.721 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 512' ' ' ILE . 73.3 mt -52.23 -14.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.46 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 511' ' ' PRO . . . -132.15 32.68 3.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.519 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -162.46 -33.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.725 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.585 ' C ' HH12 ' B' ' 42' ' ' ARG . 3.8 p -30.03 -79.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.666 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.555 ' OG1' ' NH1' ' B' ' 42' ' ' ARG . 1.9 m -171.06 -71.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.764 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.518 ' C ' HD22 ' A' ' 518' ' ' LEU . 80.8 m-20 -127.32 73.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.789 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.2 mm? -105.0 151.88 39.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.203 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.28 107.3 0.1 OUTLIER 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.773 2.315 . . . . 0.0 111.922 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 26.2 pt -69.71 -6.57 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.692 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -77.85 -46.64 20.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 10.1 m -87.21 -32.83 19.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.625 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -59.4 -38.47 80.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.587 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.75 -53.03 34.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 21.1 mmt -64.16 -42.21 96.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -56.44 -59.67 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.583 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 14.8 m -44.59 -52.45 8.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.495 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 528' ' ' LEU . 0.2 OUTLIER -54.95 -62.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.73 -36.93 12.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.512 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.505 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.8 tt -56.98 -56.69 18.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.525 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.8 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -48.88 -42.94 38.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.609 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.469 ' C ' ' H ' ' A' ' 535' ' ' VAL . 83.5 t -77.66 -56.48 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.544 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -75.76 24.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.472 HG13 ' N ' ' A' ' 536' ' ' GLY . 12.1 p -55.97 -39.45 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.472 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -76.44 -80.72 0.6 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 537' ' ' THR . 0.1 OUTLIER -80.72 127.23 32.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.478 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 4.3 p -126.63 -177.99 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -151.58 164.96 35.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.443 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -76.02 -38.43 35.43 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -46.66 -56.07 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.564 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.2 mt -44.39 -46.33 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.595 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 544' ' ' THR . 41.5 m -67.75 -65.52 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.477 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 543' ' ' THR . 67.3 p -39.01 -44.79 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.549 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 23.0 m -66.92 -53.53 31.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.098 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.07 -31.51 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.126 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.2 mmt -69.51 -44.16 71.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.383 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.454 ' OD1' ' NH2' ' C' ' 42' ' ' ARG . 45.8 m-20 -51.28 -36.09 40.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.222 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -72.63 -45.99 56.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.392 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -47.74 -63.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.427 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 551' ' ' LEU . 10.8 mp -51.55 -40.42 59.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.436 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.567 ' O ' ' O ' ' A' ' 553' ' ' ARG . 0.3 OUTLIER -78.39 -95.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.531 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.567 ' O ' ' O ' ' A' ' 552' ' ' GLU . 18.0 ttm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 561' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 10.3 t0 . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.903 0.383 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -179.7 -14.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.56 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 563' ' ' VAL . 7.2 p -72.11 -10.24 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.624 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -68.8 -71.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.682 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -70.27 -43.47 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.726 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 51.0 tp -50.83 -47.2 60.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.594 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -62.44 -63.92 1.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.668 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 23.8 mt -43.94 -35.86 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.578 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -58.67 -71.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 56.7 tp -42.5 -23.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -77.58 -76.78 0.86 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 16.0 pt -47.46 -19.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.598 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 571' ' ' GLY . 30.0 tp -56.38 -48.0 77.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.445 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -92.06 129.94 37.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.3 ttt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.794 0.331 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -48.06 -59.73 3.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.535 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 98.0 t -56.72 -51.36 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.539 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -44.49 -32.85 1.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.577 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.89 -56.58 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 90.8 t -46.21 -49.87 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 585' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 585' ' ' LEU . 11.0 mp -54.22 -46.73 72.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.468 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -47.99 -33.76 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.388 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 17.9 m -70.21 -50.41 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.412 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 62.7 mt -48.88 -38.52 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.492 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 3.6 m -73.84 -35.3 64.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.5 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.403 ' HB1' ' CG2' ' C' ' 44' ' ' ILE . . . -49.34 -43.84 44.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.435 ' O ' ' O ' ' A' ' 592' ' ' GLU . 7.1 pt -103.45 154.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.57 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 6.5 mp0 -59.36 -124.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.479 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 1.8 m-70 60.83 76.16 0.43 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.76 7.17 2.88 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.022 2.482 . . . . 0.0 111.862 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 20.6 mmt -79.29 -18.69 52.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.504 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 4.1 p -85.49 -3.41 58.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.536 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 8.0 t -45.99 -45.77 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.584 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.32 -40.64 78.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.577 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 599' ' ' ILE . . . . . 0.686 HD12 ' N ' ' A' ' 599' ' ' ILE . 1.7 mp -71.39 -34.4 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -69.44 -49.61 53.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.601 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 82.7 t -53.74 -67.97 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.556 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 48.7 mt -46.96 -73.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.484 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 41.4 t -50.1 -18.24 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -76.93 -63.69 2.25 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 10.5 m -47.64 -68.83 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 110.546 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 90.4 m -80.55 118.29 22.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttp . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -84.85 124.24 31.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.617 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -125.28 150.52 30.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -106.1 138.33 42.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.673 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -116.5 104.14 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.089 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -81.4 130.91 35.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 59.4 p -93.88 154.74 17.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.255 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 tp -71.02 48.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.504 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 73.2 p -150.02 -55.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.548 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.74 -13.33 0.14 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -77.25 152.89 34.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -137.28 107.05 6.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.424 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -90.15 135.92 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -105.37 129.03 53.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.238 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -128.34 133.54 48.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.824 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -89.4 107.67 19.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.185 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.516 HG21 ' CD1' ' B' ' 56' ' ' LEU . 10.5 m -131.5 -163.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.986 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.427 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.3 mt-10 -141.82 176.45 2.4 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.129 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.2 Cg_exo -74.5 -25.41 12.99 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.715 2.276 . . . . 0.0 112.24 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.67 5.15 47.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.676 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.406 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 3.7 m-20 -78.53 139.16 38.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.566 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.9 p -87.06 142.43 27.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.773 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 mm -49.15 -49.37 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.268 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -49.28 -41.31 37.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.265 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.438 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 34.6 t-20 -62.21 -44.75 95.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.164 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.75 -51.24 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.146 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -53.05 -34.07 54.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.095 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -65.17 -42.62 93.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.19 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -63.37 -34.99 78.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.343 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.1 mt -69.41 -40.4 79.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.393 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -62.95 -35.46 80.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.407 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -74.54 -21.89 59.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -83.55 -60.36 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -92.5 -92.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.566 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.3 20.76 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.563 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 57.9 mt -93.51 104.04 11.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.689 0.28 . . . . 0.0 110.522 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.72 142.04 7.81 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.609 2.206 . . . . 0.0 111.832 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.05 -64.83 0.22 Allowed 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.792 2.328 . . . . 0.0 112.156 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.445 ' HB2' HE22 ' B' ' 40' ' ' GLN . 1.4 m-20 -38.57 -36.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.488 ' CD ' ' N ' ' B' ' 40' ' ' GLN . 3.0 mp0 -93.57 59.06 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.727 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.563 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 60.8 mt-30 -157.52 153.22 26.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.644 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.585 HH12 ' C ' ' A' ' 515' ' ' SER . 31.0 ttp180 -143.9 104.1 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.307 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.3 mt -85.14 111.26 19.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.813 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mm -111.68 146.64 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.285 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -151.78 115.07 4.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.426 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.99 22.41 13.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.428 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.31 25.54 43.31 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -124.81 131.8 53.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.634 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -82.72 120.1 25.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.487 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -83.05 88.41 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.369 . . . . 0.0 110.537 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -52.45 158.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.607 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -71.73 173.32 8.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.524 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 77.02 -58.79 3.56 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' B' ' 53' ' ' GLY . 17.6 mmt180 -45.44 173.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 110.569 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 64.5 p -120.14 164.09 16.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.675 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.516 ' CD1' HG21 ' B' ' 17' ' ' VAL . 97.0 mt -62.83 -21.77 66.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.6 t -75.91 -28.26 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.727 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -73.21 8.17 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.422 ' O ' ' CG ' ' B' ' 60' ' ' ASN . 65.5 m-85 -136.84 22.2 3.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' B' ' 59' ' ' TYR . 5.7 p-10 42.09 37.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.737 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.6 mt -84.32 99.36 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.352 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -80.66 -161.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -81.21 161.25 24.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.776 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 55.65 37.9 29.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.895 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 73.8 m -93.37 138.01 32.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.433 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -94.98 102.6 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.671 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -88.88 119.14 29.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -78.15 102.57 7.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.645 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 14.9 tp -87.21 110.14 19.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.525 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.448 ' HB ' ' HE ' ' B' ' 42' ' ' ARG . 2.0 t -111.26 156.86 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.476 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 74.1 mt -88.72 124.98 34.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.473 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.697 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttp . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -83.89 111.81 19.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.683 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 pt -115.21 152.49 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.624 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.417 ' CE1' HG23 ' C' ' 14' ' ' THR . 77.0 m-85 -104.74 150.53 24.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.518 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' C' ' 13' ' ' ILE . 41.1 t -128.74 100.31 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.15 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -84.1 114.08 21.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.631 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 10.6 p -76.34 144.39 40.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 36.4 tp -64.87 -15.29 61.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.522 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 19.9 p -80.62 -61.12 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.09 78.23 0.03 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -173.55 162.95 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 30.1 m -139.01 96.51 3.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.448 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' C' ' 5' ' ' VAL . 0.0 OUTLIER -83.78 135.49 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 -179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 14' ' ' THR . . . . . 0.481 ' C ' HD12 ' C' ' 15' ' ' LEU . 8.6 m -106.54 98.6 8.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.151 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.541 HD12 ' N ' ' C' ' 15' ' ' LEU . 10.4 mp -101.69 133.62 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.042 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -90.77 113.93 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.053 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.427 HG21 ' CD1' ' C' ' 56' ' ' LEU . 4.6 m -136.97 -162.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.109 0.48 . . . . 0.0 110.971 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.535 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 22.4 mt-10 -146.47 148.54 34.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.085 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.16 -49.06 8.99 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.858 2.372 . . . . 0.0 112.462 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.433 ' O ' ' C ' ' C' ' 21' ' ' ASP . 0.7 OUTLIER -57.8 -40.55 80.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.171 -179.641 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 25.3 m-20 -36.8 145.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.892 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 22' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 41.5 p -93.71 147.83 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 37.2 mm -50.92 -42.63 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.502 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -54.37 -46.99 73.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.433 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -60.09 -37.46 80.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.407 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.7 t -63.21 -52.14 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.325 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' LYS . . . . . 0.451 ' HZ2' ' HG ' ' C' ' 43' ' ' LEU . 30.2 mttp -51.59 -42.12 61.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.089 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.34 -46.82 87.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.236 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -55.5 -46.46 76.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.263 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 15.5 mt -58.03 -46.42 87.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.367 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -55.92 -30.54 61.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.358 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -71.07 -42.69 69.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.472 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -67.5 -54.03 23.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.37 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -97.06 -106.13 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.505 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . 176.55 13.85 0.02 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.584 HD13 HD22 ' C' ' 71' ' ' LEU . 42.0 mt -76.41 114.41 37.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.659 0.266 . . . . 0.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -46.2 134.86 15.3 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.571 2.181 . . . . 0.0 111.883 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.507 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.25 -42.68 21.86 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.76 2.307 . . . . 0.0 112.017 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -73.24 26.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.701 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' C' ' 38' ' ' PRO . 62.5 mt-30 -154.18 52.42 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.527 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 65.3 mt-30 -150.09 95.72 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.833 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 42' ' ' ARG . . . . . 0.454 ' NH2' ' OD1' ' A' ' 548' ' ' ASP . 56.1 mtm180 -89.56 102.92 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.234 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' HZ2' ' C' ' 27' ' ' LYS . 3.5 mt -89.88 129.45 36.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.988 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.403 ' CG2' ' HB1' ' A' ' 590' ' ' ALA . 87.8 mt -127.49 132.72 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.133 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 45' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 71.3 t80 -139.85 167.55 21.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.788 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 46' ' ' ALA . . . . . 0.603 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -40.55 89.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.57 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 47' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 149.11 -62.02 0.42 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 48' ' ' LYS . . . . . 0.596 ' CD ' ' H ' ' C' ' 49' ' ' GLN . 6.1 tmtp? 178.28 -151.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.616 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.596 ' H ' ' CD ' ' C' ' 48' ' ' LYS . 7.2 tt0 -93.72 144.49 25.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.476 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -89.09 131.28 35.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.661 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' C' ' 51' ' ' GLU . 5.5 mp0 -101.87 158.27 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.542 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 52' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -64.69 164.28 12.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.611 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 53' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 80.09 -64.15 3.99 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' C' ' 53' ' ' GLY . 16.3 mmt180 -42.81 168.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.573 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 82.6 p -115.64 161.85 18.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.427 ' CD1' HG21 ' C' ' 17' ' ' VAL . 85.3 mt -62.37 -7.62 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 89.7 p -85.83 -41.34 15.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.673 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.48 -10.86 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.768 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -112.67 -3.67 14.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.614 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 60' ' ' ASN . . . . . 0.405 ' C ' HE21 ' C' ' 62' ' ' GLN . 6.2 m120 64.94 21.33 12.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.771 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.16 109.9 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.395 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.405 HE21 ' C ' ' C' ' 60' ' ' ASN . 49.7 mm-40 -86.01 -160.01 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -84.32 158.23 21.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 56.73 34.58 24.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 26.1 m -90.89 135.77 33.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.512 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -89.0 110.24 20.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.636 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mp -95.17 111.51 23.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.472 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -72.35 103.37 3.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.44 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 10.8 tp -91.81 116.94 29.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.575 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 67.9 t -108.64 131.33 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.441 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.584 HD22 HD13 ' C' ' 36' ' ' ILE . 6.1 mt -84.79 151.56 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.686 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -90.42 75.07 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.401 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 30.4 tp 55.08 92.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.425 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 55.09 176.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.523 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.09 -162.24 29.65 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 495' ' ' ILE . 65.7 mt -73.48 -8.85 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -79.28 -77.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -86.85 25.57 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.683 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -40.97 -74.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.586 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -112.82 86.23 0.42 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 72.5 m -164.82 -41.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.692 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp 59.39 83.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -86.64 -100.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.655 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -172.23 -32.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -71.13 -15.81 62.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.024 0.44 . . . . 0.0 110.162 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 505' ' ' VAL . 0.9 OUTLIER -55.32 -68.01 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.241 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.525 ' CD2' HD22 ' A' ' 530' ' ' LEU . 6.1 mt -70.69 -20.11 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.421 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.404 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -64.66 -20.1 65.71 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 507' ' ' GLY . 6.7 mp -118.82 -39.54 2.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 0.0 110.761 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.469 ' CD2' HD21 ' A' ' 530' ' ' LEU . 9.6 mp -68.83 -61.75 1.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.119 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 0.9 OUTLIER -42.6 -60.31 2.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.754 -179.614 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.64 -53.35 6.22 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.497 2.131 . . . . 0.0 111.669 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.401 ' O ' HG22 ' A' ' 512' ' ' ILE . 75.9 mt -54.6 -15.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.317 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -138.06 27.08 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -145.79 -36.06 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.726 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.453 ' O ' ' OG1' ' A' ' 516' ' ' THR . 16.9 t -36.97 -62.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.605 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 515' ' ' SER . 94.9 m -168.72 -59.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.455 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' A' ' 518' ' ' LEU . 15.3 t70 -131.18 -75.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.598 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.2 mm? 56.1 149.53 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.514 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.06 118.79 2.13 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.772 2.314 . . . . 0.0 111.937 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 20.3 pt -72.77 -13.42 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.662 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -77.58 -25.6 50.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 7.4 m -98.75 -22.54 15.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.522 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -73.2 -53.74 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.523 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -44.11 -53.89 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.601 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 40.2 mtt -60.03 -53.64 55.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.59 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 526' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 529' ' ' ALA . . . -47.13 -52.26 15.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.578 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.5 t -47.26 -54.62 10.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.586 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' A' ' 531' ' ' ALA . 5.9 tp -46.84 -43.25 18.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 529' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 526' ' ' ALA . . . -54.54 -43.51 72.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.593 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.525 HD22 ' CD2' ' A' ' 506' ' ' LEU . 55.2 mt -61.56 -29.65 70.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 528' ' ' LEU . . . -65.05 -68.35 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.59 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -45.38 -33.76 2.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.6 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.517 ' C ' ' H ' ' A' ' 535' ' ' VAL . 93.8 t -79.59 -73.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -72.3 30.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.666 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.534 HG13 ' N ' ' A' ' 536' ' ' GLY . 10.5 p -49.86 -43.69 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.497 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.534 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -91.51 -67.09 1.15 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 28.8 m -53.38 117.58 3.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 47.3 t -109.62 145.25 36.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -147.95 136.92 22.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -61.85 -44.88 97.26 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -45.28 -49.26 12.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.608 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.3 mt -55.97 -43.72 75.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 8.8 m -64.83 -60.0 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.612 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 74.7 p -45.17 -53.61 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.51 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 31.2 m -55.6 -47.28 76.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.979 0.418 . . . . 0.0 110.131 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 546' ' ' ILE . . . . . 0.432 ' CG2' HD21 ' A' ' 570' ' ' LEU . 0.3 OUTLIER -63.41 -28.62 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.293 179.737 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.3 tpt -74.74 -41.53 59.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.418 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -53.85 -52.0 61.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.359 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -61.51 -30.86 70.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.248 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 550' ' ' PHE . . . . . 0.627 ' CE1' ' NH2' ' A' ' 553' ' ' ARG . 19.3 t80 -69.44 -25.76 64.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.364 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 37.1 tp -90.7 -44.18 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.527 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.63 -4.96 7.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.627 ' NH2' ' CE1' ' A' ' 550' ' ' PHE . 29.8 ttm180 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.44 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.817 0.341 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -174.92 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.602 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 563' ' ' VAL . 7.4 p -66.46 -12.1 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.534 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -75.97 -77.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.578 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -52.07 -31.28 29.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.547 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 550' ' ' PHE . 55.4 tp -61.93 -48.85 78.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.93 -62.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.581 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 568' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 568' ' ' LEU . 10.3 mp -42.58 -47.69 5.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.475 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.476 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -49.49 -64.16 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.53 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.432 HD21 ' CG2' ' A' ' 546' ' ' ILE . 60.8 mt -57.0 -5.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.476 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -90.33 -71.58 1.24 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 11.9 pt -64.98 -4.81 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 tp -61.18 -58.75 7.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.515 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -80.55 125.3 29.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.566 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 575' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 575' ' ' MET . 1.6 tmt? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.854 0.359 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -45.43 -42.77 10.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.9 -49.7 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.591 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -48.19 -38.09 17.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.72 -36.13 75.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.45 -52.87 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 47.0 mt -55.69 -35.16 65.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.89 -38.59 91.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.524 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 7.1 m -68.73 -54.87 13.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 99.5 mt -44.26 -45.69 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.522 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.1 m -60.99 -38.32 85.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.496 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -55.81 -28.89 58.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.406 ' N ' HD13 ' A' ' 591' ' ' ILE . 6.8 mm -86.61 155.37 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.591 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -73.18 -146.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 6.7 m170 44.78 75.61 0.63 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.4 18.32 0.59 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.941 2.428 . . . . 0.0 111.962 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 20.4 ttt -77.85 -20.82 52.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 599' ' ' ILE . 5.8 t -71.05 -2.93 17.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 65.3 p -40.53 -29.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.603 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.16 98.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 599' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 596' ' ' THR . 55.4 mt -77.31 -27.25 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.554 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.05 -40.4 96.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.71 -33.79 27.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.446 ' C ' HD13 ' A' ' 602' ' ' LEU . 0.2 OUTLIER -62.61 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 13.1 t -65.12 -18.88 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.562 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -67.67 -72.32 0.81 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 51.0 p -48.48 -53.45 17.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.337 . . . . 0.0 110.588 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 8.1 m -80.7 123.68 28.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.63 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttp . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -75.93 105.73 7.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.581 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.2 pt -109.74 150.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -105.2 143.67 33.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.666 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -127.38 103.21 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.364 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -75.19 139.55 42.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.702 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -106.57 152.66 23.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.375 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.51 64.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -165.82 -51.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.514 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.94 -6.21 0.43 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -88.44 156.64 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.614 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.8 m -136.98 118.22 14.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.515 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 mt -96.6 128.41 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -104.2 117.21 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.351 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.579 ' CD2' ' NZ ' ' B' ' 33' ' ' LYS . 15.0 mt -118.41 136.03 54.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -88.08 102.35 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.303 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' B' ' 56' ' ' LEU . 10.7 m -121.84 -165.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.71 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.616 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 23.8 mt-10 -147.61 150.24 36.19 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.335 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.41 -28.72 4.16 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.893 2.396 . . . . 0.0 112.347 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.62 15.41 6.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.904 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.616 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 1.4 m-20 -92.91 134.75 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.486 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.454 ' OG1' ' CG ' ' B' ' 24' ' ' GLU . 25.8 p -82.67 147.27 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.765 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 24.2 mm -54.26 -41.34 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.158 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.454 ' CG ' ' OG1' ' B' ' 22' ' ' THR . 9.6 pt-20 -55.65 -41.4 73.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.17 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.482 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 26.9 t-20 -62.8 -47.02 85.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.237 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.78 -53.52 36.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.295 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -50.76 -36.24 35.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.083 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -61.96 -47.33 85.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.123 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.446 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 51.6 mttp -57.59 -43.19 84.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.202 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 13.8 mt -59.52 -45.8 93.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.294 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -56.8 -35.66 69.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.308 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 4.7 m-20 -65.06 -44.28 89.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.44 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.579 ' NZ ' ' CD2' ' B' ' 15' ' ' LEU . 1.2 mptm? -67.16 -63.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.41 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -86.16 -117.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.565 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -171.27 18.79 0.06 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.479 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 54.6 mt -88.29 108.63 23.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.642 0.258 . . . . 0.0 110.566 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.479 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.86 140.74 9.53 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.705 2.27 . . . . 0.0 111.934 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.42 -43.86 21.41 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.749 2.299 . . . . 0.0 112.084 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.457 ' CB ' HE22 ' B' ' 40' ' ' GLN . 2.1 m-20 -60.64 -32.5 71.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' B' ' 40' ' ' GLN . 1.9 mp0 -92.31 52.92 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -144.81 161.6 38.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.631 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.495 ' NE ' ' OE1' ' B' ' 49' ' ' GLN . 70.1 ttt180 -157.24 92.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.529 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.89 117.54 17.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.611 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -111.22 146.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -160.72 129.95 4.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.63 38.92 29.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.51 38.62 96.1 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -145.82 129.25 16.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.592 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.495 ' OE1' ' NE ' ' B' ' 42' ' ' ARG . 35.9 tt0 -80.77 129.87 34.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.8 113.1 21.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.558 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -72.44 158.98 34.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.562 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.0 163.01 28.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.462 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 87.1 -64.21 3.9 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' B' ' 53' ' ' GLY . 20.1 mmt180 -42.52 168.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 110.526 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.9 p -113.21 168.37 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.442 ' CD1' HG21 ' B' ' 17' ' ' VAL . 60.8 mt -68.92 -17.37 63.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.522 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 92.8 p -77.64 -24.57 49.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.541 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' B' ' 58' ' ' ASP . 2.2 m-20 -78.18 15.41 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.62 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -140.92 3.08 1.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.498 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 65.65 15.97 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.776 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.46 98.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.444 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -79.68 -157.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.703 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -86.29 162.7 18.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.714 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 58.57 18.01 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.734 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -66.46 166.59 12.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.364 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 39.1 m -128.38 98.31 5.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.559 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.09 122.54 29.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -82.81 97.58 8.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 5.1 tp -73.91 127.58 33.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.491 ' C ' HD22 ' B' ' 71' ' ' LEU . 2.8 t -132.73 160.95 42.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.634 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.491 HD22 ' C ' ' B' ' 70' ' ' VAL . 4.2 mm? -103.86 125.15 50.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.614 -179.923 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.482 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -97.23 112.39 24.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.603 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.6 pt -108.21 157.56 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.792 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -114.66 137.31 52.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.585 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 83.9 t -113.22 107.89 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.415 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -92.32 125.83 37.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.67 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -89.37 142.01 28.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.412 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.533 ' O ' HD23 ' C' ' 8' ' ' LEU . 1.0 OUTLIER -49.91 -48.83 51.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.484 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 57.8 p -51.2 -69.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.42 80.38 0.03 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -172.62 122.2 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 110.565 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 10.2 m -102.65 137.08 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.59 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -124.97 128.48 73.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.616 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 6.5 m -92.75 116.39 28.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.315 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -126.5 134.23 50.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.769 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -84.99 120.55 26.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.4 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.2 m -138.17 -176.43 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.704 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.555 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.9 mm-40 -132.79 176.75 2.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.244 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 19' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -75.06 -26.18 11.06 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.783 2.322 . . . . 0.0 111.928 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -89.62 1.4 56.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.555 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 9.1 m-20 -70.79 133.03 46.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.514 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.4 p -87.05 143.24 27.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.666 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -46.64 -53.91 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.375 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -48.58 -35.42 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.326 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -66.1 -42.26 89.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.261 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.44 -51.4 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.332 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -52.02 -38.87 58.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.236 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.56 94.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.3 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.44 -38.38 77.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.402 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 7.5 mt -68.92 -36.48 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.388 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.437 ' OE1' ' O ' ' C' ' 36' ' ' ILE . 44.6 tp60 -63.45 -32.82 74.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.463 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.76 -36.29 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.568 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -72.57 -66.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -82.88 -99.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.25 19.04 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.565 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 73.1 mt -88.78 118.08 68.95 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.651 0.262 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.9 135.14 14.09 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.606 2.204 . . . . 0.0 111.957 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.18 -50.63 9.74 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.788 2.325 . . . . 0.0 111.942 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -53.64 -37.63 63.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -88.81 54.25 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.668 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.565 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 62.7 mt-30 -153.94 100.24 2.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.673 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -98.2 101.74 13.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.427 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.3 130.25 34.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.59 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mt -133.21 145.16 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' PHE . . . . . 0.553 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 55.9 t80 -129.53 176.14 8.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 46' ' ' ALA . . . . . 0.553 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -39.94 -24.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 47' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -86.24 -91.03 0.92 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -146.98 -146.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.341 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -90.31 141.41 28.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.497 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mt -90.1 111.78 23.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.543 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -73.1 157.75 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 52' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -74.1 115.62 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.477 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 53' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 131.02 -61.69 0.66 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.7 mmt180 -44.36 171.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.496 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.507 ' HG1' ' HG ' ' C' ' 57' ' ' SER . 3.1 p -112.99 166.39 11.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.584 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' C' ' 56' ' ' LEU . 89.2 mt -67.71 -18.71 65.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.59 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 57' ' ' SER . . . . . 0.507 ' HG ' ' HG1' ' C' ' 55' ' ' THR . 29.1 p -83.81 -6.39 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.612 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -88.81 -5.93 57.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -123.51 15.77 9.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.52 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 27.7 m120 58.61 15.61 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.88 91.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.434 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -73.41 -161.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.742 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -82.59 159.58 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.749 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 57.69 32.68 22.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 30.3 m -88.01 133.28 33.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 20.1 m -94.39 101.75 13.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -83.29 171.24 13.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.607 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -125.77 108.67 11.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.364 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 69' ' ' LEU . . . . . 0.748 ' C ' HD23 ' C' ' 69' ' ' LEU . 6.3 tt -92.85 124.28 36.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.542 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.695 ' N ' HD23 ' C' ' 69' ' ' LEU . 67.6 t -122.69 104.45 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.469 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.627 ' O ' HD12 ' C' ' 71' ' ' LEU . 0.3 OUTLIER -78.89 155.24 29.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -68.33 -24.57 64.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 177.65 177.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -47.49 120.08 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.53 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.35 162.46 0.97 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 495' ' ' ILE . 71.4 mt -84.78 -11.48 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.749 0.309 . . . . 0.0 110.568 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -70.87 -43.72 67.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.49 ' C ' ' H ' ' A' ' 499' ' ' GLY . 55.4 m-85 -48.48 -48.81 37.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -50.4 -10.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.582 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -82.02 -28.61 40.85 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 80.2 p -174.55 99.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 110.568 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -72.61 53.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.492 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 6.4 t-20 -66.68 -172.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 503' ' ' ASP . . . . . 0.492 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 12.8 m-20 -84.12 14.18 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.552 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -86.42 -35.97 19.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.287 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.463 HG23 ' H ' ' A' ' 505' ' ' VAL . 2.4 t -50.92 -69.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.398 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.524 ' HB3' HD23 ' A' ' 510' ' ' LEU . 9.4 mt -67.09 -42.32 84.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.59 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -41.09 -25.93 0.15 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 506' ' ' LEU . 43.1 mt -114.32 -40.2 3.7 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.031 -0.267 . . . . 0.0 110.995 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 510' ' ' LEU . 5.6 mp -63.28 -57.07 11.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.754 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.64 ' O ' ' N ' ' A' ' 514' ' ' ALA . 1.2 mm? -39.97 -67.32 0.29 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.579 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.93 -57.74 2.03 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.739 2.292 . . . . 0.0 111.951 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 512' ' ' ILE . 84.3 mt -57.18 -11.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.741 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -147.27 34.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.704 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.64 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -159.96 -36.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.673 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.494 ' O ' ' OG1' ' A' ' 516' ' ' THR . 2.7 t -35.91 -55.06 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.472 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' A' ' 515' ' ' SER . 7.0 m -170.19 -63.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.441 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' A' ' 518' ' ' LEU . 74.9 m-20 -132.27 -69.21 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.451 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.597 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.3 mm? 56.25 150.96 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.48 107.31 0.1 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.762 2.308 . . . . 0.0 112.0 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 13.3 pt -65.88 -15.53 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -66.84 -80.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.528 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 31.0 p -51.98 -45.92 64.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.52 -41.56 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -48.04 -52.99 17.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 28.6 mtt -64.36 -41.9 96.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.613 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.66 -44.74 66.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.517 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 16.5 m -63.96 -31.55 72.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.577 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.0 OUTLIER -59.29 -42.79 92.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.521 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.8 64.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.448 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.2 tt -47.59 -49.07 27.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.527 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -73.67 -53.18 10.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.509 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -46.32 -30.03 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.526 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.5 t -88.87 -48.66 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.572 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -75.56 18.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.451 ' H ' ' C ' ' A' ' 533' ' ' VAL . 13.4 p -53.79 -30.42 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.544 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -94.24 -61.47 1.08 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 70.0 p -57.7 -168.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.6 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 41.3 t -168.6 143.57 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -160.78 138.67 9.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.564 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.87 -36.33 42.29 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -45.82 -44.65 14.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.521 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 95.7 mt -57.22 -61.49 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.539 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 8.2 m -44.77 -53.13 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.503 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.408 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 47.2 p -56.62 -39.85 74.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.418 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 545' ' ' SER . . . . . 0.506 ' OG ' HD11 ' A' ' 510' ' ' LEU . 7.0 m -63.17 -50.39 70.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 0.0 110.02 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -31.35 52.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.222 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.38 -46.45 60.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.455 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 544' ' ' THR . 63.0 m-20 -52.36 -36.37 53.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -74.05 -40.55 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.598 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 550' ' ' PHE . . . . . 0.56 ' CE1' HD21 ' A' ' 566' ' ' LEU . 3.0 m-85 -53.11 -62.46 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.539 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' A' ' 551' ' ' LEU . 31.3 mt -57.57 -59.98 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 553' ' ' ARG . 86.2 mt-10 -48.75 -80.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 552' ' ' GLU . 28.0 ttp180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.852 0.358 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -172.02 -39.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.587 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 563' ' ' VAL . 7.3 p -63.73 -14.18 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -67.37 -77.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.63 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -56.83 -49.34 75.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.56 HD21 ' CE1' ' A' ' 550' ' ' PHE . 10.3 tp -47.61 -49.25 27.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -58.17 -61.74 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.586 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 568' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 571' ' ' GLY . 83.7 mt -42.01 -56.8 2.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -41.13 -68.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.61 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 47.9 tp -46.07 -23.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.505 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 573' ' ' LEU . . . -82.23 -77.55 1.05 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.3 pt -53.54 -8.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 110.601 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.447 ' H ' ' C ' ' A' ' 571' ' ' GLY . 19.8 tp -49.97 -58.76 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.485 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -84.42 -175.96 6.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.615 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 24.1 ttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.835 0.35 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 581' ' ' VAL . 12.6 pt20 -48.15 -42.12 28.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' A' ' 580' ' ' GLN . 87.4 t -60.88 -43.46 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.13 -43.47 61.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.26 -55.11 23.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 95.9 t -42.56 -59.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 10.0 mp -48.24 -39.99 23.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.404 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -54.3 -40.6 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.318 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 590' ' ' ALA . 4.1 m -61.8 -59.91 4.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.386 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 89.8 mt -43.82 -31.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.328 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 7.8 t -88.89 -31.3 18.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.393 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -47.09 -39.19 12.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.436 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 4.4 pt -84.64 123.47 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.463 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.434 ' N ' ' CD ' ' A' ' 592' ' ' GLU . 12.1 mp0 -54.19 164.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.46 ' O ' ' SD ' ' A' ' 595' ' ' MET . 2.7 m-70 53.0 72.81 1.06 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.534 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.86 96.56 1.06 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.979 2.453 . . . . 0.0 111.861 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.46 ' SD ' ' O ' ' A' ' 593' ' ' HIS . 0.0 OUTLIER -76.91 -24.58 52.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 599' ' ' ILE . 26.9 p -85.7 2.18 46.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.534 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 597' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 596' ' ' THR . 31.7 t -33.78 -40.41 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.698 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -52.3 -50.15 62.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 599' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 599' ' ' ILE . 1.8 mp -70.1 -36.2 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.413 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -51.31 -43.75 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.468 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 55.4 t -71.84 -38.3 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 14.9 tp -57.04 -73.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 62.5 t -47.37 -52.84 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -45.79 -50.4 11.57 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 24.1 p -51.96 -32.24 32.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.468 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 55.4 m -85.31 -170.58 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 29.2 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -101.47 111.38 23.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.678 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 pt -112.89 153.46 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.6 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -109.6 157.03 19.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 74.4 t -132.55 107.22 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -88.61 123.08 32.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.486 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 44.1 p -72.78 -140.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -134.43 38.82 3.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 40.8 p -147.44 -26.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.76 -4.25 3.58 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -85.47 143.3 28.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.806 0.336 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -134.61 137.91 44.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -110.42 173.58 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.499 ' C ' HD12 ' B' ' 15' ' ' LEU . 16.8 m -142.5 97.3 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.425 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.537 ' N ' HD12 ' B' ' 15' ' ' LEU . 10.5 mp -102.97 144.08 31.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -97.18 123.48 40.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.305 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' B' ' 56' ' ' LEU . 6.0 m -145.96 -164.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.817 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.571 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 4.6 mt-10 -146.03 147.74 33.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.307 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.28 -16.98 0.17 Allowed 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.826 2.351 . . . . 0.0 112.261 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.417 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -88.08 -27.41 21.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.798 -179.804 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.571 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -50.1 141.4 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.704 -179.851 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.496 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.9 p -94.11 139.85 30.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.588 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.6 mm -40.58 -50.41 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -50.34 -44.65 54.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.548 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -60.52 -40.26 90.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.476 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.18 -57.29 12.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.312 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -47.1 -41.99 18.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.326 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.35 90.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.446 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -57.44 -35.63 70.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.485 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 6.5 mt -68.41 -48.7 71.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.381 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -54.98 -31.54 60.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.485 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -77.3 -27.33 52.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.513 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -78.42 -59.89 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -93.32 -106.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.553 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.75 10.94 0.05 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 21.5 mt -83.63 119.81 74.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.687 0.28 . . . . 0.0 110.505 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -72.69 146.46 43.36 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.709 2.273 . . . . 0.0 111.971 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.551 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.08 -60.41 0.87 Allowed 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.859 2.373 . . . . 0.0 111.964 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -44.21 -15.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.674 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' B' ' 38' ' ' PRO . 58.7 mm-40 -119.92 40.3 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.503 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' B' ' 38' ' ' PRO . 70.5 mt-30 -133.39 153.57 51.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.56 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -155.74 89.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.464 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.62 126.09 31.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.52 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 28.0 mt -127.18 134.8 65.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.502 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -143.87 143.71 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.594 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.1 27.96 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.522 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.27 33.71 73.78 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -144.23 130.72 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.783 0.325 . . . . 0.0 110.573 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' B' ' 50' ' ' LEU . 19.6 tm0? -74.44 131.96 41.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.465 ' O ' ' NE2' ' B' ' 49' ' ' GLN . 22.1 mt -81.69 107.5 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -70.05 150.6 46.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.475 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.36 151.21 45.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.89 -55.75 1.88 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.4 ' H ' ' HG2' ' B' ' 54' ' ' ARG . 15.1 mmt180 -53.22 170.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.741 0.305 . . . . 0.0 110.708 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.496 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 41.4 p -108.45 168.43 9.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.634 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' B' ' 17' ' ' VAL . 86.4 mt -63.4 -34.74 78.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.621 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.527 ' C ' ' H ' ' B' ' 59' ' ' TYR . 60.7 p -60.85 -30.8 70.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.65 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.527 ' O ' ' CD1' ' B' ' 59' ' ' TYR . 2.0 m-20 -72.6 25.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.527 ' CD1' ' O ' ' B' ' 58' ' ' ASP . 74.0 m-85 -154.67 11.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.462 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 54.25 27.46 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.2 mt -76.28 93.32 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -78.74 -157.59 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.596 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -84.88 158.31 20.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.729 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 57.64 35.32 25.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.793 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.5 m -93.17 136.24 33.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.529 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -89.72 109.01 20.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.538 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mp -89.3 112.45 23.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -72.82 98.83 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 19.4 tp -85.4 114.3 22.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.554 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -119.4 159.09 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.655 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 36.6 mt -94.41 118.88 32.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.49 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.411 ' N ' ' O ' ' C' ' 17' ' ' VAL . 30.0 ttp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -97.02 123.28 40.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.552 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 6.3 pt -127.72 151.57 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.64 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.455 ' O ' HD12 ' C' ' 67' ' ' LEU . 96.6 m-85 -106.18 148.54 27.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.612 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 64.6 t -133.68 110.93 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.425 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -93.44 130.02 39.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.593 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 81.5 p -95.43 141.92 28.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.447 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.566 ' O ' HD23 ' C' ' 8' ' ' LEU . 1.2 tt -47.28 -46.96 25.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 34.6 p -52.22 -44.84 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.49 83.92 0.4 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -174.49 123.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.609 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -97.95 140.8 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -130.79 131.5 64.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -101.08 120.45 40.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.423 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -120.24 134.45 55.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.791 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' C' ' 16' ' ' GLU . 15.6 mp0 -91.22 87.37 6.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.7 m -111.87 -163.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.729 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.446 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 14.2 mt-10 -148.64 153.47 39.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.344 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.02 -46.49 13.13 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.924 2.416 . . . . 0.0 112.363 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.449 ' O ' ' C ' ' C' ' 21' ' ' ASP . 1.2 p -59.67 -45.47 91.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.9 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 1.9 m-20 -33.96 138.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.794 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 22' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 2.4 p -91.45 145.18 24.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.606 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 19.9 mm -44.01 -52.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.409 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -49.35 -40.49 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.352 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -61.81 -41.74 98.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.184 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.01 -49.0 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.252 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' LYS . . . . . 0.435 ' NZ ' ' O ' ' C' ' 41' ' ' GLN . 68.6 mttm -53.23 -38.1 62.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.271 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.16 80.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.424 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -56.77 -39.33 73.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.367 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.5 mt -67.25 -39.37 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.429 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -59.87 -36.97 78.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.498 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.99 -33.37 68.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -71.57 -60.15 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -90.64 -89.18 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.54 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.16 1.96 0.03 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -72.16 132.71 84.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.665 0.269 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.07 140.6 28.46 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.707 2.271 . . . . 0.0 111.87 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.01 -62.05 0.5 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.754 2.303 . . . . 0.0 112.055 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -40.96 -26.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.646 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' C' ' 38' ' ' PRO . 23.1 mt-30 -111.02 64.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.435 ' O ' ' NZ ' ' C' ' 27' ' ' LYS . 70.3 mt-30 -151.73 111.55 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.655 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -104.6 106.47 16.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.432 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -97.51 123.24 41.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.763 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 mt -116.49 146.14 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.485 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' PHE . . . . . 0.616 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 80.3 t80 -160.56 178.08 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.49 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 46' ' ' ALA . . . . . 0.616 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -43.36 -19.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.619 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 47' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -105.52 30.72 9.38 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 48' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' C' ' 45' ' ' PHE . 5.2 ttmm 62.53 -150.44 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.529 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.426 ' H ' ' CG ' ' C' ' 48' ' ' LYS . 46.1 mt-30 -71.79 133.73 45.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.5 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.0 117.35 29.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.679 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -76.97 158.71 30.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.576 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.27 164.62 25.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.581 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 53' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 84.72 -60.27 4.83 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' C' ' 53' ' ' GLY . 14.7 mmt85 -44.12 169.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 110.563 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 70.9 p -113.88 164.51 13.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.63 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.94 -1.26 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.545 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 57' ' ' SER . . . . . 0.46 ' C ' ' H ' ' C' ' 59' ' ' TYR . 4.9 t -93.66 -31.21 14.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.638 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -72.97 14.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.46 ' H ' ' C ' ' C' ' 57' ' ' SER . 56.6 m-85 -138.83 8.17 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.518 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 56.06 29.67 14.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 74.1 mt -78.34 91.82 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.376 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -78.06 -157.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.65 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -81.81 159.79 23.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.684 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 59.42 33.6 22.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.685 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 11.3 m -92.66 121.46 34.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.508 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 85.5 m -95.12 105.85 17.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 67' ' ' LEU . . . . . 0.455 HD12 ' O ' ' C' ' 4' ' ' PHE . 1.1 mp -100.54 146.76 26.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.589 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -87.91 149.32 24.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.217 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 47.1 tp -136.03 133.13 37.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.752 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 t -141.01 115.5 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.582 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.566 ' O ' HD12 ' C' ' 71' ' ' LEU . 0.3 OUTLIER -72.12 165.16 24.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.483 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -57.48 -65.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.496 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 23.7 tp -166.11 110.71 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.524 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 51.5 ttm-85 53.76 97.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.41 152.94 8.32 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 73.1 p -66.03 88.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.569 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.53 149.27 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 8.8 mm -59.85 -23.87 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 16.1 p -48.35 -39.04 20.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 28.2 t -54.57 -57.49 11.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.58 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -51.85 -34.95 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.76 -69.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 50.2 mt -49.04 -30.08 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.596 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 49.0 tp -59.0 -63.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.532 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -47.4 -59.67 5.71 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.604 ' N ' HD12 ' A' ' 493' ' ' LEU . 9.4 mp -53.93 -41.93 68.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.427 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -44.33 -37.53 4.71 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 40.6 mt -81.0 -25.55 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 0.0 110.511 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 493' ' ' LEU . . . -78.69 -1.27 33.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -42.17 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -87.6 11.94 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.598 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.431 ' O ' ' OG ' ' A' ' 500' ' ' SER . . . -42.96 -90.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 500' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 499' ' ' GLY . 5.4 m -167.29 35.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.573 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 71.2 tttt 62.77 99.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -116.09 156.69 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -84.8 1.14 48.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -83.96 -28.15 27.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.112 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.404 ' H ' HG23 ' A' ' 505' ' ' VAL . 4.8 t -55.05 -66.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.371 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.452 ' CD2' HD22 ' A' ' 530' ' ' LEU . 8.9 mt -71.64 -23.58 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.419 ' O ' HD12 ' A' ' 508' ' ' LEU . . . -68.11 -12.41 62.85 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 507' ' ' GLY . 2.6 mp -124.13 -45.2 2.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 110.722 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.1 -55.5 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.903 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.603 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 8.7 tp -45.12 -60.11 3.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.69 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.603 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.5 Cg_endo -48.02 -52.2 8.66 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.414 2.076 . . . . 0.0 111.662 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.434 ' O ' HG22 ' A' ' 512' ' ' ILE . 85.5 mt -55.89 -14.9 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.601 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.41 ' HB2' ' HB1' ' A' ' 523' ' ' ALA . . . -139.61 32.54 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.733 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.481 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -153.71 -37.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.781 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 514' ' ' ALA . 17.9 t -31.95 -58.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.675 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 515' ' ' SER . 22.7 m -171.41 -45.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.422 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.535 ' O ' ' O ' ' A' ' 518' ' ' LEU . 52.6 t0 -146.01 -76.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.42 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.609 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.2 mm? 55.03 149.43 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.43 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.03 132.0 10.98 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.779 2.319 . . . . 0.0 111.908 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 98.7 mt -74.93 -38.57 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 524' ' ' ALA . 48.8 mt-10 -49.81 -80.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 7.3 m -45.0 -46.26 11.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 513' ' ' ALA . . . -56.42 -32.87 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 524' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 521' ' ' GLU . . . -58.23 -60.55 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.485 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 25.2 mtt -55.59 -32.52 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.532 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -67.04 -47.09 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.554 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 9.1 t -51.35 -43.06 61.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.48 -42.73 98.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 529' ' ' ALA . . . . . 0.486 ' O ' HG23 ' A' ' 533' ' ' VAL . . . -50.95 -40.1 56.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.609 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.452 HD22 ' CD2' ' A' ' 506' ' ' LEU . 16.7 mt -67.19 -43.61 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -56.25 -72.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.626 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 532' ' ' HIS . . . . . 0.404 ' O ' HG12 ' A' ' 535' ' ' VAL . 16.1 t-80 -42.97 -51.32 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.691 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.519 ' C ' ' H ' ' A' ' 535' ' ' VAL . 82.7 t -61.2 -73.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.583 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -73.11 29.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.568 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.519 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -59.38 -30.36 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.551 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.14 -79.35 0.87 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 537' ' ' THR . 12.9 t -85.32 125.88 33.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.592 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 20.8 p -114.53 160.28 19.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.5 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -135.55 156.48 48.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -71.19 -48.09 33.55 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -43.72 -37.25 2.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 0.0 110.577 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.81 -47.15 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.639 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.5 m -69.19 -56.29 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.628 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 70.3 p -41.27 -56.24 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.592 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 58.8 p -58.18 -51.14 70.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 0.0 110.291 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -26.19 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.32 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.9 tpt -76.01 -48.8 19.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -47.32 -44.63 23.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.42 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -68.56 -35.9 78.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.518 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' PHE . . . . . 0.453 ' CE1' ' NH1' ' A' ' 553' ' ' ARG . 13.7 t80 -55.56 -43.06 75.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.521 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 553' ' ' ARG . 24.4 mt -70.59 -46.26 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -50.01 -14.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.453 ' NH1' ' CE1' ' A' ' 550' ' ' PHE . 29.5 ttp180 -41.25 143.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.488 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.482 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -105.15 -9.8 17.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.497 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 57.34 5.46 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.013 0.435 . . . . 0.0 110.097 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.482 ' H ' ' C ' ' A' ' 554' ' ' THR . 1.1 mp -102.95 -25.0 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.37 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.428 ' C ' ' H ' ' A' ' 559' ' ' LYS . 51.5 mt-10 -87.65 11.34 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.613 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 90.8 mt -54.04 -9.83 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.626 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 557' ' ' GLU . 57.8 tttp -60.39 -52.63 64.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.553 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 30.5 p -71.82 148.64 46.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.519 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -86.28 130.14 34.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.416 ' H ' ' H ' ' A' ' 563' ' ' VAL . 30.0 p-90 -178.17 -9.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.621 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.416 ' H ' ' H ' ' A' ' 562' ' ' TRP . 11.8 p -63.86 -31.08 51.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.561 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -62.42 -64.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -51.57 -44.62 62.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 569' ' ' ALA . 27.7 tp -55.16 -49.14 72.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.514 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.37 -63.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.629 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 568' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' A' ' 568' ' ' LEU . 14.1 mt -43.21 -32.88 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 566' ' ' LEU . . . -62.56 -60.34 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.592 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 39.9 mt -55.15 -12.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -94.36 -78.2 1.4 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 3.5 tp -42.38 -32.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.548 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.7 tp -44.72 -63.08 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -83.33 -176.67 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 575' ' ' MET . . . . . 0.413 ' H ' ' H ' ' A' ' 576' ' ' GLY . 4.5 ptt? -178.09 12.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.532 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 576' ' ' GLY . . . . . 0.413 ' H ' ' H ' ' A' ' 575' ' ' MET . . . 99.89 126.95 5.85 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -172.74 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.672 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 178.95 86.68 0.07 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 579' ' ' GLU . . . . . 0.541 ' C ' ' O ' ' A' ' 578' ' ' GLY . 47.4 mt-10 25.61 37.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.823 0.344 . . . . 0.0 110.79 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.672 ' N ' ' O ' ' A' ' 578' ' ' GLY . 29.2 mm100 -65.25 -61.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.526 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 41.4 t -57.0 -40.25 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.559 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -49.62 -42.39 44.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.47 -38.12 80.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.583 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 44.4 t -58.28 -55.44 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 49.5 mt -55.87 -32.16 63.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.476 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -66.21 -36.48 83.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.412 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 31.6 m -68.95 -53.98 17.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 94.0 mt -46.55 -39.8 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.573 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 25.5 p -75.09 -27.59 59.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 587' ' ' THR . . . -57.07 -37.18 71.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.549 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 9.0 pt -102.93 68.02 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 60.7 -168.12 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.598 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 2.7 p-80 -138.11 77.57 36.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.485 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.06 -158.14 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.963 2.442 . . . . 0.0 111.966 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.438 ' C ' ' H ' ' A' ' 597' ' ' SER . 50.0 mtt -64.39 4.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.485 ' H ' ' C ' ' A' ' 594' ' ' PRO . 38.0 p -60.12 -4.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.581 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 597' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 595' ' ' MET . 22.9 p -45.86 -46.74 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -47.68 -45.44 28.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.529 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 14.9 mm -69.75 -46.83 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.584 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -49.66 -59.65 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.8 -66.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 57.1 tp -44.13 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 42.2 t -51.8 -28.16 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.552 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.44 -40.17 96.15 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 8.3 t -64.97 -52.21 57.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.552 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 52.2 t -81.36 128.29 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -172.07 -87.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -76.29 -174.08 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.547 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 40.8 p -60.18 132.76 54.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.562 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 173.2 59.66 0.05 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 611' ' ' THR . . . . . 0.403 ' H ' ' H ' ' A' ' 612' ' ' GLY . 1.1 t -167.65 -5.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.568 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 612' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' A' ' 611' ' ' THR . . . . . . . . 0 C--O 1.22 -0.776 0 CA-C-O 118.019 -1.434 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -105.38 107.56 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.417 HG12 HG22 ' B' ' 17' ' ' VAL . 14.2 pt -104.2 155.45 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.632 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -116.24 153.32 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.638 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -129.78 106.16 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.365 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -80.76 125.97 30.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.65 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.404 ' C ' ' H ' ' B' ' 9' ' ' THR . 33.5 p -90.11 156.09 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.398 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.73 44.45 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.523 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.404 ' H ' ' C ' ' B' ' 7' ' ' THR . 25.1 p -143.73 -43.98 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.62 -15.42 1.81 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -82.96 139.42 33.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.4 m -118.44 120.94 39.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.479 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -95.53 129.38 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.665 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.7 m -103.87 124.56 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.422 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.6 mt -131.58 141.5 49.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.752 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -91.67 110.64 21.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.346 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.519 HG21 ' CD1' ' B' ' 56' ' ' LEU . 10.7 m -126.38 -173.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.746 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.479 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 7.5 mt-10 -126.32 172.75 5.97 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.183 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.64 -17.6 18.06 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.851 2.367 . . . . 0.0 112.16 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.7 t -97.81 -11.83 22.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.641 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 36.1 m-20 -55.59 137.1 49.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.525 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.0 p -86.66 139.45 30.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.0 mm -45.77 -50.49 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.23 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -48.61 -40.93 29.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.167 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -62.28 -45.49 93.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.222 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.22 -52.61 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.23 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -51.46 -38.7 55.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.172 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.43 98.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.272 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -61.93 -37.78 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.44 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mt -66.71 -36.77 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.485 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -66.76 -34.7 78.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.46 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -72.71 -26.21 61.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -84.01 -64.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -81.76 -108.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.5 12.34 0.04 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 80.1 mt -87.54 126.06 63.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.648 0.261 . . . . 0.0 110.523 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -72.91 146.33 41.88 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.566 2.177 . . . . 0.0 111.952 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.661 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -45.95 -50.03 10.34 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.817 2.345 . . . . 0.0 112.054 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.88 21.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.703 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.661 ' H ' ' C ' ' B' ' 38' ' ' PRO . 59.9 mt-30 -151.85 48.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.476 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -147.79 148.03 30.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.401 ' HE ' ' CD ' ' B' ' 49' ' ' GLN . 54.9 ttt180 -142.1 96.1 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.501 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.429 HD23 ' N ' ' B' ' 43' ' ' LEU . 4.2 mt -84.38 127.42 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mt -127.94 145.74 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -145.47 136.12 24.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.05 27.46 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.85 38.57 30.76 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -142.17 118.63 10.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.596 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.401 ' CD ' ' HE ' ' B' ' 42' ' ' ARG . 6.8 tt0 -72.64 136.31 45.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -92.43 137.11 32.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.558 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -102.6 148.98 24.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.58 178.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.538 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 69.05 -63.8 0.51 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' B' ' 53' ' ' GLY . 4.4 mpt_? -41.61 166.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.602 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.5 p -118.08 166.03 13.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.565 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.519 ' CD1' HG21 ' B' ' 17' ' ' VAL . 82.6 mt -63.85 -3.22 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.1 p -96.69 -21.28 17.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.535 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.98 9.03 11.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.472 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -135.89 11.15 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 55.06 32.46 18.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.714 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.7 mt -82.44 94.62 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.413 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -77.59 -160.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -84.33 160.31 20.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.727 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 60.28 30.78 20.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.809 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.6 m -90.62 128.89 36.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.444 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 28.2 m -91.12 92.36 8.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.534 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.88 126.38 30.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.89 108.23 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.451 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 16.9 tp -87.91 101.15 13.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.09 149.08 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.48 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.573 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.7 mm? -90.99 118.9 30.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.586 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -68.47 89.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.435 HD23 ' C ' ' B' ' 73' ' ' LEU . 1.8 tt 52.35 78.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.415 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -56.97 135.85 56.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -48.15 -75.51 0.19 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.772 0 CA-C-O 117.977 -1.457 . . . . 0.0 110.928 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -73.7 99.85 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.475 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 9.7 pt -100.28 158.8 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -114.7 145.65 41.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.622 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.58 105.89 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.496 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -88.75 130.76 35.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.615 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 81.0 p -96.73 141.94 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.46 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.511 ' O ' HD23 ' C' ' 8' ' ' LEU . 1.0 OUTLIER -48.52 -47.94 38.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.496 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 44.0 p -48.63 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.67 74.22 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -167.59 127.55 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.606 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 36.8 m -102.62 129.77 49.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.464 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mt -116.33 129.71 72.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.61 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 10.3 m -93.61 123.45 36.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.414 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 26.6 mt -131.55 129.79 41.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' C' ' 16' ' ' GLU . 27.1 mp0 -88.29 104.21 16.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.302 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.437 HG21 ' CD1' ' C' ' 56' ' ' LEU . 8.7 m -124.21 -177.13 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.564 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 3.7 mt-10 -124.44 175.03 3.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.202 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.15 -22.04 14.95 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.803 2.335 . . . . 0.0 112.171 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 6.9 t -93.84 -6.17 46.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.622 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.564 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 19.2 m-20 -61.93 137.85 58.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.532 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.6 p -88.01 140.19 29.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.747 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 40.7 mm -46.21 -47.82 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.305 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -51.95 -40.35 60.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.27 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -62.34 -43.48 98.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.127 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.48 -47.88 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.205 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -54.04 -42.07 68.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.358 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -44.62 93.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.349 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -59.2 -41.5 88.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.377 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.6 mt -62.32 -45.02 99.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.383 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -57.48 -37.85 73.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.402 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -68.94 -24.86 64.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.495 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -82.47 -64.38 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.518 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -88.86 -101.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.42 19.22 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.544 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 74.0 mt -87.23 108.71 20.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.643 0.258 . . . . 0.0 110.516 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.75 138.13 11.74 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.651 2.234 . . . . 0.0 111.915 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.552 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.66 -44.83 21.0 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.771 2.314 . . . . 0.0 112.092 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -70.05 28.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.793 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.552 ' H ' ' C ' ' C' ' 38' ' ' PRO . 63.8 mt-30 -155.0 47.43 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 67.3 mt-30 -150.69 98.13 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -88.34 104.4 16.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.394 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 63.1 mt -88.08 137.03 32.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.697 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 mt -140.88 140.64 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.553 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' PHE . . . . . 0.589 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 53.0 t80 -126.35 -178.87 4.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 46' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -38.44 -40.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.16 -92.81 0.08 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -146.32 -142.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.574 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -86.61 138.18 31.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 mt -91.84 132.34 36.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.618 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -98.84 159.75 14.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.611 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.3 OUTLIER -64.98 165.61 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 53' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 82.95 -68.72 3.51 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.0 mmt180 -39.6 161.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 110.516 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.476 ' C ' ' H ' ' C' ' 57' ' ' SER . 39.9 p -113.44 163.35 14.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.568 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.437 ' CD1' HG21 ' C' ' 17' ' ' VAL . 70.2 mt -64.24 3.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.637 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 57' ' ' SER . . . . . 0.476 ' H ' ' C ' ' C' ' 55' ' ' THR . 3.1 t -95.65 -26.02 15.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.643 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.14 18.87 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.572 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' C' ' 60' ' ' ASN . 86.5 m-85 -141.47 -9.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 60' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' C' ' 59' ' ' TYR . 10.4 t-20 76.17 10.79 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.705 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -58.65 106.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.494 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -84.54 -157.72 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.664 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -87.01 160.64 18.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.729 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 56.72 27.47 12.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.776 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -87.97 134.46 33.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.587 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 7.9 m -89.9 111.82 22.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mt -101.63 121.99 43.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -71.13 142.4 50.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.209 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 69' ' ' LEU . . . . . 0.737 ' C ' HD23 ' C' ' 69' ' ' LEU . 6.3 tt -134.8 121.22 20.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.599 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.64 ' N ' HD23 ' C' ' 69' ' ' LEU . 16.9 t -119.39 104.3 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.437 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.735 ' H ' HD23 ' C' ' 71' ' ' LEU . 1.8 pt? -77.54 147.21 35.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.684 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -84.22 91.59 7.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 24.0 mt 60.65 164.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -46.23 126.11 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.658 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.6 -83.38 0.11 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 4.3 p -59.67 -27.45 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.589 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -76.34 58.74 1.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 23.3 pt -61.67 -19.86 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.597 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 44.0 m -53.81 -26.59 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.625 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 59.2 m -68.22 -52.83 29.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.537 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -64.96 -16.26 63.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.597 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.86 -70.97 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.546 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 22.4 mm -53.39 -37.29 28.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 494' ' ' GLY . 6.9 tp -57.92 -75.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.483 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -46.61 -33.76 6.39 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.4 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 8.3 tp -74.22 -30.24 62.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.492 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 494' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 491' ' ' LEU . . . -60.5 -50.25 69.61 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 9.0 tp -76.51 -26.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.491 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 498' ' ' ALA . . . -53.66 -51.38 63.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.41 ' O ' ' OG ' ' A' ' 500' ' ' SER . 63.0 m-85 -42.54 -22.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.664 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 496' ' ' ALA . . . -43.64 -35.05 1.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -96.66 57.34 1.34 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 500' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 497' ' ' PHE . 12.8 p -174.42 -82.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 110.571 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 45.8 tttp 65.38 33.75 8.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.533 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 7.9 t-20 -90.79 -169.54 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 503' ' ' ASP . . . . . 0.533 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 68.1 m-20 -89.99 6.28 42.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.418 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -81.57 -33.11 31.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.226 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.443 HG23 ' H ' ' A' ' 505' ' ' VAL . 2.1 t -53.35 -60.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.388 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.9 mp -75.0 -17.56 60.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.463 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -67.69 -18.14 69.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 19.6 mt -119.61 -43.81 2.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.731 0.301 . . . . 0.0 110.755 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.7 mp -67.39 -56.71 8.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.94 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.63 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 7.1 tp -45.07 -60.54 3.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.734 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.63 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -47.61 -47.46 18.09 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.474 2.116 . . . . 0.0 111.799 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.47 -17.87 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.67 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -128.75 1.33 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.625 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -131.29 -4.96 3.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 511' ' ' PRO . 3.2 t -45.47 -67.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -178.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 515' ' ' SER . 2.0 m -169.17 -57.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.523 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -159.65 59.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.633 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 95.8 mt -82.75 150.5 62.58 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.71 139.21 7.62 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.816 2.344 . . . . 0.0 111.991 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 520' ' ' ILE . 62.4 mt -75.19 -4.07 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.504 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -64.78 -41.58 95.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 522' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 524' ' ' ALA . 7.4 m -101.36 -55.49 2.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.665 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.412 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -39.99 -28.48 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.694 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 524' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 522' ' ' THR . . . -70.63 -64.79 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.515 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 36.3 mtt -46.16 -52.65 11.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -48.51 -41.52 30.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.53 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 523' ' ' ALA . 3.7 m -56.55 -36.2 69.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.487 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 21.8 mt -74.87 -16.86 60.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.568 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -76.76 -49.19 16.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.565 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.74 -35.58 81.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.557 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -61.71 -62.21 1.96 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.531 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -45.46 -44.98 12.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.539 ' C ' ' H ' ' A' ' 535' ' ' VAL . 78.2 t -73.1 -71.55 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.585 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -71.76 30.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.672 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.5 p -55.29 -40.87 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.582 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.508 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -85.1 -87.43 0.92 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 537' ' ' THR . 9.0 t -61.45 121.84 13.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 110.588 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 44.7 t -113.14 168.82 9.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.514 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.583 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 18.8 m-20 -133.65 -178.1 4.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.565 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -97.97 -53.12 1.31 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -42.03 -42.44 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.563 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 82.7 mt -54.91 -48.6 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.617 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 89.4 m -62.76 -61.54 2.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.409 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 63.6 p -44.93 -50.1 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.472 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 81.9 p -59.6 -42.29 92.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.372 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 546' ' ' ILE . . . . . 0.401 ' O ' ' CD1' ' A' ' 550' ' ' PHE . 0.3 OUTLIER -66.64 -30.6 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.361 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 76.9 mmm -75.76 -43.69 45.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.479 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' C' ' 72' ' ' ARG . 46.9 m-20 -53.85 -38.34 64.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.512 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -72.56 -41.83 65.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.515 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 546' ' ' ILE . 3.0 m-85 -51.17 -50.39 59.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.474 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.561 HD22 HD13 ' A' ' 591' ' ' ILE . 36.5 mt -69.41 -47.16 65.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.497 ' OE2' ' NH1' ' C' ' 72' ' ' ARG . 36.5 mt-10 -77.93 21.73 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.559 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.567 ' NH1' ' CH2' ' A' ' 562' ' ' TRP . 31.3 ttp85 -83.54 137.14 33.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.511 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.58 HG22 HD13 ' A' ' 556' ' ' ILE . 0.2 OUTLIER -104.3 -26.65 12.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.574 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 55.54 3.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.091 0.472 . . . . 0.0 109.843 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.58 HD13 HG22 ' A' ' 554' ' ' THR . 0.8 OUTLIER -60.35 -17.02 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.648 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -74.67 -75.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.625 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 22.8 mt -112.3 146.73 37.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.448 ' O ' ' OD1' ' A' ' 561' ' ' ASP . 58.5 mttm -107.54 141.99 38.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.608 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 562' ' ' TRP . 5.4 m 63.99 -77.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.683 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 559' ' ' LYS . 1.3 p-10 -56.87 83.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.67 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.567 ' CH2' ' NH1' ' A' ' 553' ' ' ARG . 64.9 p-90 -176.78 -38.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.496 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.495 ' N ' ' CD2' ' A' ' 562' ' ' TRP . 11.6 p -64.7 -23.19 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.619 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -67.46 -36.04 80.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.58 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -75.78 -63.21 1.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.8 mp -44.21 -41.24 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.628 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.4 87.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.518 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 568' ' ' LEU . . . . . 0.463 ' HA ' HD22 ' A' ' 568' ' ' LEU . 0.2 OUTLIER -59.16 -70.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.472 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -44.77 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.624 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 56.6 tp -43.32 -24.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -82.7 -78.86 1.03 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.4 tt -46.76 -20.35 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.621 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.413 ' N ' ' C ' ' A' ' 571' ' ' GLY . 19.5 tp -44.89 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.508 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -82.35 121.85 27.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.527 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 48.2 mtm -57.88 -16.18 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.6 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 81.6 75.58 1.11 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -155.83 50.06 0.53 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.819 0.343 . . . . 0.0 110.563 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.502 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . 174.35 138.74 2.78 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -53.42 -7.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 110.569 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.502 ' H ' ' C ' ' A' ' 578' ' ' GLY . 7.2 mm100 -50.76 -54.34 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 98.2 t -55.86 -47.13 80.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -45.75 -39.49 8.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.48 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.26 -43.54 81.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.504 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 54.0 t -54.04 -55.5 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 19.2 mt -50.72 -44.74 58.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.496 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -52.7 -37.95 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.523 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 22.8 m -62.08 -46.49 88.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.409 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 58.7 mt -51.61 -36.62 18.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.498 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 21.6 p -83.96 -28.54 27.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -57.12 -51.07 70.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.561 HD13 HD22 ' A' ' 551' ' ' LEU . 13.4 tt -81.25 154.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.553 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.531 ' O ' ' ND1' ' A' ' 593' ' ' HIS . 30.9 tt0 -64.49 94.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.591 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.531 ' ND1' ' O ' ' A' ' 592' ' ' GLU . 9.8 m-70 -160.79 73.57 2.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.477 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -9.18 19.97 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.982 2.455 . . . . 0.0 111.956 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.437 ' C ' ' H ' ' A' ' 597' ' ' SER . 45.3 mtt -78.0 -45.12 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 68.1 p -60.82 -3.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.546 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 597' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 595' ' ' MET . 15.7 t -48.82 -30.22 5.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.543 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.9 -48.46 79.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.8 -36.56 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -56.41 -38.62 71.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 84.5 t -69.63 -40.94 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.495 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 12.5 tp -56.23 -75.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 17.3 t -52.27 -36.16 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -59.34 -48.2 87.15 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 18.6 p -54.95 -41.27 70.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 74.1 m -84.41 173.18 11.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.535 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 59.45 -153.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.586 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -56.09 151.2 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.634 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 14.5 p -82.29 -13.85 56.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.629 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 111.16 -19.33 24.99 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 9.6 m -76.28 -52.15 10.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 0.0 110.597 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.703 0 CA-C-O 118.002 -1.443 . . . . 0.0 110.883 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.8 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -88.12 115.86 25.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.621 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -118.64 155.7 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.636 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -114.61 147.01 40.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.866 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -125.31 101.14 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.19 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -87.92 134.69 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.753 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.47 ' C ' ' H ' ' B' ' 9' ' ' THR . 1.5 p -111.19 167.6 10.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.452 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.23 40.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.493 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.47 ' H ' ' C ' ' B' ' 7' ' ' THR . 22.3 p -146.07 15.25 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.47 -15.79 4.33 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' B' ' 9' ' ' THR . 72.6 tttt -69.56 133.57 47.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.677 0.275 . . . . 0.0 110.615 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -125.71 109.58 12.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -90.37 127.42 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.683 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -99.15 120.72 39.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.302 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.7 mt -128.65 139.12 52.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.803 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -88.37 124.65 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.296 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -143.8 -164.76 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.707 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' B' ' 21' ' ' ASP . 23.0 mt-10 -149.15 152.56 36.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.461 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.1 -49.61 9.79 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.991 2.461 . . . . 0.0 112.25 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.445 ' O ' ' C ' ' B' ' 21' ' ' ASP . 0.9 OUTLIER -56.83 -42.76 80.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.932 -179.689 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' B' ' 18' ' ' GLU . 6.7 m-20 -35.83 142.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.79 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.7 p -97.26 146.66 24.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.6 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 20.0 mm -47.59 -54.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.365 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -45.95 -42.93 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.364 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.475 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 25.0 t-20 -59.98 -47.51 85.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.249 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.4 t -55.98 -52.21 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.228 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -51.67 -31.87 27.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.16 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -68.16 -43.13 78.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.301 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -62.19 -37.54 85.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.399 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 6.3 mt -69.36 -40.37 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.378 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -61.01 -35.9 78.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.495 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -72.01 -35.06 69.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.516 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -71.12 -62.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.472 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -88.5 -108.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.498 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.2 9.59 0.05 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 15.0 mt -83.24 118.11 70.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.704 0.288 . . . . 0.0 110.499 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -72.62 144.89 40.72 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.613 2.209 . . . . 0.0 111.973 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.635 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.16 -49.93 10.73 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.782 2.321 . . . . 0.0 111.909 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -59.35 9.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.635 ' H ' ' C ' ' B' ' 38' ' ' PRO . 20.1 mm100 -143.44 54.7 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -151.0 164.44 36.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.58 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.455 ' HE ' ' CD ' ' B' ' 49' ' ' GLN . 58.9 ttt180 -157.29 90.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.535 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.1 mt -78.87 116.63 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.559 HD12 HG21 ' B' ' 70' ' ' VAL . 12.9 mt -118.5 138.41 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -136.46 132.53 35.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.475 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.24 17.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.447 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.24 -11.77 68.75 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.46 ' NZ ' ' C ' ' C' ' 75' ' ' GLY . 31.0 mttm -88.0 120.24 29.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.527 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.455 ' CD ' ' HE ' ' B' ' 42' ' ' ARG . 47.2 tt0 -75.43 125.82 29.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.564 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.404 HD22 ' CG ' ' B' ' 59' ' ' TYR . 20.3 mt -82.76 128.96 34.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -92.41 159.73 15.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.572 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.73 161.67 30.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.555 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 83.75 -57.21 5.06 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' B' ' 53' ' ' GLY . 13.9 mmt180 -43.9 169.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 0.0 110.624 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 56.1 p -115.39 160.9 19.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.711 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.2 -8.91 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.7 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -91.42 -13.83 31.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.641 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -86.3 7.59 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.404 ' CG ' HD22 ' B' ' 50' ' ' LEU . 66.6 m-85 -133.72 5.37 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.549 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.3 t30 65.11 11.61 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.712 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.91 96.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.422 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -81.09 -171.05 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.693 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -74.37 158.63 33.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 57.53 40.53 26.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.885 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 73.6 m -94.14 154.03 17.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.296 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -109.7 92.33 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.566 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.71 121.13 24.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.6 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -79.78 103.37 9.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.1 tp -80.73 91.7 5.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.465 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.559 HG21 HD12 ' B' ' 44' ' ' ILE . 2.4 t -95.7 154.31 3.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.612 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.555 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.9 mm? -94.52 139.46 31.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.491 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -94.48 161.38 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.523 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -51.43 121.46 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.531 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -45.46 99.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.99 -118.02 0.44 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.71 0 CA-C-O 118.056 -1.413 . . . . 0.0 110.964 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.464 ' N ' ' O ' ' C' ' 17' ' ' VAL . 29.4 ttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -121.48 115.68 23.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 pt -116.77 154.96 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.743 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.434 ' O ' HD12 ' C' ' 67' ' ' LEU . 86.9 m-85 -110.25 141.84 42.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.506 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 69.6 t -119.88 114.0 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.433 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -94.39 134.29 37.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.575 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 59.2 p -94.54 142.27 27.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.535 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.597 ' O ' HD23 ' C' ' 8' ' ' LEU . 0.8 OUTLIER -55.54 -24.69 33.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.517 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 75.9 p -71.32 -64.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.43 72.73 0.01 OUTLIER Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -172.83 132.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.612 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -104.27 152.72 21.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.483 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.401 HD13 HG21 ' C' ' 13' ' ' ILE . 4.1 mt -137.03 130.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.703 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 9.3 m -93.27 121.06 34.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.304 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.3 mt -123.91 128.51 49.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -89.13 118.5 28.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.152 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.48 HG21 ' CD1' ' C' ' 56' ' ' LEU . 10.3 m -144.6 -174.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.619 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 4.1 mt-10 -129.5 145.21 55.96 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.375 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.26 -15.66 0.19 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.848 2.366 . . . . 0.0 112.362 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 8.5 t -96.57 -19.35 19.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.312 . . . . 0.0 110.826 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.619 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 1.0 OUTLIER -43.09 136.36 2.86 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 172.174 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.0 p -89.68 141.52 28.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.49 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mm -42.66 -57.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.621 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -46.8 -40.15 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -62.02 -43.34 99.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.329 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.1 -47.57 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.161 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -53.19 -41.76 65.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.214 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.71 84.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.34 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -55.29 -39.07 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.299 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.8 mt -66.37 -42.42 90.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.391 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -57.58 -36.72 72.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.44 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -71.07 -35.27 71.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -68.76 -56.27 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.548 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -96.65 -82.31 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.82 32.37 0.03 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 30.4 mt -103.0 114.14 65.43 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.656 0.265 . . . . 0.0 110.528 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -46.31 136.27 15.05 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.6 2.2 . . . . 0.0 111.734 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.23 -63.42 0.33 Allowed 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.793 2.329 . . . . 0.0 112.006 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -39.64 -35.35 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -94.97 59.84 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.707 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 59.9 mt-30 -157.02 134.11 10.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.584 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -126.96 108.27 10.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.427 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 27.4 mt -99.44 120.87 40.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.759 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 90.5 mt -122.12 129.51 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.406 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' PHE . . . . . 0.59 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 52.6 t80 -117.12 165.84 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.555 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 46' ' ' ALA . . . . . 0.59 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -40.14 -40.85 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.75 -67.63 2.0 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -173.7 -160.7 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.501 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -80.23 128.34 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.5 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' LEU . . . . . 0.443 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 10.8 mt -79.85 115.66 19.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.557 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -82.96 158.99 22.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.16 104.8 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.546 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 53' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 144.95 -67.47 0.42 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' C' ' 53' ' ' GLY . 10.0 mmt85 -44.63 173.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.725 0.297 . . . . 0.0 110.597 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.491 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 72.9 p -115.68 172.4 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.536 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.48 ' CD1' HG21 ' C' ' 17' ' ' VAL . 56.2 mt -70.91 2.49 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.781 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 57' ' ' SER . . . . . 0.491 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 23.1 p -93.42 -27.46 16.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.789 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.07 -1.39 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.679 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.443 ' CD2' ' CD2' ' C' ' 50' ' ' LEU . 61.1 m-85 -122.15 13.45 10.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.527 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 47.63 37.56 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.709 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 70.0 mt -84.82 98.17 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.487 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -79.39 -159.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -86.77 159.77 19.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.689 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 57.29 33.51 23.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.712 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m -97.74 131.74 43.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.609 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 9.2 m -91.91 128.57 37.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 67' ' ' LEU . . . . . 0.456 HD12 ' N ' ' C' ' 67' ' ' LEU . 5.6 mp -107.34 172.06 7.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.606 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -119.57 102.31 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.394 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 46.6 tp -93.3 132.61 37.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.453 ' C ' HD12 ' C' ' 71' ' ' LEU . 9.5 t -134.16 133.97 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.518 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.71 HD12 ' N ' ' C' ' 71' ' ' LEU . 7.2 mp -92.93 128.41 38.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.491 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 72' ' ' ARG . . . . . 0.497 ' NH1' ' OE2' ' A' ' 552' ' ' GLU . 8.3 ttt85 -41.96 -39.57 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.366 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 56.0 tp 179.74 149.11 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.363 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -41.18 131.11 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.521 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 75' ' ' GLY . . . . . 0.46 ' C ' ' NZ ' ' B' ' 48' ' ' LYS . . . -173.87 -84.55 0.06 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.656 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 483' ' ' THR . 1.1 t -80.23 155.45 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 484' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 486' ' ' SER . 20.7 pttp -170.32 8.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.9 pt -49.22 -17.47 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 484' ' ' LYS . 65.4 p -63.11 -53.49 52.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.497 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 4.4 m -45.62 -55.77 5.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.588 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -50.41 -46.27 56.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.612 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -52.54 -65.57 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 13.0 mm -49.21 -39.67 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.543 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.499 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.9 tt -53.1 -69.12 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.527 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -57.35 -57.18 21.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.542 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 5.4 tp -44.01 -43.07 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.603 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -56.31 -51.2 57.6 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 25.0 pt -84.58 13.62 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 110.655 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -93.96 -60.26 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.576 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 47.7 p90 -85.45 23.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -52.49 -67.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -91.79 88.43 1.36 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 55.2 m -160.07 -54.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.541 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.526 ' HZ2' HG21 ' A' ' 537' ' ' THR . 23.3 mmtp 50.15 74.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.587 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.421 ' C ' ' H ' ' A' ' 504' ' ' GLU . 4.6 m-20 -122.93 149.12 44.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.51 -2.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 504' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 502' ' ' ASN . 9.6 tp10 -84.66 -48.55 9.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.243 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 23.4 t -51.8 -57.35 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.35 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 534' ' ' PHE . 24.4 mt -70.07 -25.26 63.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.616 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.84 -18.1 61.52 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.7 mp -117.83 -39.04 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.737 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 510' ' ' LEU . 7.7 mp -68.18 -65.28 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.946 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.582 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 56.2 tp -38.98 -60.75 1.08 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.958 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.582 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.92 -59.8 1.11 Allowed 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.419 2.079 . . . . 0.0 111.644 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.512 ' O ' HG22 ' A' ' 512' ' ' ILE . 83.7 mt -53.36 -9.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.548 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.446 ' H ' ' C ' ' A' ' 511' ' ' PRO . . . -130.48 13.78 5.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.794 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -172.49 28.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.535 ' OG ' HD12 ' A' ' 518' ' ' LEU . 87.7 p -70.49 -60.17 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.36 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 515' ' ' SER . 1.3 m -170.74 -45.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.529 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.523 ' O ' ' NH2' ' B' ' 72' ' ' ARG . 27.4 t70 -171.31 27.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.641 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.535 HD12 ' OG ' ' A' ' 515' ' ' SER . 29.5 mt -53.97 154.47 7.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.435 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -43.82 159.78 0.09 OUTLIER 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.847 2.365 . . . . 0.0 112.049 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 520' ' ' ILE . 5.5 mt -83.76 -35.5 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -45.48 -81.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.761 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' THR . . . . . 0.575 HG23 ' N ' ' A' ' 523' ' ' ALA . 7.9 t -44.98 -47.79 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.787 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.575 ' N ' HG23 ' A' ' 522' ' ' THR . . . -55.2 -70.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.649 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 524' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 523' ' ' ALA . . . -35.52 -68.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.743 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 22.1 mmt -47.67 -54.39 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.679 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 526' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 528' ' ' LEU . . . -50.95 -68.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.576 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.0 m -40.76 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.686 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.52 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.1 tt -70.31 -51.01 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -68.3 -42.28 79.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.473 HD23 ' C ' ' A' ' 530' ' ' LEU . 1.7 tt -49.62 -61.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.568 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 533' ' ' VAL . . . -59.14 -47.88 83.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 532' ' ' HIS . . . . . 0.411 ' ND1' ' O ' ' A' ' 532' ' ' HIS . 37.5 t-80 -40.46 -29.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.686 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 531' ' ' ALA . 53.3 t -97.17 -46.0 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 534' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 506' ' ' LEU . 20.1 m-85 -87.23 34.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.583 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.457 HG23 ' H ' ' A' ' 535' ' ' VAL . 0.2 OUTLIER -47.74 -49.48 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.758 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 537' ' ' THR . . . -115.95 -25.69 3.52 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.526 HG21 ' HZ2' ' A' ' 501' ' ' LYS . 0.2 OUTLIER -53.38 -166.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 110.619 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.452 ' H ' HG22 ' A' ' 537' ' ' THR . 71.0 m -38.69 124.24 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.592 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.513 ' ND2' ' CE1' ' A' ' 574' ' ' TYR . 49.8 t-20 -140.95 36.58 1.76 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.633 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -99.5 -72.31 1.02 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.33 -40.54 94.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 538' ' ' CYS . 52.8 mt -50.99 -43.68 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 17.0 m -64.05 -62.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.49 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 69.0 p -45.36 -34.75 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.587 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' SER . . . . . 0.475 ' OG ' HD11 ' A' ' 510' ' ' LEU . 0.1 OUTLIER -74.13 -58.95 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.153 179.686 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 546' ' ' ILE . . . . . 0.443 ' N ' ' OG ' ' A' ' 545' ' ' SER . 0.1 OUTLIER -47.42 -28.17 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.317 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.0 tpt -72.5 -47.54 47.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.459 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -48.62 -42.5 34.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.312 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 553' ' ' ARG . 55.0 t-20 -66.86 -43.05 84.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.558 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -52.67 -55.48 22.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.404 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 54.2 mt -50.37 -64.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 552' ' ' GLU . 0.3 OUTLIER -55.81 -38.13 69.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.397 179.758 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.636 ' O ' HG23 ' A' ' 554' ' ' THR . 21.7 ttm-85 43.94 -133.55 0.63 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -173.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.671 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 165.06 -74.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.985 -179.839 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 32.36 29.78 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.241 0.543 . . . . 0.0 109.572 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.671 ' N ' ' O ' ' A' ' 554' ' ' THR . 3.0 tp -109.96 11.36 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.793 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -125.12 -50.51 1.68 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.561 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 39.1 mt -119.81 179.6 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.612 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -168.54 52.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.531 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 561' ' ' ASP . 39.8 p -153.07 122.63 6.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' A' ' 560' ' ' THR . 31.8 m-20 47.87 98.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.507 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.432 ' O ' ' N ' ' A' ' 564' ' ' ARG . 27.1 t90 -160.88 -67.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.522 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 92.5 t -44.29 -21.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.604 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 564' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 562' ' ' TRP . 34.9 ttt85 -67.39 -75.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -50.79 -37.81 44.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.56 -70.38 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -46.63 -40.07 12.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 568' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 568' ' ' LEU . 1.4 tt -53.47 -62.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -45.27 -70.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.562 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 52.9 tp -45.77 -24.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -82.75 -77.58 1.08 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 14.4 tt -47.95 -22.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.494 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 21.0 tp -43.83 -56.66 3.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.53 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.513 ' CE1' ' ND2' ' A' ' 539' ' ' ASN . 71.9 m-85 -90.14 128.98 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.561 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 50.6 mtt -44.7 -51.51 9.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.621 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 161.46 -65.65 0.26 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -74.5 127.95 34.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.801 0.334 . . . . 0.0 110.579 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 155.91 102.89 0.2 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -46.46 -15.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.54 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 578' ' ' GLY . 9.5 tt0 -51.04 -49.81 59.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.561 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 72.3 t -55.7 -44.41 76.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.461 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -49.72 -33.57 16.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.519 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -74.21 -37.32 63.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.498 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.85 -50.95 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.463 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 43.8 mt -59.14 -35.93 74.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.415 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -60.26 -41.64 93.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.484 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 590' ' ' ALA . 4.8 m -59.22 -57.08 14.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.439 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 61.9 mt -45.9 -34.08 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.364 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 4.1 t -77.91 -34.08 51.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.394 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -52.05 -31.41 29.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.456 ' O ' ' O ' ' A' ' 592' ' ' GLU . 7.6 pt -114.18 141.4 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.523 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' A' ' 591' ' ' ILE . 93.0 mt-10 -49.73 -103.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.656 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 66.7 m80 42.31 75.19 0.65 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.625 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.29 16.83 0.67 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.915 2.41 . . . . 0.0 111.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 28.7 mtt -85.26 -39.85 17.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.626 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 17.3 p -75.2 -3.31 32.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 28.9 t -42.62 -26.74 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.14 -58.04 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.623 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.22 -26.15 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -67.86 -46.34 72.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 64.4 t -68.11 -56.71 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.554 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 602' ' ' LEU . 29.7 mt -47.08 -72.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 85.4 t -53.95 -30.87 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.464 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.71 -39.97 98.15 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 47.1 t -69.26 -68.54 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.332 . . . . 0.0 110.6 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.31 120.0 25.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.623 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -172.04 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.626 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -65.21 -165.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 59.7 p -57.4 155.8 8.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -164.35 -44.44 0.02 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 3.7 t -166.93 40.58 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 110.57 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.766 0 CA-C-O 118.015 -1.436 . . . . 0.0 110.935 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttp . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -89.73 124.92 35.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.61 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 7.1 pt -127.98 144.12 38.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.588 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.436 ' CE1' ' OG1' ' B' ' 14' ' ' THR . 79.0 m-85 -99.54 142.22 31.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.746 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.6 t -126.24 111.92 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.375 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -90.73 125.09 35.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.9 p -84.24 145.91 28.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.455 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 tp -71.57 47.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 45.6 p -147.68 -46.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.0 63.43 0.03 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -170.18 127.62 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.808 0.337 . . . . 0.0 110.582 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -100.74 157.23 16.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.52 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -142.2 132.31 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.436 ' OG1' ' CE1' ' B' ' 4' ' ' PHE . 66.4 m -99.4 129.08 45.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.414 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.9 mt -129.19 133.91 47.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -91.1 96.9 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.43 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.3 m -119.84 -165.49 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.67 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.511 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 31.5 mt-10 -149.04 148.59 27.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.251 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.77 -17.4 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.83 2.353 . . . . 0.0 112.182 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.12 17.27 18.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 1.4 m-20 -93.22 131.33 38.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.488 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.418 ' O ' ' N ' ' B' ' 25' ' ' ASN . 2.4 p -80.23 134.92 36.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.5 mm -41.3 -53.23 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.375 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -49.29 -39.05 29.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.367 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.542 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 8.0 t-20 -63.12 -43.0 99.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.33 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 26.3 t -61.71 -52.06 65.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.197 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -50.31 -40.25 48.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.268 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.99 90.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.261 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.542 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 53.2 mttp -56.31 -39.22 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.274 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.7 mt -66.47 -43.77 90.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.425 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -58.6 -27.98 65.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.522 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -80.6 -28.38 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.574 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -78.49 -58.67 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.562 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -91.47 -102.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.615 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.71 7.72 0.03 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.42 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 37.3 mt -82.54 125.89 75.01 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.608 0.242 . . . . 0.0 110.568 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.92 145.7 36.36 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.734 2.289 . . . . 0.0 111.971 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.509 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.0 -65.55 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.871 2.381 . . . . 0.0 111.999 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' B' ' 38' ' ' PRO . 32.8 t0 -37.21 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.746 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' B' ' 38' ' ' PRO . 76.9 mm-40 -105.44 59.93 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -156.16 159.52 39.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.415 ' NE ' ' O ' ' B' ' 72' ' ' ARG . 23.5 ttm180 -160.36 94.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 mt -79.58 120.3 23.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.662 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.406 HD12 HG21 ' B' ' 70' ' ' VAL . 5.5 mt -120.82 130.51 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.494 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -121.97 117.82 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.538 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.07 26.93 5.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.19 -14.48 65.12 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.454 ' NZ ' ' C ' ' C' ' 75' ' ' GLY . 41.3 mttm -79.87 105.14 10.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 0.0 110.61 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.421 ' OE1' ' O ' ' B' ' 50' ' ' LEU . 0.5 OUTLIER -71.67 120.67 17.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.458 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.472 ' CD2' ' CD2' ' B' ' 59' ' ' TYR . 20.8 mt -81.69 115.18 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.641 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -81.8 157.92 24.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.479 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -70.65 145.14 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.525 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 103.19 -67.38 0.33 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.443 ' HG2' ' H ' ' B' ' 54' ' ' ARG . 3.0 mmt-85 -44.22 170.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.6 p -112.47 163.96 13.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 56.7 mt -61.81 -18.06 58.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.629 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.522 ' C ' ' H ' ' B' ' 59' ' ' TYR . 11.0 t -72.06 -34.99 69.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.606 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.44 ' C ' ' CD1' ' B' ' 59' ' ' TYR . 6.6 m-20 -73.16 28.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.584 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.522 ' H ' ' C ' ' B' ' 57' ' ' SER . 81.4 m-85 -151.79 -4.52 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.525 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 54.1 t30 65.29 23.46 12.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.0 94.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.446 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.28 -159.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.657 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -83.41 160.18 21.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.737 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 58.5 35.35 24.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.736 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.3 m -89.66 134.99 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.478 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -94.16 95.32 8.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.497 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.07 126.19 32.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.62 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -84.78 100.02 11.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.423 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.9 97.89 8.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.406 HG21 HD12 ' B' ' 44' ' ' ILE . 3.4 t -96.39 143.26 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.501 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 17.5 mt -96.98 81.08 3.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.565 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.523 ' NH2' ' O ' ' A' ' 517' ' ' ASP . 0.0 OUTLIER -164.84 111.7 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.543 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' B' ' 74' ' ' ARG . 17.4 tp -160.55 110.66 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.497 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' B' ' 73' ' ' LEU . 53.0 mtt180 -49.11 179.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.542 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.05 -103.02 2.95 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.745 0 CA-C-O 117.94 -1.478 . . . . 0.0 110.994 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -104.48 103.17 12.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.9 pt -94.97 158.86 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -120.29 145.15 47.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.776 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 53.5 t -121.79 108.16 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.365 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -89.79 120.64 31.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.583 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 43.1 p -77.78 156.42 30.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.608 ' O ' HD23 ' C' ' 8' ' ' LEU . 0.9 OUTLIER -66.54 -38.71 87.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.515 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 43.3 p -60.32 -68.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.649 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.0 83.09 0.05 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -172.5 165.69 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.506 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 8.2 m -141.35 130.89 23.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -118.49 128.27 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.662 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 7.1 m -101.95 125.5 48.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.423 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -128.96 139.45 52.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.732 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -88.07 94.29 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.398 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -114.37 -179.57 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.801 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.502 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.2 mt-10 -127.14 174.42 4.27 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.204 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.21 -22.11 14.79 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.761 2.308 . . . . 0.0 112.029 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 2.1 p -91.32 -9.51 44.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.53 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 18.9 m-20 -61.64 137.33 58.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.574 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 71.4 p -89.94 142.08 28.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.586 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mm -43.7 -54.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.423 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -45.23 -45.68 11.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 19.4 t-20 -58.93 -45.87 89.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.36 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.61 -53.04 46.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.247 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -50.43 -36.27 32.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.16 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -64.29 -43.41 94.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.397 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -61.57 -37.64 84.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.522 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.3 mt -67.3 -41.3 86.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.439 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.68 -38.65 85.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.57 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -71.58 -23.37 61.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -80.89 -58.31 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -96.8 -86.36 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.58 20.06 0.03 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.532 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 54.4 mt -87.37 116.52 66.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.71 0.29 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -46.88 135.37 17.66 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.654 2.236 . . . . 0.0 111.818 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.7 -61.9 0.53 Allowed 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.684 2.256 . . . . 0.0 112.008 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -39.66 -34.17 0.23 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.765 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -99.75 63.94 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.714 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 74.5 mt-30 -151.9 89.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.639 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -88.5 108.83 19.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.333 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -102.63 131.64 49.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 41.8 mt -129.29 132.23 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.245 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' C' ' 47' ' ' GLY . 50.1 t80 -101.45 70.21 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.755 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 46' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' C' ' 45' ' ' PHE . . . 31.31 35.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.782 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 47' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -160.16 -55.74 0.01 OUTLIER Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 50.7 mttm -155.74 176.85 12.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.643 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -86.59 157.44 19.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.619 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 19.6 mt -100.16 116.64 32.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.515 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -81.79 148.89 28.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.544 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -66.03 147.95 52.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.579 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 53' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 97.88 -61.32 0.97 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.644 ' HE ' ' N ' ' C' ' 54' ' ' ARG . 4.7 mmp_? -45.11 171.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 0.0 110.567 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.498 ' HG1' ' HG ' ' C' ' 57' ' ' SER . 33.9 p -115.84 165.47 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 83.9 mt -69.68 -4.71 20.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.652 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' SER . . . . . 0.498 ' HG ' ' HG1' ' C' ' 55' ' ' THR . 5.4 p -91.89 -16.52 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.54 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.49 -10.46 59.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.57 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -110.87 6.66 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.55 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 60.02 25.46 14.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.625 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.9 mt -73.11 117.37 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.442 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -95.09 -161.25 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -85.26 154.8 21.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 60.92 27.05 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.71 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -92.66 132.46 36.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -82.26 152.35 26.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.597 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mt -139.6 114.68 9.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.586 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -67.6 116.2 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.513 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 38.0 tp -106.05 128.76 54.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.617 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 t -133.03 119.52 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.441 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.577 ' O ' HD12 ' C' ' 71' ' ' LEU . 0.3 OUTLIER -92.85 166.89 12.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -100.51 83.99 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.402 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 73' ' ' LEU . . . . . 0.561 HD12 ' N ' ' C' ' 73' ' ' LEU . 10.1 mp 56.75 170.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.477 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -40.14 156.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.486 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 75' ' ' GLY . . . . . 0.454 ' C ' ' NZ ' ' B' ' 48' ' ' LYS . . . -153.63 -123.9 0.95 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 77.5 p -61.99 109.17 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.619 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -168.24 -39.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.575 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 19.6 pt -63.56 -11.32 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.598 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 3.6 t -51.49 -40.16 58.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.603 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 5.9 m -45.17 -60.5 2.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.638 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -57.13 -44.75 83.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -53.98 -71.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.61 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 21.2 mm -54.27 -50.28 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 24.4 tp -43.25 -54.35 4.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -52.25 -67.82 1.87 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 493' ' ' LEU . 10.4 mp -52.27 -22.24 4.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.767 0.318 . . . . 0.0 110.548 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 494' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 496' ' ' ALA . . . -60.4 -79.2 0.12 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 25.6 pt -58.09 -4.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 110.602 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.447 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -76.31 -54.01 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 42.8 m-85 -46.51 -35.4 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.526 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -51.81 -10.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -55.14 -60.68 8.38 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 31.2 t -158.86 -108.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.585 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -170.01 76.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.523 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -80.38 -175.45 5.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.625 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -103.75 2.29 32.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.554 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.28 -38.38 20.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.111 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.455 ' H ' HG23 ' A' ' 505' ' ' VAL . 2.7 t -43.11 -59.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.408 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.401 HD21 ' CE1' ' A' ' 534' ' ' PHE . 15.1 mt -73.71 -31.14 63.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.539 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -71.21 5.96 8.21 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.6 tp -136.08 -47.03 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 110.765 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.08 -53.97 17.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.901 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 514' ' ' ALA . 0.7 OUTLIER -48.26 -60.44 4.41 Favored Pre-proline 0 C--N 1.33 -0.273 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.535 -179.795 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.41 -51.74 8.36 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.56 2.173 . . . . 0.0 111.754 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.466 ' O ' HG22 ' A' ' 512' ' ' ILE . 96.7 mt -60.29 -12.8 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.483 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -141.14 30.73 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -155.06 -35.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.724 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 514' ' ' ALA . 87.3 p -30.42 -61.79 0.16 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.655 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 515' ' ' SER . 54.1 m -170.04 -52.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.543 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.435 ' O ' ' O ' ' A' ' 518' ' ' LEU . 57.9 m-20 -144.51 -84.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.473 HD11 ' OG ' ' A' ' 515' ' ' SER . 16.4 mt 59.18 148.23 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.434 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.74 123.08 4.53 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.828 2.352 . . . . 0.0 111.904 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 62.1 mt -72.39 -21.93 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.526 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -58.96 -48.73 80.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.558 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 68.4 p -79.66 -44.57 20.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.604 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -59.68 -10.95 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.553 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.39 -62.23 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 66.7 mtt -62.23 -41.63 98.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -54.85 -57.22 12.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 87.8 p -52.76 -33.92 50.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 528' ' ' LEU . 0.2 OUTLIER -55.03 -62.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.474 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -51.38 -25.36 6.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 530' ' ' LEU . 1.5 tt -64.48 -63.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -57.72 -44.11 85.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.459 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 532' ' ' HIS . . . . . 0.519 ' HD1' ' C ' ' A' ' 532' ' ' HIS . 6.1 t-80 -45.82 -40.95 10.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.488 ' C ' ' H ' ' A' ' 535' ' ' VAL . 90.5 t -78.64 -58.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.557 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 534' ' ' PHE . . . . . 0.401 ' CE1' HD21 ' A' ' 506' ' ' LEU . 29.7 m-85 -72.08 16.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.561 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 536' ' ' GLY . 10.8 p -53.16 -42.72 47.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.547 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.539 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -70.83 -69.86 1.31 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.537 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 2.2 t -64.24 -170.79 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.828 0.347 . . . . 0.0 110.559 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.537 ' N ' ' OG1' ' A' ' 537' ' ' THR . 42.8 t -166.48 157.32 12.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -161.61 141.53 10.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.24 -42.99 93.91 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -42.66 -48.36 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.579 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 38.3 mt -59.9 -43.13 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.523 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 51.9 m -62.53 -49.94 73.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 548' ' ' ASP . 72.2 p -57.74 -43.46 85.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.435 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 24.2 p -63.95 -42.5 97.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.16 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.81 -29.84 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.301 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.4 tpt -70.92 -38.52 72.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.429 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 544' ' ' THR . 5.8 m-20 -63.2 -41.13 99.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.41 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -63.46 -36.24 83.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.581 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' PHE . . . . . 0.537 ' CE1' HD21 ' A' ' 566' ' ' LEU . 3.3 m-85 -60.07 -54.47 45.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.495 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.3 -36.93 82.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.691 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -82.29 29.37 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.569 HH12 ' CG ' ' A' ' 595' ' ' MET . 32.5 ptt180 -76.08 135.86 39.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.539 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.614 ' C ' ' H ' ' A' ' 556' ' ' ILE . 41.0 p -109.29 141.97 40.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -69.06 27.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.203 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.614 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.5 OUTLIER -75.75 -23.82 16.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.614 -179.828 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -74.12 -95.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.66 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 560' ' ' THR . 9.4 mt 60.98 170.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.525 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 45.2 mttp 57.04 -83.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.614 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 558' ' ' LEU . 15.0 t -64.34 150.66 45.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.587 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -81.72 167.05 19.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.408 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 9.4 p-90 -172.84 -19.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.7 p -72.92 -18.46 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.534 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -60.11 -66.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.535 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -63.95 -52.3 60.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.537 HD21 ' CE1' ' A' ' 550' ' ' PHE . 4.3 tp -45.93 -56.43 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -57.96 -53.0 63.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.495 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 25.9 tp -45.32 -54.29 7.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.48 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -46.87 -62.47 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 54.3 tp -50.34 -27.9 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.503 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -76.12 -76.74 0.79 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 572' ' ' ILE . . . . . 0.404 ' C ' ' N ' ' A' ' 574' ' ' TYR . 8.6 tp -43.77 -33.37 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.348 . . . . 0.0 110.566 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.9 tp -44.31 -23.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.404 ' N ' ' C ' ' A' ' 572' ' ' ILE . 75.1 m-85 -125.36 125.82 44.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.2 mtt -79.03 -102.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -83.77 -110.53 0.56 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 50.0 -163.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.811 0.338 . . . . 0.0 110.618 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.43 ' O ' ' OD1' ' A' ' 582' ' ' ASP . . . 174.1 -53.77 0.14 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -47.39 -50.61 22.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.579 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.59 -55.08 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 89.8 t -53.93 -49.22 60.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.604 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 578' ' ' GLY . 3.6 m-20 -45.07 -38.23 4.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.587 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -70.35 -43.33 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.584 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 92.3 t -52.95 -58.91 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.497 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 585' ' ' LEU . 10.7 mp -53.42 -46.87 69.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.473 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -48.64 -28.99 3.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.435 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 14.6 m -76.66 -41.59 45.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.513 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.19 -34.43 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.548 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.1 m -77.02 -33.99 57.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' C' ' 47' ' ' GLY . . . -58.45 -61.4 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.563 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 18.8 tt -80.58 165.4 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -40.46 144.46 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.683 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.502 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 6.9 p-80 -165.73 74.65 1.31 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 -66.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 123.036 2.491 . . . . 0.0 111.94 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.569 ' CG ' HH12 ' A' ' 553' ' ' ARG . 10.6 ptp -83.25 -42.5 17.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.565 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.418 HG23 HH22 ' A' ' 553' ' ' ARG . 66.7 p -49.33 -14.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.548 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 597' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 595' ' ' MET . 94.3 p -55.61 -24.4 33.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.569 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.38 -33.75 76.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.527 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 13.4 mt -77.26 -56.34 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.413 ' O ' ' OE2' ' A' ' 600' ' ' GLU . 3.1 tm-20 -45.71 -40.25 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.632 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 601' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 597' ' ' SER . 70.4 t -70.48 -43.95 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.568 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.01 -74.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.57 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 76.0 t -52.59 -19.9 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.553 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.26 -54.87 32.83 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 68.7 m -72.41 -58.03 3.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.578 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 27.4 p -79.03 121.25 24.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 608' ' ' TYR . . . -175.0 -67.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.608 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 608' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 610' ' ' GLY . 14.4 m-85 -59.5 -147.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 58.3 p -48.24 88.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.606 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 608' ' ' TYR . . . -86.94 -99.42 0.83 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 19.6 p 46.84 75.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.543 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.753 0 CA-C-O 118.015 -1.436 . . . . 0.0 110.925 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.411 ' N ' ' O ' ' B' ' 17' ' ' VAL . 22.8 ttp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -93.66 117.85 30.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.698 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.499 HG12 HG22 ' B' ' 17' ' ' VAL . 6.2 pt -126.42 153.64 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.561 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -111.2 154.39 24.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 54.1 t -131.35 103.51 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.193 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -86.3 121.11 28.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.681 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.0 p -89.02 151.37 22.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.352 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.415 HD21 ' CG1' ' A' ' 512' ' ' ILE . 2.6 tp -70.78 50.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.5 p -146.33 -37.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.461 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.96 -12.75 3.62 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -87.19 137.28 32.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.601 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -123.51 124.79 43.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -96.29 173.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.687 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.504 ' C ' HD12 ' B' ' 15' ' ' LEU . 11.5 m -143.94 101.62 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.337 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.504 HD12 ' C ' ' B' ' 14' ' ' THR . 8.6 mp -105.17 137.97 42.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.855 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -94.7 83.04 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.267 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.541 HG21 HD13 ' B' ' 56' ' ' LEU . 10.9 m -99.78 -165.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.536 ' C ' ' H ' ' B' ' 20' ' ' SER . 38.6 mt-10 -145.68 145.22 24.8 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.3 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.68 -7.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.826 2.351 . . . . 0.0 112.277 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.536 ' H ' ' C ' ' B' ' 18' ' ' GLU . 1.4 p -97.74 -39.85 8.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.791 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.419 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 5.9 m-20 -41.23 146.13 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.676 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.514 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.9 p -93.73 145.41 24.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.558 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.7 mm -47.0 -53.33 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.533 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -48.24 -44.63 33.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.442 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -59.2 -40.14 84.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.355 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.14 -47.33 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.272 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -54.92 -35.84 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.347 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.14 -50.38 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.45 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -55.33 -34.61 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.492 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 14.8 mt -70.74 -49.79 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.401 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.582 ' O ' ' NE2' ' B' ' 31' ' ' GLN . 1.4 tm0? -53.97 -26.51 26.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.449 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -81.26 -36.02 30.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -70.96 -58.72 3.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -85.65 -86.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.522 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.402 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 162.26 5.46 0.05 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.402 ' H ' ' H ' ' B' ' 35' ' ' GLY . 37.6 mt -79.42 133.28 60.19 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.7 0.286 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.34 143.0 34.39 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.579 2.186 . . . . 0.0 111.948 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.24 -67.4 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.844 2.363 . . . . 0.0 112.024 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -43.07 -19.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.661 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' B' ' 38' ' ' PRO . 32.0 mm-40 -109.21 57.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.643 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -155.64 163.82 39.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.487 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -159.64 93.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.98 126.83 31.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.57 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mt -130.44 131.79 65.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.508 ' O ' ' HB3' ' B' ' 46' ' ' ALA . 90.9 t80 -139.94 122.87 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.471 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 69.19 48.23 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.33 43.08 51.21 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.465 ' CB ' ' NZ ' ' B' ' 48' ' ' LYS . 4.9 ttpm? -152.69 128.25 10.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.786 0.327 . . . . 0.0 110.571 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.446 ' OE1' ' NH1' ' B' ' 72' ' ' ARG . 49.5 tt0 -77.82 143.53 37.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.7 mt -93.91 126.63 39.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.638 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -84.15 158.23 21.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.6 158.37 29.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.505 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.85 -60.18 4.2 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.436 ' H ' ' HG2' ' B' ' 54' ' ' ARG . 7.4 mmt-85 -47.06 167.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.535 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.514 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 44.7 p -106.92 173.69 6.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.51 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.541 HD13 HG21 ' B' ' 17' ' ' VAL . 61.4 mt -75.96 1.91 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.0 t -95.67 -42.92 8.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.547 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.88 -35.08 22.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.499 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -90.22 -8.27 51.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' B' ' 60' ' ' ASN . 0.8 OUTLIER 68.37 41.61 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.712 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 80.9 mt -80.65 103.2 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.372 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -78.2 -163.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -86.48 160.74 18.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.796 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 60.53 37.34 19.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.816 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -94.73 134.74 36.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.436 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -91.8 86.93 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.431 ' N ' HD12 ' B' ' 67' ' ' LEU . 9.8 mp -69.5 112.13 5.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -75.96 101.13 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.493 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 tp -84.37 94.46 8.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.393 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.57 ' C ' HD12 ' B' ' 71' ' ' LEU . 1.9 t -98.21 149.89 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.57 HD12 ' C ' ' B' ' 70' ' ' VAL . 10.2 mp -111.8 72.39 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.487 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.446 ' NH1' ' OE1' ' B' ' 49' ' ' GLN . 18.8 mtm180 -70.03 174.4 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.611 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 22.9 mt 57.15 172.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.594 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.406 ' H ' ' H ' ' B' ' 75' ' ' GLY . 30.1 ptt180 -167.53 1.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.551 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.406 ' H ' ' H ' ' B' ' 74' ' ' ARG . . . 64.84 -85.07 0.07 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.744 0 CA-C-O 117.953 -1.47 . . . . 0.0 110.918 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -108.04 114.55 28.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.516 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -106.32 153.68 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.548 ' CE2' ' OG1' ' C' ' 14' ' ' THR . 55.7 m-85 -104.52 144.42 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.665 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.427 HG22 ' HB2' ' C' ' 67' ' ' LEU . 21.5 t -121.9 106.42 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.263 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -90.52 125.78 35.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.67 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 13.9 p -94.35 144.14 25.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.466 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.565 ' O ' HD23 ' C' ' 8' ' ' LEU . 0.8 OUTLIER -53.89 -32.75 54.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.469 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 27.0 p -55.81 -81.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.518 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.7 66.86 0.04 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -173.41 151.9 2.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.773 0.32 . . . . 0.0 110.51 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -121.36 153.78 37.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.476 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -135.11 131.88 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.688 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' THR . . . . . 0.548 ' OG1' ' CE2' ' C' ' 4' ' ' PHE . 3.5 m -100.72 119.52 38.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.407 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -121.82 137.22 54.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.793 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -85.5 111.11 19.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.321 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 m -132.35 169.57 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.751 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.654 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 99.0 mt-10 -125.04 147.9 58.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.404 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.53 -20.22 0.56 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.773 2.315 . . . . 0.0 112.06 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.59 17.59 18.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.669 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.654 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 20.0 m-20 -89.0 131.96 34.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.527 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.5 p -82.96 141.09 32.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.641 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 33.0 mm -45.76 -49.22 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.385 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -52.37 -37.22 55.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.372 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -64.16 -45.3 89.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.301 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.31 -48.39 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.261 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -53.3 -40.71 64.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.292 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.82 -45.02 95.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.357 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -58.0 -41.25 82.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.373 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.2 mt -65.48 -37.31 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.447 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -63.2 -32.74 74.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.415 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -76.18 -27.78 57.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -80.03 -63.04 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -87.58 -99.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.574 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.95 28.25 0.02 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 30.4 mt -97.38 100.11 7.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.701 0.286 . . . . 0.0 110.519 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.94 140.15 7.29 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.734 2.289 . . . . 0.0 111.984 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.544 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.65 -41.39 24.24 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.783 2.322 . . . . 0.0 111.892 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.24 20.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.544 ' H ' ' C ' ' C' ' 38' ' ' PRO . 21.1 mt-30 -151.82 54.7 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.526 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -144.87 155.44 43.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.696 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -146.67 96.05 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.396 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.8 mt -91.98 124.34 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.74 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 37.5 mt -122.23 135.53 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.297 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' PHE . . . . . 0.541 ' O ' ' N ' ' C' ' 47' ' ' GLY . 71.9 t80 -149.15 -80.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.694 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 46' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' C' ' 48' ' ' LYS . . . -63.06 67.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.466 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 47' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 42.86 18.0 0.04 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 48' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' C' ' 46' ' ' ALA . 55.0 mttm -156.79 -177.26 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.903 0.382 . . . . 0.0 110.708 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -91.66 156.79 17.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.589 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.09 115.41 27.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.523 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -66.59 154.88 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.604 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.8 115.59 21.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.6 -57.36 0.69 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.406 ' H ' ' HG2' ' C' ' 54' ' ' ARG . 13.3 mmt85 -51.89 174.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.457 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 30.7 p -115.27 166.59 11.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.613 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.18 -15.53 63.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 6.8 p -79.67 -23.81 42.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.04 -37.89 72.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' C' ' 60' ' ' ASN . 74.4 m-85 -90.33 22.86 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 60' ' ' ASN . . . . . 0.496 ' O ' ' NE2' ' C' ' 62' ' ' GLN . 18.5 p30 42.87 30.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.653 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 60.2 mt -72.51 113.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.437 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.542 ' CD ' ' H ' ' C' ' 62' ' ' GLN . 12.4 mp0 -83.41 -161.89 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.644 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -87.56 157.34 19.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.668 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 58.46 31.0 20.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.818 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 18.2 m -84.91 139.61 31.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.517 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 66' ' ' THR . . . . . 0.46 ' C ' HD12 ' C' ' 67' ' ' LEU . 9.2 m -88.85 122.54 32.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.599 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 67' ' ' LEU . . . . . 0.46 HD12 ' C ' ' C' ' 66' ' ' THR . 9.5 mp -107.91 117.01 33.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.512 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -76.08 98.6 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.474 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 55.0 tp -91.34 136.73 32.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.712 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -145.15 125.84 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.464 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.894 ' H ' HD23 ' C' ' 71' ' ' LEU . 1.3 pt? -110.07 164.94 12.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -59.52 -68.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 76.9 mt -141.09 -170.38 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -49.08 134.24 17.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.634 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.16 162.74 31.62 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 52.0 m -77.46 -33.11 54.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.541 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -80.5 113.98 19.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.523 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 13.9 tt -47.29 -23.61 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 49.8 m -67.67 -53.86 24.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 14.6 t -45.45 -69.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -48.75 -50.33 34.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.7 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -47.34 -69.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.634 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 31.4 mm -55.73 -32.88 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.69 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 5.8 tp -61.77 -73.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.477 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -52.77 -39.49 55.32 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 5.0 tp -66.57 -38.39 86.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.786 0.327 . . . . 0.0 110.495 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.67 65.1 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 495' ' ' ILE . 95.8 mt -70.67 -11.49 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 0.0 110.546 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 493' ' ' LEU . . . -72.85 -74.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.626 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 53.3 p90 -79.41 21.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.623 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -41.02 -69.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.49 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -107.99 93.54 0.82 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 37.3 t -152.63 -53.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 110.528 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 35.7 tttp 61.08 55.25 3.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.488 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 7.3 t-20 -85.82 -144.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.447 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 503' ' ' ASP . . . . . 0.488 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 6.2 p-10 -124.21 -15.37 6.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 504' ' ' GLU . . . . . 0.449 ' OE2' ' NZ ' ' B' ' 6' ' ' LYS . 16.2 mm-40 -85.86 -19.4 30.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.455 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.434 HG23 ' H ' ' A' ' 505' ' ' VAL . 2.7 t -58.02 -48.91 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.495 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.414 HD22 HD21 ' A' ' 530' ' ' LEU . 5.6 mt -92.14 -19.91 21.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.559 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.464 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -71.24 -12.57 72.52 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.464 HD12 ' C ' ' A' ' 507' ' ' GLY . 7.5 mp -119.32 -39.39 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.584 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 509' ' ' LEU . 97.1 mt -69.52 -61.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.624 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 45.1 tp -42.27 -60.54 2.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.74 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.624 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.87 -57.58 2.21 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.523 2.149 . . . . 0.0 111.747 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 72.7 mt -45.55 -22.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -132.77 31.52 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.505 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.531 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -150.86 -36.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.587 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.531 ' C ' ' O ' ' A' ' 514' ' ' ALA . 5.9 p -28.15 -60.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.681 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.507 ' N ' ' OG ' ' A' ' 515' ' ' SER . 43.8 m -166.92 -85.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.636 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -139.52 56.46 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.37 152.75 95.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.385 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' PRO . . . . . 0.443 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -43.77 128.2 6.71 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.932 2.421 . . . . 0.0 112.079 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.401 ' CG1' ' OE2' ' A' ' 557' ' ' GLU . 19.5 pt -73.71 15.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 519' ' ' PRO . 41.1 mt-10 -85.48 -48.06 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.568 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 4.5 t -97.64 -20.01 17.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.583 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.22 85.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -53.31 -65.76 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 61.1 mtt -52.5 -49.31 65.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.538 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -46.68 -65.4 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.9 t -44.66 -41.65 6.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.658 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.3 tt -56.27 -62.5 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.07 -36.29 12.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 530' ' ' LEU . 2.0 tt -59.19 -61.34 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -59.74 -38.39 81.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -45.32 -49.89 12.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.544 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.443 ' C ' ' H ' ' A' ' 535' ' ' VAL . 91.4 t -76.58 -58.44 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -77.44 31.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.443 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.4 p -63.37 -27.66 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.566 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -74.09 -83.88 0.32 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 8.0 t -72.5 -168.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.437 ' N ' ' OG1' ' A' ' 537' ' ' THR . 8.3 p -174.74 -172.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.569 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.516 ' ND2' ' OD2' ' A' ' 541' ' ' ASP . 47.9 t30 -162.49 167.86 22.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.56 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.25 -48.99 9.94 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 541' ' ' ASP . . . . . 0.516 ' OD2' ' ND2' ' A' ' 539' ' ' ASN . 5.9 m-20 -45.1 -48.29 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.552 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 88.0 mt -54.26 -38.06 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.6 m -75.88 -56.7 4.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.415 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 77.9 p -43.33 -55.16 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.65 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 545' ' ' SER . . . . . 0.41 ' OG ' ' CD1' ' C' ' 73' ' ' LEU . 12.8 m -58.54 -46.41 86.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -32.68 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.472 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 74.5 mmm -72.59 -36.17 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.45 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 544' ' ' THR . 14.2 m-20 -57.66 -39.83 77.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.307 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -69.19 -44.67 71.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.399 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -44.34 -61.41 1.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.36 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 551' ' ' LEU . 10.8 mp -52.91 -54.29 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.31 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.591 ' O ' ' O ' ' A' ' 553' ' ' ARG . 77.1 mt-10 -71.63 43.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.337 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.654 ' CG ' ' H ' ' A' ' 554' ' ' THR . 17.5 ttm180 -43.99 -177.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.904 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.722 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER -157.79 -80.0 0.07 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 33.99 24.62 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -177.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.722 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.4 tp -102.3 3.82 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.602 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 557' ' ' GLU . 3.0 pp20? -136.61 10.65 3.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.313 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.452 ' HG ' ' H ' ' A' ' 560' ' ' THR . 6.3 tp -160.67 141.78 11.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.437 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -133.17 8.65 4.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.452 ' H ' ' HG ' ' A' ' 558' ' ' LEU . 24.8 m -67.73 -76.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.534 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 3.2 p30 -161.58 137.84 8.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.615 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -160.44 -51.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.591 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.3 p -48.38 -19.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.629 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -77.37 -38.82 49.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.545 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -66.57 -51.6 54.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.598 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.0 mp -55.13 -62.93 1.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.505 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -44.17 -48.59 9.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.634 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 13.8 tp -52.8 -71.38 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -45.7 -76.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.552 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 570' ' ' LEU . 53.7 tp -45.01 -21.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.528 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -76.31 -77.17 0.77 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 8.5 mm -67.47 -2.04 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 110.539 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 17.9 tp -41.29 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.555 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -65.26 -171.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.519 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.1 ttt -152.19 -43.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 176.01 126.39 0.95 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -156.26 -61.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.525 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.533 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . 172.99 -148.21 10.27 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 579' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 582' ' ' ASP . 44.2 mt-10 -62.24 3.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.318 . . . . 0.0 110.702 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.533 ' H ' ' C ' ' A' ' 578' ' ' GLY . 8.2 mp0 -41.21 -51.16 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.519 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 68.8 t -53.43 -37.36 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 579' ' ' GLU . 10.5 t70 -56.91 -46.2 82.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.2 -51.61 67.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.664 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 54.6 t -44.47 -62.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 8.4 mp -47.14 -56.96 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.61 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -40.15 -54.76 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.632 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.49 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 16.1 m -50.85 -61.74 2.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.8 mt -42.61 -47.17 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.549 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 4.4 t -68.16 -35.17 77.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.543 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 587' ' ' THR . . . -46.97 -39.26 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.499 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.424 ' O ' ' O ' ' A' ' 592' ' ' GLU . 4.5 mt -92.92 143.26 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.541 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 591' ' ' ILE . 24.4 mt-10 -60.02 -144.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.602 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.401 ' C ' ' H ' ' A' ' 595' ' ' MET . 15.4 m-70 62.81 79.06 0.27 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.536 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.02 29.66 0.36 Allowed 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.9 2.4 . . . . 0.0 111.95 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.401 ' H ' ' C ' ' A' ' 593' ' ' HIS . 15.8 mmt -86.15 -49.09 8.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.488 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 1.8 t -69.78 -3.81 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 15.5 p -43.1 -26.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.605 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -63.05 -50.06 72.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.595 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.57 -27.65 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.644 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -62.48 -51.75 66.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 82.0 t -61.79 -38.23 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.586 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 34.6 tp -54.08 -74.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.485 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 606' ' ' CYS . 59.8 t -54.18 -38.19 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.531 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -54.7 -51.4 52.83 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 21.1 m -54.83 -49.11 71.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.309 . . . . 0.0 110.528 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 606' ' ' CYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 607' ' ' ALA . 29.1 t -80.55 119.14 22.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.502 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 606' ' ' CYS . . . 174.18 -177.28 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -73.09 -4.61 33.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.543 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 21.9 p -58.94 148.45 30.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 167.86 -101.55 0.18 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 18.5 m -47.63 113.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 110.57 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.813 0 CA-C-O 117.95 -1.472 . . . . 0.0 110.958 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -96.67 102.5 14.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.525 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.405 HG12 HG22 ' B' ' 17' ' ' VAL . 14.3 pt -96.7 151.07 4.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.582 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -105.35 151.78 23.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.537 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 t -130.19 103.12 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.354 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.449 ' NZ ' ' OE2' ' A' ' 504' ' ' GLU . 29.0 ttpt -86.14 126.02 33.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.591 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p -90.44 163.97 14.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.514 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tp -78.98 51.14 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 41.6 p -151.01 -40.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.26 -11.22 2.77 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -82.61 138.24 34.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.797 0.332 . . . . 0.0 110.617 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.4 m -123.13 125.89 46.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.559 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -107.55 149.99 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.638 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -119.24 132.1 55.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.398 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.6 mt -132.14 133.73 44.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -85.43 79.78 9.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.409 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.405 HG22 HG12 ' B' ' 3' ' ' ILE . 4.1 m -97.99 -177.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.541 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 3.1 mt-10 -128.75 175.48 3.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.3 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.72 -24.16 13.73 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.771 2.314 . . . . 0.0 112.034 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -92.45 5.27 51.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.414 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.541 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 15.2 m-20 -75.68 135.42 40.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.581 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 4.0 p -87.09 143.75 27.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.686 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.2 mm -46.97 -53.63 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.368 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -48.29 -37.95 17.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.333 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.482 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 14.0 t-20 -63.46 -47.96 79.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.174 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.1 t -56.82 -52.45 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.16 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -51.91 -32.44 32.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.148 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -66.85 -44.28 81.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.273 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -62.97 -32.69 74.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.362 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 11.6 mt -72.37 -37.57 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.493 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -65.0 -39.24 93.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.46 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -71.12 -29.32 65.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -76.15 -59.86 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.624 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -90.93 -96.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.595 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 170.6 18.68 0.02 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.48 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 57.5 mt -93.64 102.92 8.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.624 0.25 . . . . 0.0 110.482 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.42 142.54 6.47 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.634 2.223 . . . . 0.0 111.867 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' B' ' 39' ' ' ASP . 2.7 Cg_endo -46.16 -66.4 0.15 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.792 2.328 . . . . 0.0 112.01 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' B' ' 38' ' ' PRO . 17.0 m-20 -38.47 -32.8 0.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -96.66 59.78 1.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.621 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 60.0 mt-30 -155.8 163.26 40.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.558 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.463 ' CZ ' ' OE1' ' B' ' 49' ' ' GLN . 7.7 tpt180 -154.41 91.47 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.587 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.87 122.36 28.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.503 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.2 mt -128.44 135.27 62.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.484 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -143.36 133.76 24.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.77 30.74 18.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.532 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.06 37.45 87.41 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -144.92 129.83 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.522 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.463 ' OE1' ' CZ ' ' B' ' 42' ' ' ARG . 38.9 mt-30 -77.91 130.4 36.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 mt -83.92 100.13 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.565 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -62.31 154.17 28.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.607 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -73.21 128.01 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 119.6 -63.27 0.46 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' B' ' 53' ' ' GLY . 13.1 mmt85 -43.58 168.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.478 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 15.8 p -113.38 159.58 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.4 mt -63.25 -4.08 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.491 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.5 t -90.95 -19.63 23.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.55 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.83 -36.47 50.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.572 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -88.35 6.6 36.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.538 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 60.61 18.39 8.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.21 111.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -86.45 -161.4 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.665 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -86.4 160.21 19.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.759 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 58.66 24.84 12.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.821 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -79.95 133.81 36.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.397 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -87.03 99.89 12.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.681 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.468 ' N ' HD12 ' B' ' 67' ' ' LEU . 10.8 mp -83.06 114.27 21.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.451 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -76.97 108.29 9.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.741 ' C ' HD23 ' B' ' 69' ' ' LEU . 5.9 tt -92.48 115.78 28.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.381 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.588 ' N ' HD23 ' B' ' 69' ' ' LEU . 1.0 OUTLIER -119.74 160.89 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' B' ' 72' ' ' ARG . 82.3 mt -97.03 163.23 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 10.7 ttt-85 78.16 154.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.692 ' H ' HD23 ' B' ' 73' ' ' LEU . 0.7 OUTLIER -157.7 -168.82 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.653 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -51.79 124.82 13.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.512 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -47.44 173.03 0.03 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.777 0 CA-C-O 118.054 -1.415 . . . . 0.0 110.897 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ptt? . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -96.36 111.39 23.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -103.76 148.75 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -103.91 131.44 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.597 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 54.4 t -112.25 112.96 42.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -91.58 129.3 37.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.44 ' C ' ' H ' ' C' ' 9' ' ' THR . 45.9 p -94.65 145.27 24.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.613 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.73 43.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' THR . . . . . 0.44 ' H ' ' C ' ' C' ' 7' ' ' THR . 31.9 p -143.51 -20.74 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.599 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.66 58.45 0.49 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -163.37 124.22 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -102.15 157.31 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.607 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -143.2 133.29 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.655 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -98.72 128.17 44.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.398 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -131.17 129.07 41.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.708 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -80.32 98.56 7.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.372 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 m -122.71 165.25 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.732 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.616 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 28.5 mt-10 -123.07 147.92 52.98 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.353 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.5 -17.99 0.27 Allowed 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.805 2.337 . . . . 0.0 112.024 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.404 ' N ' ' O ' ' C' ' 18' ' ' GLU . 0.9 OUTLIER -100.66 19.06 17.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.616 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 9.5 m-20 -91.72 132.54 36.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.496 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 22' ' ' THR . . . . . 0.416 ' O ' ' N ' ' C' ' 25' ' ' ASN . 3.0 p -83.2 138.35 33.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.579 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -40.96 -56.04 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.563 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -47.83 -37.83 14.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.385 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ASN . . . . . 0.471 ' OD1' ' NZ ' ' C' ' 29' ' ' LYS . 19.8 t-20 -64.07 -42.23 97.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.183 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -62.19 -50.93 78.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.152 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' LYS . . . . . 0.421 ' HZ3' ' CB ' ' C' ' 41' ' ' GLN . 60.5 mttm -51.17 -41.23 60.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.252 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.43 98.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.343 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' LYS . . . . . 0.471 ' NZ ' ' OD1' ' C' ' 25' ' ' ASN . 58.5 mttp -58.85 -40.78 85.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.444 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 5.6 mt -65.64 -38.46 82.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.299 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -60.98 -37.14 81.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.22 -27.29 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -77.16 -59.29 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.491 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -95.56 -99.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.613 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' GLY . . . . . 0.4 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . -177.72 10.95 0.03 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 61.4 mt -81.23 125.89 78.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.591 0.234 . . . . 0.0 110.552 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.53 141.99 32.18 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.7 2.267 . . . . 0.0 111.905 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.48 -60.19 0.95 Allowed 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.881 2.387 . . . . 0.0 112.065 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -44.26 -14.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.786 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.537 ' N ' ' O ' ' C' ' 38' ' ' PRO . 11.4 mm100 -119.93 62.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.694 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.421 ' CB ' ' HZ3' ' C' ' 27' ' ' LYS . 58.9 mt-30 -156.87 143.08 18.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.728 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -136.07 102.23 4.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.235 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 mt -95.91 135.56 37.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.775 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.413 HG23 ' O ' ' C' ' 48' ' ' LYS . 13.7 mt -133.56 139.09 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.439 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 45' ' ' PHE . . . . . 0.573 ' O ' ' N ' ' C' ' 47' ' ' GLY . 79.0 t80 -137.75 161.84 35.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 46' ' ' ALA . . . . . 0.438 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . 48.44 -84.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.575 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 47' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -159.4 31.47 0.43 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 48' ' ' LYS . . . . . 0.413 ' O ' HG23 ' C' ' 44' ' ' ILE . 62.6 mttm -152.6 162.47 41.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 110.62 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -92.23 146.19 23.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.494 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.52 131.18 34.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.631 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -91.04 150.11 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.678 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.81 100.69 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.59 -61.38 0.45 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.421 ' H ' ' HG2' ' C' ' 54' ' ' ARG . 23.9 mmt180 -49.66 171.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.441 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 12.0 p -110.21 167.11 10.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.4 -22.4 66.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.639 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 7.1 p -74.62 -12.64 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.582 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -87.16 -2.92 58.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -123.85 12.04 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.587 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 9.7 m120 55.31 27.76 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.605 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -76.74 99.8 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.523 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -76.59 -170.68 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.609 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 63' ' ' LYS . . . . . 0.45 ' NZ ' ' CB ' ' C' ' 63' ' ' LYS . 0.3 OUTLIER -77.54 159.26 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.725 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 56.21 29.46 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.756 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 58.0 m -85.68 137.78 32.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 28.6 m -93.5 109.54 21.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.595 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mp -93.68 165.72 12.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -113.66 103.28 11.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 42.8 tp -96.44 130.75 43.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.448 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.91 134.02 60.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.514 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 mt -82.13 161.56 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.565 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 72' ' ' ARG . . . . . 0.414 ' HD3' HE22 ' C' ' 40' ' ' GLN . 72.1 ttt180 -73.92 -51.16 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 73' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' C' ' 74' ' ' ARG . 16.8 tp -174.51 105.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.506 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 74' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' C' ' 73' ' ' LEU . 38.2 ttm-85 54.98 109.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.59 144.36 45.98 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 23.6 m -46.51 134.16 9.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.553 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -65.82 101.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.532 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 16.6 tt -53.33 -31.27 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 6.0 m -50.9 -21.05 1.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.55 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 14.7 t -76.57 -56.5 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -66.07 -20.86 66.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.496 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -71.61 -64.25 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 5.0 mm -52.41 -39.36 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.545 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 11.5 tp -55.44 -69.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -53.86 -55.16 27.05 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.529 ' O ' ' CE1' ' A' ' 497' ' ' PHE . 6.0 tp -48.45 -44.23 35.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.543 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.3 -39.4 71.84 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 495' ' ' ILE . 72.5 mt -91.09 -6.44 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.66 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.415 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -72.45 -64.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.565 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.529 ' CE1' ' O ' ' A' ' 493' ' ' LEU . 47.5 p90 -78.31 24.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -38.65 -68.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.45 97.6 1.12 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 36.2 p -171.35 -48.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 110.599 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 51.8 mttp 55.81 77.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.659 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.445 ' C ' ' H ' ' A' ' 504' ' ' GLU . 4.6 m-20 -110.99 143.61 41.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.502 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.28 -1.13 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.512 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 504' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 502' ' ' ASN . 31.3 tt0 -86.32 -47.35 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.431 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 24.6 t -44.09 -58.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.446 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 508' ' ' LEU . 22.0 mt -66.17 -48.11 71.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.54 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' B' ' 68' ' ' HIS . . . -43.27 -16.26 0.03 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 506' ' ' LEU . 36.1 tp -118.45 -42.83 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.97 -44.92 87.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.75 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.543 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 6.9 mt -50.08 -65.9 0.76 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.633 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.7 -55.44 3.57 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.66 2.24 . . . . 0.0 111.836 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 61.3 mt -45.98 -26.17 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.515 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -135.82 31.57 3.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.528 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -151.9 -35.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.771 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 514' ' ' ALA . 10.3 t -27.36 -75.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.693 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 515' ' ' SER . 1.2 m -169.4 -46.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -132.16 -97.57 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.622 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 12.8 mt 61.05 146.79 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.467 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.96 117.48 1.57 Allowed 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.832 2.355 . . . . 0.0 112.016 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.431 HG21 ' OG1' ' A' ' 554' ' ' THR . 18.5 pt -66.98 -20.12 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.543 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -70.69 -66.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 66.8 p -57.93 -37.83 74.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.79 89.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.584 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -49.01 -37.71 21.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.522 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 15.5 ttt -70.81 -37.37 73.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.565 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.81 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.562 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 24.5 p -55.81 -41.21 73.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.468 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.5 tt -50.42 -66.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -50.36 -37.27 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.479 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.3 tt -55.28 -59.51 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.488 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -64.9 -36.82 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -46.28 -43.75 15.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.546 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.416 ' C ' ' H ' ' A' ' 535' ' ' VAL . 88.8 t -85.26 -46.82 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -75.25 14.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 531' ' ' ALA . 7.1 p -53.72 -21.42 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.73 -102.56 0.31 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 4.4 t -62.86 -169.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.579 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.502 ' N ' ' OG1' ' A' ' 537' ' ' THR . 20.2 p -162.96 177.5 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -161.37 167.36 25.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 540' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 543' ' ' THR . . . -81.15 -49.57 5.51 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -43.0 -35.99 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.484 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.07 -36.64 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.578 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 540' ' ' GLY . 90.2 m -81.47 -57.81 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 543' ' ' THR . 82.1 p -39.56 -41.41 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 2.4 p -73.32 -57.56 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.333 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -30.38 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.462 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 547' ' ' MET . . . . . 0.528 ' SD ' ' CD1' ' C' ' 8' ' ' LEU . 22.3 ttm -72.26 -45.22 61.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.553 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -48.95 -42.29 36.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.382 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -67.81 -46.05 72.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -46.6 -43.21 17.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 48.1 mt -64.88 -64.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.42 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' A' ' 553' ' ' ARG . 8.7 mm-40 -83.34 33.88 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.355 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.508 ' O ' ' O ' ' A' ' 552' ' ' GLU . 30.1 ptt180 -53.76 -119.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.959 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.669 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 176.51 -73.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 35.1 26.19 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -177.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.669 ' N ' ' O ' ' A' ' 554' ' ' THR . 2.0 tp -104.03 10.74 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.71 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -86.86 -26.49 23.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.53 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 558' ' ' LEU . 3.7 mm? 56.43 91.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.627 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.434 ' CG ' ' H ' ' A' ' 560' ' ' THR . 15.2 tptm -174.02 -130.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.434 ' H ' ' CG ' ' A' ' 559' ' ' LYS . 64.9 p -48.17 174.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.54 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -77.02 -178.1 4.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.539 ' CE3' ' N ' ' A' ' 563' ' ' VAL . 40.3 p-90 -173.24 -55.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.539 ' N ' ' CE3' ' A' ' 562' ' ' TRP . 11.5 p -42.13 -39.84 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.569 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' ARG . . . . . 0.49 ' N ' HG13 ' A' ' 563' ' ' VAL . 13.6 mmm180 -51.73 -61.76 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 568' ' ' LEU . 95.9 m-85 -49.18 -59.79 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.636 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 566' ' ' LEU . 11.0 mp -43.36 -55.58 4.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.493 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -56.58 -24.97 51.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 568' ' ' LEU . . . . . 0.486 HD23 ' C ' ' A' ' 568' ' ' LEU . 1.7 tt -62.94 -67.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.631 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -60.46 -70.85 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 58.4 tp -41.66 -25.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -77.69 -78.19 0.79 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 14.0 mm -58.24 -9.77 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.596 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 17.6 tp -48.6 -71.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -81.5 -171.81 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 18.4 ttt -164.3 -56.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.611 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 158.05 121.43 0.65 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -172.94 6.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.627 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.736 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 159.99 72.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 579' ' ' GLU . . . . . 0.582 ' C ' ' O ' ' A' ' 578' ' ' GLY . 66.4 mt-10 21.51 39.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.736 ' N ' ' O ' ' A' ' 578' ' ' GLY . 67.5 mt-30 -66.84 -56.8 8.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.464 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 34.9 t -54.06 -27.42 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.436 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.86 -53.66 43.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.451 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.26 -29.01 70.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 584' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 580' ' ' GLN . 78.5 t -64.16 -58.77 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.482 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 19.9 mt -50.03 -39.06 40.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.436 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -58.32 -34.76 70.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.473 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 590' ' ' ALA . 9.3 m -65.24 -56.07 14.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.437 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 8.3 mm -45.03 -39.04 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.37 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 7.6 t -72.41 -33.58 67.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -53.01 -32.14 44.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.476 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.444 ' O ' ' O ' ' A' ' 592' ' ' GLU . 11.5 pt -108.9 161.31 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 591' ' ' ILE . 23.4 mt-10 -59.93 -138.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.578 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 12.4 m80 64.68 74.65 0.4 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.556 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 -23.44 12.92 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.983 2.455 . . . . 0.0 111.941 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 56.6 mtm -63.45 -19.77 65.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 596' ' ' THR . 86.1 m -77.07 -12.76 59.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.662 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 25.6 t -44.79 -37.22 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -46.09 -58.16 3.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.87 -47.3 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -47.43 -51.12 21.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.541 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.81 -52.04 64.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.602 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.8 tp -45.55 -68.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.503 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 41.9 t -56.16 -30.06 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.66 -38.41 94.55 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 31.2 t -65.7 -64.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.742 0.306 . . . . 0.0 110.595 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 48.6 t -88.49 119.78 29.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 608' ' ' TYR . . . -171.41 143.32 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.529 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 608' ' ' TYR . . . . . 0.43 ' O ' ' O ' ' A' ' 607' ' ' ALA . 12.3 m-85 59.52 145.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 1.1 t -52.33 -20.02 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.569 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -74.61 128.28 10.26 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 611' ' ' THR . . . . . 0.417 ' O ' ' OXT' ' A' ' 612' ' ' GLY . 96.8 m -97.22 -54.81 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.506 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 612' ' ' GLY . . . . . 0.417 ' OXT' ' O ' ' A' ' 611' ' ' THR . . . . . . . . 0 C--O 1.22 -0.781 0 CA-C-O 118.05 -1.417 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -119.78 116.52 26.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.612 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.2 pt -110.61 154.39 12.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -108.94 155.4 20.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.643 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.3 t -133.06 106.65 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.235 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -77.76 128.77 34.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.577 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.52 ' C ' ' H ' ' B' ' 9' ' ' THR . 59.9 p -91.47 172.81 8.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.498 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.43 ' HA ' HD22 ' B' ' 8' ' ' LEU . 0.5 OUTLIER -69.33 12.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.558 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.539 ' O ' ' N ' ' B' ' 11' ' ' LYS . 49.0 p -145.97 173.85 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.409 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.54 68.92 0.02 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' B' ' 9' ' ' THR . 42.4 tttp -159.71 130.76 5.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.613 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.6 m -127.08 130.24 49.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.457 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 mt -102.5 136.04 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.688 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -112.68 125.18 54.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.321 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -127.34 148.48 50.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -91.03 106.64 18.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.204 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 m -127.65 165.16 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.631 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 48.3 mt-10 -124.76 149.9 63.96 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.319 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.65 -19.21 0.43 Allowed 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.86 2.373 . . . . 0.0 112.105 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.33 15.04 25.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.765 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.631 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 8.7 m-20 -87.47 135.06 33.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.482 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.421 ' O ' ' N ' ' B' ' 25' ' ' ASN . 3.2 p -85.87 137.99 32.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.657 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 31.8 mm -43.9 -48.32 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.316 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -53.84 -34.38 59.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.324 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.452 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 20.5 t-20 -67.11 -43.09 83.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.265 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.95 -49.13 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.267 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -54.55 -40.59 68.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.381 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.406 ' O ' ' OD1' ' B' ' 32' ' ' ASP . . . -60.4 -48.32 82.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.341 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.452 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 54.8 mttp -56.3 -40.06 73.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.363 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 12.1 mt -63.36 -44.78 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -57.18 -36.48 70.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.408 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 1.0 OUTLIER -72.38 -21.97 61.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.508 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -83.54 -58.25 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -97.06 -104.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.79 26.28 0.05 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.455 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 40.5 mt -99.06 97.62 5.39 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.613 0.244 . . . . 0.0 110.479 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -44.75 143.28 4.33 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.646 2.231 . . . . 0.0 112.003 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -45.92 -66.75 0.14 Allowed 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.843 2.362 . . . . 0.0 112.127 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' B' ' 38' ' ' PRO . 45.7 m-20 -37.49 -27.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' B' ' 38' ' ' PRO . 63.4 mm-40 -104.27 56.95 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.617 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -155.01 171.83 19.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.697 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.552 ' HE ' ' CG ' ' B' ' 49' ' ' GLN . 5.7 tpt180 -172.65 99.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.421 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -86.31 121.1 28.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.72 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.402 HD13 HG21 ' B' ' 44' ' ' ILE . 22.6 mt -117.73 148.27 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.538 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' B' ' 48' ' ' LYS . 77.4 t80 -151.25 123.67 8.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.558 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.96 39.28 10.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.94 -12.48 23.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' B' ' 45' ' ' PHE . 38.5 mmtm -84.82 105.91 15.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.741 0.305 . . . . 0.0 110.604 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.552 ' CG ' ' HE ' ' B' ' 42' ' ' ARG . 16.8 tt0 -79.85 127.4 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.437 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 mt -81.82 125.91 31.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.629 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -99.53 153.18 19.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.578 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.16 142.22 58.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.626 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 102.72 -69.81 0.32 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' B' ' 53' ' ' GLY . 8.9 mmt85 -42.38 169.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.641 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 44.2 p -115.86 166.46 11.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.562 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 mt -65.18 -20.42 66.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.619 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.6 p -73.29 -33.8 65.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.551 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -62.04 -36.14 80.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.594 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -88.74 8.39 29.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 54.99 24.77 6.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.731 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.2 mt -65.24 126.31 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.321 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -91.89 -172.15 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -87.88 160.71 17.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.711 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.05 31.84 21.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m -83.35 167.62 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.338 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.9 m -121.2 85.51 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.56 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.71 169.74 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.457 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 507' ' ' GLY . 32.5 m80 -126.2 107.26 10.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.446 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 15.7 tp -81.21 107.32 13.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.413 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.433 ' C ' HD12 ' B' ' 71' ' ' LEU . 1.6 t -119.08 146.73 23.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.512 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.9 mp -100.57 73.21 1.61 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' B' ' 73' ' ' LEU . 62.7 ttt180 -41.32 135.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.636 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' B' ' 72' ' ' ARG . 15.9 mt 47.23 -174.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.518 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 23.8 ptt-85 -162.27 146.19 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.585 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.17 -112.03 4.54 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.712 0 CA-C-O 117.967 -1.463 . . . . 0.0 110.965 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.403 ' N ' ' O ' ' C' ' 17' ' ' VAL . 17.2 ttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.06 101.34 5.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -109.11 152.12 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -107.67 145.97 32.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.629 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 38.4 t -132.05 102.88 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.372 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -78.36 160.87 27.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.66 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.53 ' C ' ' H ' ' C' ' 9' ' ' THR . 65.2 p -131.27 142.11 50.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.457 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.528 ' CD1' ' SD ' ' A' ' 547' ' ' MET . 0.9 OUTLIER -71.21 36.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.518 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 9' ' ' THR . . . . . 0.53 ' H ' ' C ' ' C' ' 7' ' ' THR . 69.2 p -135.57 -14.86 1.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.3 69.23 0.77 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -174.46 141.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.588 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -123.86 123.01 39.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mt -106.02 133.69 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.759 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -105.78 127.36 53.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.453 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 25.0 mt -127.96 132.1 49.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.747 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -86.98 79.23 8.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.483 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.437 HG21 ' CD1' ' C' ' 56' ' ' LEU . 17.5 m -97.93 -164.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.716 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.442 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.2 mt-10 -139.15 176.94 2.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.252 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -75.21 -26.8 10.25 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.795 2.33 . . . . 0.0 112.079 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.95 9.69 26.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.584 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -81.47 135.14 35.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.516 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 4.7 p -86.74 139.39 30.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.769 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 29.4 mm -43.33 -53.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.343 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -47.03 -40.88 15.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.324 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -62.31 -40.69 97.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.183 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.35 -49.26 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.216 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -53.2 -39.48 63.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.293 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.57 98.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.267 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -61.66 -33.58 74.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.287 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -72.68 -38.23 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.295 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -64.03 -32.53 74.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.65 -38.59 58.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.469 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -69.38 -62.32 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.522 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -86.17 -86.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.29 14.2 0.06 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.484 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 63.3 mt -84.83 120.7 74.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.663 0.268 . . . . 0.0 110.5 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -46.3 136.96 14.7 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.613 2.209 . . . . 0.0 111.877 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.46 -63.27 0.34 Allowed 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.734 2.289 . . . . 0.0 112.012 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -44.24 -32.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.778 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -92.58 54.98 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.718 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 60.4 mt-30 -155.86 93.41 1.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.563 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -87.82 109.44 19.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.439 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 74.3 mt -94.01 131.07 39.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.712 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 6.2 mt -128.94 142.26 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' PHE . . . . . 0.597 ' O ' ' N ' ' C' ' 47' ' ' GLY . 54.3 t80 -135.16 -177.87 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 46' ' ' ALA . . . . . 0.577 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -57.62 72.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.521 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 47' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 167.48 -64.25 0.2 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 48' ' ' LYS . . . . . 0.437 ' CG ' ' H ' ' C' ' 49' ' ' GLN . 6.5 ttmm -174.66 -146.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.616 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.437 ' H ' ' CG ' ' C' ' 48' ' ' LYS . 39.8 mt-30 -89.54 145.01 25.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.428 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -93.57 120.61 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -83.91 158.81 21.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.582 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.47 166.89 17.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 53' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 85.3 -65.16 4.06 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' C' ' 53' ' ' GLY . 1.1 mmt-85 -42.34 168.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 110.621 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 43.4 p -118.33 164.19 15.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.581 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.437 ' CD1' HG21 ' C' ' 17' ' ' VAL . 79.3 mt -66.44 -13.44 60.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.587 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 3.1 t -83.64 -23.75 31.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.33 -39.48 74.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -84.24 4.28 31.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 63.41 24.89 14.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 81.0 mt -71.13 104.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -82.74 -157.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.645 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -85.46 159.59 19.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.622 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 55.64 36.19 26.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.654 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 32.0 m -96.14 138.36 33.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -90.04 125.33 35.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -119.03 112.54 19.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -66.62 147.03 53.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.334 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 69' ' ' LEU . . . . . 0.742 ' C ' HD23 ' C' ' 69' ' ' LEU . 6.2 tt -141.9 120.0 12.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.391 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.628 ' N ' HD23 ' C' ' 69' ' ' LEU . 10.5 t -114.44 144.88 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.648 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' C' ' 73' ' ' LEU . 7.4 mt -93.35 113.64 25.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.576 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -59.53 80.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.486 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 73' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' C' ' 71' ' ' LEU . 0.5 OUTLIER 72.11 89.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.425 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 74' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' C' ' 73' ' ' LEU . 12.8 ptm180 35.57 -154.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.723 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.91 -179.43 42.12 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 2.6 t -159.02 7.65 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.604 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt 49.16 86.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.475 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 17.0 pt -63.19 -17.65 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.529 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 29.5 t -51.3 -42.67 61.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.494 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 5.0 m -47.84 -43.99 28.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -65.01 -45.72 84.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.557 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -48.54 -66.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.618 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.424 HG12 ' H ' ' A' ' 490' ' ' ILE . 9.8 mm -48.61 -41.04 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.6 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.44 HD13 ' C ' ' A' ' 491' ' ' LEU . 0.2 OUTLIER -53.85 -62.89 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.504 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -45.19 -56.9 5.86 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.457 ' O ' ' CE2' ' A' ' 497' ' ' PHE . 9.7 mp -56.99 -24.49 53.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.574 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -62.49 -65.99 2.85 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 495' ' ' ILE . 69.4 mt -64.96 -12.62 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 0.0 110.665 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -68.16 -51.86 41.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.619 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.539 ' C ' ' H ' ' A' ' 499' ' ' GLY . 16.4 m-85 -51.01 -39.84 56.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.627 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -56.04 -2.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.659 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -57.31 -71.4 0.75 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 27.7 t -163.37 37.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt 45.34 87.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -94.13 -174.73 3.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.529 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -99.87 -6.23 27.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.582 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -78.23 -18.09 55.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.026 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 497' ' ' PHE . 2.4 t -60.85 -75.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.43 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.9 mp -65.02 -21.71 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.561 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.502 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -58.44 -34.27 74.56 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.502 HD12 ' C ' ' A' ' 507' ' ' GLY . 9.2 mp -114.94 -34.58 5.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.73 0.3 . . . . 0.0 111.054 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 505' ' ' VAL . 4.0 mm? -65.4 -61.03 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.201 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.58 HD23 ' HE ' ' C' ' 74' ' ' ARG . 17.0 tp -43.39 -62.24 1.48 Allowed Pre-proline 0 C--N 1.33 -0.275 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.862 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.613 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.6 Cg_endo -46.37 -64.86 0.22 Allowed 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.459 2.106 . . . . 0.0 111.724 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.53 ' O ' HG22 ' A' ' 512' ' ' ILE . 79.6 mt -55.05 -5.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.545 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 511' ' ' PRO . . . -107.42 -21.81 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.757 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -167.73 37.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.1 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.613 ' N ' ' O ' ' A' ' 511' ' ' PRO . 21.2 t -49.34 -25.75 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.101 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.572 ' OG1' ' O ' ' A' ' 515' ' ' SER . 1.6 m 168.17 -47.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.278 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 517' ' ' ASP . 36.3 t0 -173.01 26.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.637 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' A' ' 519' ' ' PRO . 29.9 mt -52.18 155.5 3.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.398 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 519' ' ' PRO . . . . . 0.48 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.9 Cg_endo -43.86 178.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.934 2.423 . . . . 0.0 112.132 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' A' ' 521' ' ' GLU . 20.0 mt -105.62 -15.35 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 520' ' ' ILE . 91.5 mt-10 -45.97 -98.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.705 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 522' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 524' ' ' ALA . 19.8 p -62.09 -43.18 99.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.742 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 522' ' ' THR . . . -38.91 -31.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.613 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 524' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 522' ' ' THR . . . -77.35 -51.64 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.574 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 68.5 mtt -59.69 -55.54 33.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -49.57 -50.19 43.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.616 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 73.8 m -46.28 -48.31 18.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 528' ' ' LEU . 0.2 OUTLIER -53.08 -58.01 8.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.483 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.76 -41.59 15.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.667 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 530' ' ' LEU . 1.6 tt -56.21 -62.74 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -51.12 -45.38 61.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -44.49 -44.52 8.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.567 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 78.2 t -72.9 -58.84 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -81.99 32.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 536' ' ' GLY . 13.8 p -64.43 -36.13 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.532 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.416 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -84.91 -64.65 1.53 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 537' ' ' THR . 0.0 OUTLIER -76.28 122.85 25.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 10.2 t -99.62 176.92 5.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.409 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 25.0 m120 -160.68 172.76 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.536 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 540' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 544' ' ' THR . . . -91.17 -52.76 2.31 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -45.92 -60.62 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.639 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 71.5 mt -43.03 -51.2 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.616 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 45.3 m -60.73 -62.03 2.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.582 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 540' ' ' GLY . 81.9 p -41.9 -41.44 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.541 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 13.9 m -71.75 -63.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.263 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -44.7 -29.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.182 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.5 tpt -68.03 -51.57 45.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.285 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.474 ' CG ' ' O ' ' C' ' 72' ' ' ARG . 31.9 m-20 -47.03 -44.08 20.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.216 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -64.42 -37.88 89.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.281 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -57.28 -63.32 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.459 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 553' ' ' ARG . 10.7 mp -43.62 -61.57 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.298 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.616 ' O ' ' N ' ' A' ' 554' ' ' THR . 47.9 mm-40 -72.66 37.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.248 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.509 ' H ' ' C ' ' A' ' 551' ' ' LEU . 23.7 ttt180 -32.18 -30.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.704 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.3 OUTLIER 57.67 -82.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.451 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 553' ' ' ARG . . . 37.22 20.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.252 0.548 . . . . 0.0 109.666 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.704 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.3 tp -99.02 -2.82 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.541 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -95.8 -62.4 1.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.436 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.612 ' N ' HD12 ' A' ' 558' ' ' LEU . 10.1 mp -95.14 -168.96 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.501 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -164.44 46.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 46.3 p -97.94 -106.7 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.482 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -169.83 141.2 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.409 ' H ' ' H ' ' A' ' 563' ' ' VAL . 13.5 p-90 -168.76 -11.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.582 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.409 ' H ' ' H ' ' A' ' 562' ' ' TRP . 29.8 t -46.02 -28.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.536 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -62.45 -62.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -52.52 -43.68 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 569' ' ' ALA . 36.6 tp -55.46 -39.9 70.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -65.8 -52.88 47.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.531 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 46.9 mt -53.67 -17.38 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.598 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -80.28 -74.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 78.4 mt -63.93 1.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -97.26 -77.09 1.33 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 75.1 mt -55.3 -25.87 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.752 0.31 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.0 tp -55.91 -75.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -59.8 121.15 11.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.515 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 14.1 ttt -146.53 91.02 1.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.533 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -159.41 -147.49 4.9 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -54.81 -70.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.641 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 153.65 -15.41 0.63 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -72.28 -26.14 61.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.545 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -66.83 -68.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.492 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 6.1 p -47.44 -27.25 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.412 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.49 -51.87 65.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.403 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.56 -42.33 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.297 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 39.0 t -63.62 -46.06 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.28 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.5 -39.23 86.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.317 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -55.71 -37.29 68.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.277 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 590' ' ' ALA . 6.9 m -64.55 -57.45 9.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.25 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.7 mt -45.69 -35.14 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.227 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 5.1 m -76.89 -34.79 57.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.233 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -50.55 -30.09 12.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.327 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 10.9 pt -106.86 -168.18 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.435 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -75.66 136.51 40.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.614 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 9.5 p80 -144.39 44.22 0.46 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.626 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.78 -73.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.021 2.481 . . . . 0.0 112.118 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 597' ' ' SER . 6.0 ttm -77.8 -52.14 9.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.688 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 75.7 p -42.83 -18.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.632 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 597' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 595' ' ' MET . 22.4 p -45.04 -25.75 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.52 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.06 -77.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 11.4 tt -47.09 -25.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -62.23 -40.73 97.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 84.3 t -76.51 -18.91 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 12.4 tp -73.74 -63.04 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.484 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.63 -43.51 79.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -55.18 -37.86 65.55 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 42.3 t -77.04 -64.86 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.339 . . . . 0.0 110.524 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.26 122.24 23.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -173.75 -71.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.572 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -46.66 123.53 5.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 609' ' ' THR . . . . . 0.541 HG22 ' N ' ' A' ' 610' ' ' GLY . 87.8 m -65.82 160.63 22.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.612 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 610' ' ' GLY . . . . . 0.541 ' N ' HG22 ' A' ' 609' ' ' THR . . . 81.06 87.88 0.61 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 11.8 m -71.86 91.62 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.551 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.793 0 CA-C-O 117.962 -1.465 . . . . 0.0 110.872 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.0 ttp . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -84.94 122.06 28.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.4 pt -123.79 148.5 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.432 ' CE1' HG23 ' B' ' 14' ' ' THR . 71.6 m-85 -102.99 144.62 31.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.621 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.1 t -124.09 108.13 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.357 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -86.86 114.68 23.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.605 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 26.2 p -67.61 -139.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.446 HD22 HG13 ' B' ' 70' ' ' VAL . 2.1 tp -145.62 32.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.529 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 34.1 p -149.38 14.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.462 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.18 72.25 1.25 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -170.83 134.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.64 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.7 m -125.86 108.83 11.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.478 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.6 148.05 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.617 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.484 ' C ' HD12 ' B' ' 15' ' ' LEU . 16.0 m -115.93 105.63 12.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.328 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.531 ' N ' HD12 ' B' ' 15' ' ' LEU . 10.7 mp -104.88 168.38 9.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -124.39 122.37 37.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.083 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.565 HG21 ' CD1' ' B' ' 56' ' ' LEU . 12.1 m -146.56 -163.66 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.916 0.389 . . . . 0.0 110.938 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.558 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 8.2 mt-10 -145.94 145.92 26.72 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.354 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.06 -11.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.913 2.408 . . . . 0.0 112.358 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.471 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -98.5 8.3 45.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.877 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 1.0 OUTLIER -92.5 144.01 25.78 Favored 'General case' 0 N--CA 1.494 1.766 1 N-CA-C 98.828 -4.508 . . . . 0.0 98.828 -164.909 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 25' ' ' ASN . 4.9 p -88.93 132.89 34.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.542 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' B' ' 22' ' ' THR . 25.8 mm -36.65 -57.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -45.63 -44.17 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.406 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.523 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 14.9 t-20 -59.03 -48.13 82.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.272 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 19.0 t -54.72 -54.38 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.12 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -48.95 -35.25 14.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.09 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -63.8 -47.24 81.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.152 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -58.36 -32.89 68.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.115 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.8 mt -69.2 -48.27 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.329 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -55.4 -36.87 66.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.499 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.41 -33.84 71.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.532 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -72.44 -65.38 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.537 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -84.97 -104.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.589 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.58 9.18 0.03 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 66.5 mt -81.19 126.42 76.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.66 0.267 . . . . 0.0 110.428 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.02 143.74 36.81 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.571 2.181 . . . . 0.0 111.987 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -45.94 -65.81 0.17 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.824 2.349 . . . . 0.0 112.009 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 38' ' ' PRO . 10.6 t0 -38.06 -26.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.682 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' B' ' 38' ' ' PRO . 46.8 mm-40 -108.58 61.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -149.88 152.98 35.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -148.95 102.71 3.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.389 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.562 HD12 ' N ' ' B' ' 43' ' ' LEU . 8.8 mp -89.28 113.87 25.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.738 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 95.7 mt -115.4 140.38 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.43 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' B' ' 48' ' ' LYS . 69.2 t80 -150.88 135.26 17.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.75 25.25 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.53 -15.15 52.71 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' B' ' 45' ' ' PHE . 29.2 mttm -90.39 124.65 35.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.679 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -83.13 133.74 35.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.48 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.58 123.37 31.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.592 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -90.64 158.85 16.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.28 158.36 33.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 89.95 -66.3 2.81 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' B' ' 53' ' ' GLY . 12.1 mmt85 -43.71 171.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.515 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.7 p -114.13 167.26 10.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.606 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.565 ' CD1' HG21 ' B' ' 17' ' ' VAL . 85.2 mt -64.78 -18.34 64.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.579 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.486 ' C ' ' H ' ' B' ' 59' ' ' TYR . 8.3 t -74.95 -30.08 61.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.668 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.514 ' O ' ' CD1' ' B' ' 59' ' ' TYR . 1.3 m-20 -74.98 29.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' B' ' 58' ' ' ASP . 82.4 m-85 -156.03 0.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.624 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.423 ' N ' ' OD1' ' B' ' 60' ' ' ASN . 1.5 m-20 63.3 22.27 13.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.716 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.4 mt -67.54 96.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -78.43 -157.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.625 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -86.01 157.62 20.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.707 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 61.97 32.46 17.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.792 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.2 m -88.53 130.21 35.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.433 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 11.6 m -91.07 98.52 11.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.556 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -82.8 120.88 26.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.482 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -76.46 100.27 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.455 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 tp -88.8 106.34 18.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.497 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.446 HG13 HD22 ' B' ' 8' ' ' LEU . 1.8 t -114.95 155.4 16.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.52 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.441 ' N ' HD12 ' B' ' 71' ' ' LEU . 9.7 mp -86.48 111.13 20.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.455 ' CG ' ' N ' ' B' ' 73' ' ' LEU . 36.1 ttp180 -46.62 161.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.654 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.455 ' N ' ' CG ' ' B' ' 72' ' ' ARG . 63.5 tp -44.59 143.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.515 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -81.94 125.08 30.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.59 177.43 39.48 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.728 0 CA-C-O 117.962 -1.465 . . . . 0.0 110.936 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.475 ' N ' ' O ' ' C' ' 17' ' ' VAL . 30.0 ttp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -89.85 122.67 33.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.615 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 11.5 pt -126.08 154.01 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.474 ' HD1' ' HG1' ' C' ' 14' ' ' THR . 72.7 m-85 -109.86 149.21 30.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.728 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 43.6 t -129.93 105.67 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.276 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -88.0 125.79 34.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.716 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 31.7 p -91.65 142.81 27.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.451 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.487 ' O ' HD23 ' C' ' 8' ' ' LEU . 0.6 OUTLIER -59.0 -12.89 5.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.492 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 62.7 p -80.69 -55.01 5.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.49 70.81 0.02 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -169.61 132.5 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 110.624 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -108.29 106.0 15.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.446 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mt -92.59 136.03 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.62 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' THR . . . . . 0.474 ' HG1' ' HD1' ' C' ' 4' ' ' PHE . 6.8 m -107.27 127.59 53.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.416 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 mt -130.57 136.28 48.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -89.92 105.78 18.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.41 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' C' ' 1' ' ' MET . 14.0 m -125.82 -164.05 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.789 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.446 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.3 mt-10 -140.25 177.35 2.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.247 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 19' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.1 Cg_exo -75.06 -27.05 10.25 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.824 2.35 . . . . 0.0 112.202 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.17 4.98 43.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.663 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.4 134.08 37.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 5.6 p -87.08 143.71 27.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.693 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 24.4 mm -46.61 -46.43 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.35 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -51.56 -43.72 62.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.277 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ASN . . . . . 0.474 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 9.1 t-20 -60.45 -45.44 93.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.287 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 44.8 t -56.9 -50.73 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.237 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -54.52 -30.42 53.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.286 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -67.57 -50.04 60.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.254 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -57.16 -42.19 80.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.297 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.6 mt -63.09 -41.21 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.43 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -58.92 -38.6 79.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.375 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -68.75 -29.88 68.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.471 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -75.49 -60.98 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.511 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -89.03 -84.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.552 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.2 24.38 0.05 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.467 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 48.7 mt -92.31 108.64 32.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.692 0.282 . . . . 0.0 110.556 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.69 132.85 13.45 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.708 2.272 . . . . 0.0 111.92 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.558 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.46 -38.76 21.58 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.753 2.302 . . . . 0.0 111.925 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.78 14.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.558 ' H ' ' C ' ' C' ' 38' ' ' PRO . 30.6 mt-30 -146.76 56.96 1.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.49 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -147.74 151.68 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -143.11 108.74 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 mt -103.08 128.06 50.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mt -130.7 149.33 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.564 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' PHE . . . . . 0.552 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 56.3 t80 -155.74 -178.58 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.508 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 46' ' ' ALA . . . . . 0.552 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -41.11 -21.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.41 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 47' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -105.67 64.9 0.29 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 48' ' ' LYS . . . . . 0.418 ' HB3' ' H ' ' C' ' 49' ' ' GLN . 24.4 mmtp 42.07 -147.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 110.658 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.418 ' H ' ' HB3' ' C' ' 48' ' ' LYS . 25.6 tt0 -87.91 140.87 29.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.447 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 50' ' ' LEU . . . . . 0.415 ' N ' HD23 ' C' ' 50' ' ' LEU . 8.0 mt -89.26 121.73 31.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.661 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -73.65 159.0 33.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.677 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.68 97.64 9.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.39 -55.13 0.44 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.405 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 12.1 mmt85 -48.39 173.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.777 0.323 . . . . 0.0 110.502 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 11.9 p -113.57 155.83 24.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.461 ' CD1' HG21 ' C' ' 17' ' ' VAL . 81.9 mt -58.6 -14.49 8.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.535 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 13.2 t -78.4 -37.62 43.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.582 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.88 -37.57 74.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -91.2 19.82 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.612 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 60' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' C' ' 60' ' ' ASN . 19.1 p30 42.14 33.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.842 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 60.1 mt -72.54 101.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.458 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -80.82 -167.96 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.735 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -74.69 159.83 31.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 58.94 32.38 22.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.791 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 39.7 m -90.67 126.88 36.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.469 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 6.3 m -90.21 107.57 19.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.609 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 mt -91.63 128.14 37.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.484 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -79.91 107.33 12.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.5 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 61.3 tp -97.62 139.32 33.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.646 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 17.4 t -142.79 136.48 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.476 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.426 HD22 HD13 ' C' ' 36' ' ' ILE . 4.6 mt -86.24 149.22 25.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.66 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 72' ' ' ARG . . . . . 0.474 ' O ' ' CG ' ' A' ' 548' ' ' ASP . 40.2 ttm180 -63.87 -56.78 12.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 73' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' C' ' 73' ' ' LEU . 0.2 OUTLIER -175.84 90.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.499 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 74' ' ' ARG . . . . . 0.58 ' HE ' HD23 ' A' ' 510' ' ' LEU . 53.8 mtt-85 54.65 107.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.523 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.0 142.44 10.84 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 33.9 t0 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 44.8 p -75.5 154.3 37.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.623 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -141.63 -71.15 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.512 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 13.0 pt -50.89 -28.24 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 7.8 t -62.44 -51.82 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.571 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 6.6 t -47.5 -38.67 14.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -67.13 -40.56 86.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.527 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -54.32 -51.08 65.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 15.9 mm -63.19 -28.89 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.512 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.494 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.8 tt -62.75 -70.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.379 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -52.11 -46.97 55.91 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 15.3 tp -66.67 -24.35 66.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 110.36 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -60.73 -43.84 98.63 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 495' ' ' ILE . 66.4 mt -83.86 -13.52 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.721 0.296 . . . . 0.0 110.434 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -70.01 -42.06 73.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.664 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.441 ' C ' ' H ' ' A' ' 499' ' ' GLY . 48.3 m-85 -46.86 -59.92 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -53.9 -9.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.597 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -72.16 -15.79 76.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 46.5 t -146.95 -55.19 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.8 0.334 . . . . 0.0 110.597 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 55.6 tttm 61.08 86.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.523 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.558 ' N ' ' OD1' ' A' ' 502' ' ' ASN . 4.4 p-10 -134.48 -169.88 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -82.5 9.61 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.698 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -89.81 -49.72 6.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.04 0.448 . . . . 0.0 110.103 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.455 ' O ' HD13 ' A' ' 509' ' ' LEU . 50.2 t -48.84 -49.42 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.257 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.1 tp -72.56 -36.57 68.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.502 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -60.1 -9.55 11.61 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.5 mp -120.53 -40.14 2.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 110.714 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 505' ' ' VAL . 7.2 mp -67.93 -66.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.488 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.6 tp -37.37 -62.21 0.62 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.87 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.488 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.12 -55.15 3.9 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.573 2.182 . . . . 0.0 111.721 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 512' ' ' ILE . 73.3 mt -52.23 -14.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.46 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 511' ' ' PRO . . . -132.15 32.68 3.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.519 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -162.46 -33.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.725 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.585 ' C ' HH12 ' B' ' 42' ' ' ARG . 3.8 p -30.03 -79.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.666 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.555 ' OG1' ' NH1' ' B' ' 42' ' ' ARG . 1.9 m -171.06 -71.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.764 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.518 ' C ' HD22 ' A' ' 518' ' ' LEU . 80.8 m-20 -127.32 73.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.789 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.2 mm? -105.0 151.88 39.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.203 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.28 107.3 0.1 OUTLIER 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.773 2.315 . . . . 0.0 111.922 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 26.2 pt -69.71 -6.57 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.692 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -77.85 -46.64 20.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 10.1 m -87.21 -32.83 19.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.625 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -59.4 -38.47 80.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.587 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.75 -53.03 34.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 21.1 mmt -64.16 -42.21 96.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -56.44 -59.67 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.583 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 14.8 m -44.59 -52.45 8.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.495 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 528' ' ' LEU . 0.2 OUTLIER -54.95 -62.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.73 -36.93 12.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.512 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.505 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.8 tt -56.98 -56.69 18.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.525 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.8 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -48.88 -42.94 38.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.609 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.469 ' C ' ' H ' ' A' ' 535' ' ' VAL . 83.5 t -77.66 -56.48 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.544 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -75.76 24.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.472 HG13 ' N ' ' A' ' 536' ' ' GLY . 12.1 p -55.97 -39.45 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.472 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -76.44 -80.72 0.6 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 537' ' ' THR . 0.1 OUTLIER -80.72 127.23 32.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.478 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 4.3 p -126.63 -177.99 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -151.58 164.96 35.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.443 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -76.02 -38.43 35.43 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -46.66 -56.07 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.564 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.2 mt -44.39 -46.33 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.595 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 544' ' ' THR . 41.5 m -67.75 -65.52 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.477 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 543' ' ' THR . 67.3 p -39.01 -44.79 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.549 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 23.0 m -66.92 -53.53 31.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.098 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.07 -31.51 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.126 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.2 mmt -69.51 -44.16 71.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.383 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.454 ' OD1' ' NH2' ' C' ' 42' ' ' ARG . 45.8 m-20 -51.28 -36.09 40.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.222 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -72.63 -45.99 56.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.392 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -47.74 -63.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.427 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 551' ' ' LEU . 10.8 mp -51.55 -40.42 59.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.436 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.567 ' O ' ' O ' ' A' ' 553' ' ' ARG . 0.3 OUTLIER -78.39 -95.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.531 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.567 ' O ' ' O ' ' A' ' 552' ' ' GLU . 18.0 ttm180 53.55 120.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.406 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.6 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER -85.52 -38.85 18.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.651 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 44.7 16.02 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.6 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.7 OUTLIER -77.75 -21.78 13.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.998 -179.165 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -74.96 -45.17 44.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.709 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 559' ' ' LYS . 22.0 tp -159.4 153.48 23.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 558' ' ' LEU . 79.7 mttt -57.58 -150.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.566 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 70.9 p -54.35 110.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.535 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 10.3 t0 -169.99 52.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -179.7 -14.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.56 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 563' ' ' VAL . 7.2 p -72.11 -10.24 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.624 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -68.8 -71.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.682 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -70.27 -43.47 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.726 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 51.0 tp -50.83 -47.2 60.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.594 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -62.44 -63.92 1.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.668 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 23.8 mt -43.94 -35.86 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.578 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -58.67 -71.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 56.7 tp -42.5 -23.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -77.58 -76.78 0.86 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 16.0 pt -47.46 -19.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.598 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 571' ' ' GLY . 30.0 tp -56.38 -48.0 77.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.445 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -92.06 129.94 37.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.3 ttt -145.68 98.65 3.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 165.77 135.75 1.89 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -78.49 106.1 10.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -169.16 176.75 43.15 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -79.29 -6.77 57.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 110.661 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -48.06 -59.73 3.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.535 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 98.0 t -56.72 -51.36 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.539 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -44.49 -32.85 1.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.577 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.89 -56.58 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 90.8 t -46.21 -49.87 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 585' ' ' LEU . 11.0 mp -54.22 -46.73 72.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.468 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -47.99 -33.76 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.388 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 17.9 m -70.21 -50.41 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.412 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 62.7 mt -48.88 -38.52 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.492 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 3.6 m -73.84 -35.3 64.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.5 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.403 ' HB1' ' CG2' ' C' ' 44' ' ' ILE . . . -49.34 -43.84 44.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.435 ' O ' ' O ' ' A' ' 592' ' ' GLU . 7.1 pt -103.45 154.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.57 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 6.5 mp0 -59.36 -124.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.479 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 1.8 m-70 60.83 76.16 0.43 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.76 7.17 2.88 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.022 2.482 . . . . 0.0 111.862 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 20.6 mmt -79.29 -18.69 52.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.504 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 4.1 p -85.49 -3.41 58.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.536 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 8.0 t -45.99 -45.77 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.584 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.32 -40.64 78.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.577 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' ILE . . . . . 0.686 HD12 ' N ' ' A' ' 599' ' ' ILE . 1.7 mp -71.39 -34.4 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -69.44 -49.61 53.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.601 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 82.7 t -53.74 -67.97 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.556 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 48.7 mt -46.96 -73.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.484 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 41.4 t -50.1 -18.24 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -76.93 -63.69 2.25 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 10.5 m -47.64 -68.83 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 110.546 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 90.4 m -80.55 118.29 22.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -156.21 -100.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -46.95 -60.64 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.51 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 14.2 t -68.17 -177.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.561 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 160.57 -167.11 35.64 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 71.3 p -45.6 138.15 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.527 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.816 0 CA-C-O 118.079 -1.401 . . . . 0.0 110.981 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttp . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -84.85 124.24 31.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.617 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -125.28 150.52 30.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -106.1 138.33 42.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.673 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -116.5 104.14 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.089 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -81.4 130.91 35.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 59.4 p -93.88 154.74 17.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.255 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 tp -71.02 48.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.504 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 73.2 p -150.02 -55.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.548 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.74 -13.33 0.14 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -77.25 152.89 34.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -137.28 107.05 6.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.424 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -90.15 135.92 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -105.37 129.03 53.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.238 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -128.34 133.54 48.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.824 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -89.4 107.67 19.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.185 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.516 HG21 ' CD1' ' B' ' 56' ' ' LEU . 10.5 m -131.5 -163.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.986 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.427 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.3 mt-10 -141.82 176.45 2.4 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.129 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.2 Cg_exo -74.5 -25.41 12.99 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.715 2.276 . . . . 0.0 112.24 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.67 5.15 47.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.676 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.406 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 3.7 m-20 -78.53 139.16 38.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.566 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.9 p -87.06 142.43 27.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.773 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 mm -49.15 -49.37 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.268 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -49.28 -41.31 37.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.265 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.438 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 34.6 t-20 -62.21 -44.75 95.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.164 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.75 -51.24 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.146 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -53.05 -34.07 54.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.095 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -65.17 -42.62 93.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.19 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -63.37 -34.99 78.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.343 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.1 mt -69.41 -40.4 79.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.393 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -62.95 -35.46 80.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.407 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -74.54 -21.89 59.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -83.55 -60.36 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -92.5 -92.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.566 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.3 20.76 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.563 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 57.9 mt -93.51 104.04 11.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.689 0.28 . . . . 0.0 110.522 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.72 142.04 7.81 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.609 2.206 . . . . 0.0 111.832 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.05 -64.83 0.22 Allowed 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.792 2.328 . . . . 0.0 112.156 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.445 ' HB2' HE22 ' B' ' 40' ' ' GLN . 1.4 m-20 -38.57 -36.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.488 ' CD ' ' N ' ' B' ' 40' ' ' GLN . 3.0 mp0 -93.57 59.06 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.727 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.563 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 60.8 mt-30 -157.52 153.22 26.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.644 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.585 HH12 ' C ' ' A' ' 515' ' ' SER . 31.0 ttp180 -143.9 104.1 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.307 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.3 mt -85.14 111.26 19.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.813 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mm -111.68 146.64 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.285 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -151.78 115.07 4.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.426 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.99 22.41 13.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.428 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.31 25.54 43.31 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -124.81 131.8 53.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.634 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -82.72 120.1 25.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.487 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -83.05 88.41 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.369 . . . . 0.0 110.537 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -52.45 158.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.607 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -71.73 173.32 8.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.524 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 77.02 -58.79 3.56 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' B' ' 53' ' ' GLY . 17.6 mmt180 -45.44 173.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 110.569 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 64.5 p -120.14 164.09 16.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.675 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.516 ' CD1' HG21 ' B' ' 17' ' ' VAL . 97.0 mt -62.83 -21.77 66.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.6 t -75.91 -28.26 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.727 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -73.21 8.17 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.422 ' O ' ' CG ' ' B' ' 60' ' ' ASN . 65.5 m-85 -136.84 22.2 3.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' B' ' 59' ' ' TYR . 5.7 p-10 42.09 37.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.737 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.6 mt -84.32 99.36 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.352 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -80.66 -161.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -81.21 161.25 24.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.776 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 55.65 37.9 29.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.895 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 73.8 m -93.37 138.01 32.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.433 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -94.98 102.6 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.671 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -88.88 119.14 29.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -78.15 102.57 7.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.645 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 14.9 tp -87.21 110.14 19.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.525 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.448 ' HB ' ' HE ' ' B' ' 42' ' ' ARG . 2.0 t -111.26 156.86 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.476 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 74.1 mt -88.72 124.98 34.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.473 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -61.14 -79.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.697 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 28.2 mt -79.78 -167.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.612 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -93.04 -171.97 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.77 121.64 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.75 0 CA-C-O 117.969 -1.462 . . . . 0.0 110.917 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttp . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -83.89 111.81 19.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.683 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 pt -115.21 152.49 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.624 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.417 ' CE1' HG23 ' C' ' 14' ' ' THR . 77.0 m-85 -104.74 150.53 24.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.518 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' C' ' 13' ' ' ILE . 41.1 t -128.74 100.31 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.15 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -84.1 114.08 21.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.631 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 10.6 p -76.34 144.39 40.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 36.4 tp -64.87 -15.29 61.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.522 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 19.9 p -80.62 -61.12 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.09 78.23 0.03 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -173.55 162.95 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 30.1 m -139.01 96.51 3.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.448 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' C' ' 5' ' ' VAL . 0.0 OUTLIER -83.78 135.49 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 -179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 14' ' ' THR . . . . . 0.481 ' C ' HD12 ' C' ' 15' ' ' LEU . 8.6 m -106.54 98.6 8.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.151 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.541 HD12 ' N ' ' C' ' 15' ' ' LEU . 10.4 mp -101.69 133.62 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.042 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -90.77 113.93 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.053 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.427 HG21 ' CD1' ' C' ' 56' ' ' LEU . 4.6 m -136.97 -162.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.109 0.48 . . . . 0.0 110.971 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.535 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 22.4 mt-10 -146.47 148.54 34.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.085 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.16 -49.06 8.99 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.858 2.372 . . . . 0.0 112.462 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.433 ' O ' ' C ' ' C' ' 21' ' ' ASP . 0.7 OUTLIER -57.8 -40.55 80.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.171 -179.641 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 25.3 m-20 -36.8 145.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.892 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 22' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 41.5 p -93.71 147.83 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 37.2 mm -50.92 -42.63 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.502 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -54.37 -46.99 73.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.433 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -60.09 -37.46 80.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.407 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.7 t -63.21 -52.14 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.325 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' LYS . . . . . 0.451 ' HZ2' ' HG ' ' C' ' 43' ' ' LEU . 30.2 mttp -51.59 -42.12 61.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.089 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.34 -46.82 87.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.236 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -55.5 -46.46 76.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.263 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 15.5 mt -58.03 -46.42 87.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.367 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -55.92 -30.54 61.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.358 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -71.07 -42.69 69.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.472 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -67.5 -54.03 23.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.37 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -97.06 -106.13 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.505 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . 176.55 13.85 0.02 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.584 HD13 HD22 ' C' ' 71' ' ' LEU . 42.0 mt -76.41 114.41 37.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.659 0.266 . . . . 0.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -46.2 134.86 15.3 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.571 2.181 . . . . 0.0 111.883 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.507 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.25 -42.68 21.86 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.76 2.307 . . . . 0.0 112.017 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -73.24 26.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.701 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' C' ' 38' ' ' PRO . 62.5 mt-30 -154.18 52.42 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.527 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 65.3 mt-30 -150.09 95.72 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.833 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 42' ' ' ARG . . . . . 0.454 ' NH2' ' OD1' ' A' ' 548' ' ' ASP . 56.1 mtm180 -89.56 102.92 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.234 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' HZ2' ' C' ' 27' ' ' LYS . 3.5 mt -89.88 129.45 36.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.988 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.403 ' CG2' ' HB1' ' A' ' 590' ' ' ALA . 87.8 mt -127.49 132.72 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.133 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 45' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 71.3 t80 -139.85 167.55 21.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.788 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 46' ' ' ALA . . . . . 0.603 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -40.55 89.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.57 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 47' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 149.11 -62.02 0.42 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 48' ' ' LYS . . . . . 0.596 ' CD ' ' H ' ' C' ' 49' ' ' GLN . 6.1 tmtp? 178.28 -151.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.616 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.596 ' H ' ' CD ' ' C' ' 48' ' ' LYS . 7.2 tt0 -93.72 144.49 25.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.476 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -89.09 131.28 35.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.661 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' C' ' 51' ' ' GLU . 5.5 mp0 -101.87 158.27 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.542 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 52' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -64.69 164.28 12.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.611 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 53' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 80.09 -64.15 3.99 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' C' ' 53' ' ' GLY . 16.3 mmt180 -42.81 168.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.573 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 82.6 p -115.64 161.85 18.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.427 ' CD1' HG21 ' C' ' 17' ' ' VAL . 85.3 mt -62.37 -7.62 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 89.7 p -85.83 -41.34 15.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.673 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.48 -10.86 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.768 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -112.67 -3.67 14.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.614 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 60' ' ' ASN . . . . . 0.405 ' C ' HE21 ' C' ' 62' ' ' GLN . 6.2 m120 64.94 21.33 12.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.771 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.16 109.9 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.395 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.405 HE21 ' C ' ' C' ' 60' ' ' ASN . 49.7 mm-40 -86.01 -160.01 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -84.32 158.23 21.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 56.73 34.58 24.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 26.1 m -90.89 135.77 33.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.512 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -89.0 110.24 20.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.636 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mp -95.17 111.51 23.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.472 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -72.35 103.37 3.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.44 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 10.8 tp -91.81 116.94 29.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.575 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 67.9 t -108.64 131.33 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.441 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.584 HD22 HD13 ' C' ' 36' ' ' ILE . 6.1 mt -84.79 151.56 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.686 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -90.42 75.07 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.401 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 30.4 tp 55.08 92.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.425 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 55.09 176.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.523 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.09 -162.24 29.65 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 57.9 p -151.55 -164.56 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.568 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -51.01 -28.77 10.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.515 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 11.4 pt -55.3 -26.87 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 40.1 p -54.16 -46.99 72.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 23.1 t -72.27 -56.37 5.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -46.95 -34.54 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.562 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 489' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 491' ' ' LEU . . . -72.38 -71.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 95.1 mt -43.93 -21.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.546 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 489' ' ' ALA . 62.0 tp -72.56 -59.94 2.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.517 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -59.14 -36.46 88.71 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.57 -38.03 88.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 110.57 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -63.95 -47.3 87.09 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 495' ' ' ILE . 65.7 mt -73.48 -8.85 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -79.28 -77.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -86.85 25.57 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.683 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -40.97 -74.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.586 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -112.82 86.23 0.42 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 72.5 m -164.82 -41.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.692 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp 59.39 83.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -86.64 -100.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.655 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -172.23 -32.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -71.13 -15.81 62.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.024 0.44 . . . . 0.0 110.162 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 505' ' ' VAL . 0.9 OUTLIER -55.32 -68.01 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.241 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.525 ' CD2' HD22 ' A' ' 530' ' ' LEU . 6.1 mt -70.69 -20.11 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.421 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.404 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -64.66 -20.1 65.71 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 507' ' ' GLY . 6.7 mp -118.82 -39.54 2.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 0.0 110.761 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.469 ' CD2' HD21 ' A' ' 530' ' ' LEU . 9.6 mp -68.83 -61.75 1.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.119 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 0.9 OUTLIER -42.6 -60.31 2.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.754 -179.614 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.64 -53.35 6.22 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.497 2.131 . . . . 0.0 111.669 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.401 ' O ' HG22 ' A' ' 512' ' ' ILE . 75.9 mt -54.6 -15.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.317 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -138.06 27.08 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -145.79 -36.06 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.726 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.453 ' O ' ' OG1' ' A' ' 516' ' ' THR . 16.9 t -36.97 -62.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.605 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 515' ' ' SER . 94.9 m -168.72 -59.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.455 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' A' ' 518' ' ' LEU . 15.3 t70 -131.18 -75.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.598 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.2 mm? 56.1 149.53 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.514 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.06 118.79 2.13 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.772 2.314 . . . . 0.0 111.937 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 20.3 pt -72.77 -13.42 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.662 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -77.58 -25.6 50.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 7.4 m -98.75 -22.54 15.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.522 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -73.2 -53.74 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.523 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -44.11 -53.89 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.601 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 40.2 mtt -60.03 -53.64 55.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.59 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 529' ' ' ALA . . . -47.13 -52.26 15.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.578 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.5 t -47.26 -54.62 10.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.586 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' A' ' 531' ' ' ALA . 5.9 tp -46.84 -43.25 18.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 529' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 526' ' ' ALA . . . -54.54 -43.51 72.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.593 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.525 HD22 ' CD2' ' A' ' 506' ' ' LEU . 55.2 mt -61.56 -29.65 70.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 528' ' ' LEU . . . -65.05 -68.35 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.59 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -45.38 -33.76 2.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.6 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.517 ' C ' ' H ' ' A' ' 535' ' ' VAL . 93.8 t -79.59 -73.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -72.3 30.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.666 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.534 HG13 ' N ' ' A' ' 536' ' ' GLY . 10.5 p -49.86 -43.69 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.497 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.534 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -91.51 -67.09 1.15 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 28.8 m -53.38 117.58 3.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 47.3 t -109.62 145.25 36.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -147.95 136.92 22.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -61.85 -44.88 97.26 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -45.28 -49.26 12.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.608 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.3 mt -55.97 -43.72 75.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 8.8 m -64.83 -60.0 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.612 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 74.7 p -45.17 -53.61 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.51 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 31.2 m -55.6 -47.28 76.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.979 0.418 . . . . 0.0 110.131 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' ILE . . . . . 0.432 ' CG2' HD21 ' A' ' 570' ' ' LEU . 0.3 OUTLIER -63.41 -28.62 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.293 179.737 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.3 tpt -74.74 -41.53 59.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.418 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -53.85 -52.0 61.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.359 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -61.51 -30.86 70.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.248 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' PHE . . . . . 0.627 ' CE1' ' NH2' ' A' ' 553' ' ' ARG . 19.3 t80 -69.44 -25.76 64.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.364 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 37.1 tp -90.7 -44.18 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.527 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.63 -4.96 7.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.627 ' NH2' ' CE1' ' A' ' 550' ' ' PHE . 29.8 ttm180 -41.54 108.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.44 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.58 HG22 HD13 ' A' ' 556' ' ' ILE . 0.2 OUTLIER -86.08 -26.89 25.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.589 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.545 ' O ' HD21 ' A' ' 558' ' ' LEU . . . 54.02 13.69 0.6 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.58 HD13 HG22 ' A' ' 554' ' ' THR . 0.7 OUTLIER -71.51 -12.48 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.78 -179.695 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -84.22 -62.62 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.545 HD21 ' O ' ' A' ' 555' ' ' ALA . 30.0 mt 62.09 54.71 2.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.551 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 560' ' ' THR . 58.5 mttp -149.0 153.94 38.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.569 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 559' ' ' LYS . 72.0 p 50.3 176.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -85.25 165.94 16.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -174.92 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.602 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 563' ' ' VAL . 7.4 p -66.46 -12.1 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.534 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -75.97 -77.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.578 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -52.07 -31.28 29.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.547 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 550' ' ' PHE . 55.4 tp -61.93 -48.85 78.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.93 -62.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.581 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 568' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 568' ' ' LEU . 10.3 mp -42.58 -47.69 5.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.475 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.476 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -49.49 -64.16 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.53 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.432 HD21 ' CG2' ' A' ' 546' ' ' ILE . 60.8 mt -57.0 -5.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.476 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -90.33 -71.58 1.24 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 11.9 pt -64.98 -4.81 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 tp -61.18 -58.75 7.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.515 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -80.55 125.3 29.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.566 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 575' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 575' ' ' MET . 1.6 tmt? -156.19 -21.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -83.95 -70.22 1.35 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.587 ' CD ' ' H ' ' A' ' 577' ' ' GLN . 2.5 mp0 -68.29 -157.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.317 . . . . 0.0 110.593 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -151.62 -71.19 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -55.83 -27.66 52.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.602 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -45.43 -42.77 10.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.9 -49.7 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.591 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -48.19 -38.09 17.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.72 -36.13 75.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.45 -52.87 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 47.0 mt -55.69 -35.16 65.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.89 -38.59 91.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.524 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 7.1 m -68.73 -54.87 13.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 99.5 mt -44.26 -45.69 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.522 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.1 m -60.99 -38.32 85.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.496 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -55.81 -28.89 58.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.406 ' N ' HD13 ' A' ' 591' ' ' ILE . 6.8 mm -86.61 155.37 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.591 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -73.18 -146.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 6.7 m170 44.78 75.61 0.63 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.4 18.32 0.59 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.941 2.428 . . . . 0.0 111.962 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 20.4 ttt -77.85 -20.82 52.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 599' ' ' ILE . 5.8 t -71.05 -2.93 17.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 65.3 p -40.53 -29.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.603 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.16 98.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 596' ' ' THR . 55.4 mt -77.31 -27.25 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.554 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.05 -40.4 96.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.71 -33.79 27.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.446 ' C ' HD13 ' A' ' 602' ' ' LEU . 0.2 OUTLIER -62.61 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 13.1 t -65.12 -18.88 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.562 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -67.67 -72.32 0.81 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 51.0 p -48.48 -53.45 17.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.337 . . . . 0.0 110.588 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 8.1 m -80.7 123.68 28.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.63 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -175.83 -78.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -158.75 5.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.499 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 609' ' ' THR . . . . . 0.408 ' H ' HG23 ' A' ' 609' ' ' THR . 7.5 p -61.59 134.75 57.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 610' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' A' ' 612' ' ' GLY . . . 166.41 -41.23 0.26 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 40.9 p -76.63 28.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.516 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 612' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 610' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.764 0 CA-C-O 118.05 -1.416 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttp . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -75.93 105.73 7.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.581 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.2 pt -109.74 150.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -105.2 143.67 33.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.666 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -127.38 103.21 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.364 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -75.19 139.55 42.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.702 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -106.57 152.66 23.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.375 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.51 64.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -165.82 -51.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.514 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.94 -6.21 0.43 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -88.44 156.64 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.614 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.8 m -136.98 118.22 14.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.515 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 mt -96.6 128.41 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -104.2 117.21 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.351 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.579 ' CD2' ' NZ ' ' B' ' 33' ' ' LYS . 15.0 mt -118.41 136.03 54.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -88.08 102.35 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.303 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' B' ' 56' ' ' LEU . 10.7 m -121.84 -165.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.71 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.616 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 23.8 mt-10 -147.61 150.24 36.19 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.335 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.41 -28.72 4.16 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.893 2.396 . . . . 0.0 112.347 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.62 15.41 6.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.904 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.616 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 1.4 m-20 -92.91 134.75 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.486 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.454 ' OG1' ' CG ' ' B' ' 24' ' ' GLU . 25.8 p -82.67 147.27 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.765 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 24.2 mm -54.26 -41.34 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.158 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.454 ' CG ' ' OG1' ' B' ' 22' ' ' THR . 9.6 pt-20 -55.65 -41.4 73.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.17 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.482 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 26.9 t-20 -62.8 -47.02 85.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.237 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.78 -53.52 36.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.295 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -50.76 -36.24 35.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.083 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -61.96 -47.33 85.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.123 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.446 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 51.6 mttp -57.59 -43.19 84.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.202 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 13.8 mt -59.52 -45.8 93.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.294 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -56.8 -35.66 69.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.308 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 4.7 m-20 -65.06 -44.28 89.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.44 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.579 ' NZ ' ' CD2' ' B' ' 15' ' ' LEU . 1.2 mptm? -67.16 -63.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.41 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -86.16 -117.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.565 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -171.27 18.79 0.06 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.479 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 54.6 mt -88.29 108.63 23.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.642 0.258 . . . . 0.0 110.566 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.479 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.86 140.74 9.53 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.705 2.27 . . . . 0.0 111.934 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.42 -43.86 21.41 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.749 2.299 . . . . 0.0 112.084 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.457 ' CB ' HE22 ' B' ' 40' ' ' GLN . 2.1 m-20 -60.64 -32.5 71.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' B' ' 40' ' ' GLN . 1.9 mp0 -92.31 52.92 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -144.81 161.6 38.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.631 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.495 ' NE ' ' OE1' ' B' ' 49' ' ' GLN . 70.1 ttt180 -157.24 92.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.529 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.89 117.54 17.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.611 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -111.22 146.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -160.72 129.95 4.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.63 38.92 29.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.51 38.62 96.1 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -145.82 129.25 16.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.592 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.495 ' OE1' ' NE ' ' B' ' 42' ' ' ARG . 35.9 tt0 -80.77 129.87 34.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.8 113.1 21.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.558 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -72.44 158.98 34.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.562 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.0 163.01 28.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.462 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 87.1 -64.21 3.9 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' B' ' 53' ' ' GLY . 20.1 mmt180 -42.52 168.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 110.526 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.9 p -113.21 168.37 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.442 ' CD1' HG21 ' B' ' 17' ' ' VAL . 60.8 mt -68.92 -17.37 63.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.522 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 92.8 p -77.64 -24.57 49.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.541 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' B' ' 58' ' ' ASP . 2.2 m-20 -78.18 15.41 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.62 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -140.92 3.08 1.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.498 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 65.65 15.97 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.776 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.46 98.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.444 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -79.68 -157.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.703 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -86.29 162.7 18.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.714 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 58.57 18.01 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.734 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -66.46 166.59 12.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.364 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 39.1 m -128.38 98.31 5.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.559 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.09 122.54 29.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -82.81 97.58 8.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 5.1 tp -73.91 127.58 33.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.491 ' C ' HD22 ' B' ' 71' ' ' LEU . 2.8 t -132.73 160.95 42.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.634 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.491 HD22 ' C ' ' B' ' 70' ' ' VAL . 4.2 mm? -103.86 125.15 50.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -74.73 161.69 29.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.614 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 44.8 tp -45.7 116.49 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.553 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -64.98 135.8 56.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.31 72.21 1.14 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 118.029 -1.428 . . . . 0.0 110.959 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.482 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -97.23 112.39 24.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.603 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.6 pt -108.21 157.56 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.792 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -114.66 137.31 52.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.585 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 83.9 t -113.22 107.89 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.415 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -92.32 125.83 37.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.67 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -89.37 142.01 28.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.412 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.533 ' O ' HD23 ' C' ' 8' ' ' LEU . 1.0 OUTLIER -49.91 -48.83 51.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.484 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 57.8 p -51.2 -69.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.42 80.38 0.03 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -172.62 122.2 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 110.565 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 10.2 m -102.65 137.08 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.59 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -124.97 128.48 73.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.616 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 6.5 m -92.75 116.39 28.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.315 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -126.5 134.23 50.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.769 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -84.99 120.55 26.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.4 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.2 m -138.17 -176.43 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.704 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.555 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.9 mm-40 -132.79 176.75 2.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.244 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 19' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -75.06 -26.18 11.06 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.783 2.322 . . . . 0.0 111.928 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -89.62 1.4 56.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.555 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 9.1 m-20 -70.79 133.03 46.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.514 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.4 p -87.05 143.24 27.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.666 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -46.64 -53.91 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.375 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -48.58 -35.42 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.326 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -66.1 -42.26 89.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.261 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.44 -51.4 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.332 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -52.02 -38.87 58.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.236 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.56 94.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.3 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.44 -38.38 77.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.402 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 7.5 mt -68.92 -36.48 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.388 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.437 ' OE1' ' O ' ' C' ' 36' ' ' ILE . 44.6 tp60 -63.45 -32.82 74.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.463 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.76 -36.29 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.568 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -72.57 -66.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -82.88 -99.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.25 19.04 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.565 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 73.1 mt -88.78 118.08 68.95 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.651 0.262 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.9 135.14 14.09 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.606 2.204 . . . . 0.0 111.957 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.18 -50.63 9.74 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.788 2.325 . . . . 0.0 111.942 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -53.64 -37.63 63.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -88.81 54.25 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.668 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.565 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 62.7 mt-30 -153.94 100.24 2.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.673 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -98.2 101.74 13.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.427 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.3 130.25 34.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.59 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mt -133.21 145.16 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' PHE . . . . . 0.553 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 55.9 t80 -129.53 176.14 8.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 46' ' ' ALA . . . . . 0.553 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -39.94 -24.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 47' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -86.24 -91.03 0.92 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -146.98 -146.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.341 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -90.31 141.41 28.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.497 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mt -90.1 111.78 23.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.543 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -73.1 157.75 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -74.1 115.62 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.477 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 53' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 131.02 -61.69 0.66 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.7 mmt180 -44.36 171.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.496 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.507 ' HG1' ' HG ' ' C' ' 57' ' ' SER . 3.1 p -112.99 166.39 11.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.584 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' C' ' 56' ' ' LEU . 89.2 mt -67.71 -18.71 65.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.59 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 57' ' ' SER . . . . . 0.507 ' HG ' ' HG1' ' C' ' 55' ' ' THR . 29.1 p -83.81 -6.39 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.612 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -88.81 -5.93 57.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -123.51 15.77 9.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.52 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 27.7 m120 58.61 15.61 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.88 91.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.434 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -73.41 -161.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.742 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -82.59 159.58 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.749 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 57.69 32.68 22.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 30.3 m -88.01 133.28 33.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 20.1 m -94.39 101.75 13.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -83.29 171.24 13.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.607 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -125.77 108.67 11.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.364 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 69' ' ' LEU . . . . . 0.748 ' C ' HD23 ' C' ' 69' ' ' LEU . 6.3 tt -92.85 124.28 36.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.542 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.695 ' N ' HD23 ' C' ' 69' ' ' LEU . 67.6 t -122.69 104.45 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.469 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.627 ' O ' HD12 ' C' ' 71' ' ' LEU . 0.3 OUTLIER -78.89 155.24 29.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -68.33 -24.57 64.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 177.65 177.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -47.49 120.08 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.53 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.35 162.46 0.97 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 31.1 m -58.34 -75.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.562 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm 57.2 163.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 19.9 tt -52.27 -20.37 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.583 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 9.2 t -45.97 -39.92 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.647 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 5.4 m -60.68 -42.15 96.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.587 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -59.14 -28.13 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.595 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -74.5 -66.12 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.514 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 11.7 mm -56.55 -33.4 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 21.1 tp -61.6 -78.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -49.61 -47.19 37.65 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 15.5 tp -61.33 -29.57 69.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.503 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -61.07 -41.67 99.53 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 495' ' ' ILE . 71.4 mt -84.78 -11.48 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.749 0.309 . . . . 0.0 110.568 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -70.87 -43.72 67.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.49 ' C ' ' H ' ' A' ' 499' ' ' GLY . 55.4 m-85 -48.48 -48.81 37.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -50.4 -10.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.582 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -82.02 -28.61 40.85 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 80.2 p -174.55 99.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 110.568 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -72.61 53.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.492 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 6.4 t-20 -66.68 -172.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 503' ' ' ASP . . . . . 0.492 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 12.8 m-20 -84.12 14.18 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.552 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -86.42 -35.97 19.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.287 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.463 HG23 ' H ' ' A' ' 505' ' ' VAL . 2.4 t -50.92 -69.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.398 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.524 ' HB3' HD23 ' A' ' 510' ' ' LEU . 9.4 mt -67.09 -42.32 84.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.59 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -41.09 -25.93 0.15 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 506' ' ' LEU . 43.1 mt -114.32 -40.2 3.7 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.031 -0.267 . . . . 0.0 110.995 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 510' ' ' LEU . 5.6 mp -63.28 -57.07 11.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.754 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.64 ' O ' ' N ' ' A' ' 514' ' ' ALA . 1.2 mm? -39.97 -67.32 0.29 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.579 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.93 -57.74 2.03 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.739 2.292 . . . . 0.0 111.951 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 512' ' ' ILE . 84.3 mt -57.18 -11.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.741 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -147.27 34.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.704 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.64 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -159.96 -36.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.673 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.494 ' O ' ' OG1' ' A' ' 516' ' ' THR . 2.7 t -35.91 -55.06 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.472 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' A' ' 515' ' ' SER . 7.0 m -170.19 -63.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.441 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' A' ' 518' ' ' LEU . 74.9 m-20 -132.27 -69.21 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.451 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.597 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.3 mm? 56.25 150.96 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.48 107.31 0.1 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.762 2.308 . . . . 0.0 112.0 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 13.3 pt -65.88 -15.53 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -66.84 -80.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.528 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 31.0 p -51.98 -45.92 64.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.52 -41.56 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -48.04 -52.99 17.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 28.6 mtt -64.36 -41.9 96.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.613 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.66 -44.74 66.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.517 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 16.5 m -63.96 -31.55 72.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.577 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.0 OUTLIER -59.29 -42.79 92.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.521 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.8 64.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.448 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.2 tt -47.59 -49.07 27.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.527 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -73.67 -53.18 10.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.509 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -46.32 -30.03 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.526 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.5 t -88.87 -48.66 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.572 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -75.56 18.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.451 ' H ' ' C ' ' A' ' 533' ' ' VAL . 13.4 p -53.79 -30.42 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.544 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -94.24 -61.47 1.08 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 70.0 p -57.7 -168.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.6 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 41.3 t -168.6 143.57 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -160.78 138.67 9.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.564 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.87 -36.33 42.29 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -45.82 -44.65 14.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.521 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 95.7 mt -57.22 -61.49 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.539 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 8.2 m -44.77 -53.13 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.503 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.408 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 47.2 p -56.62 -39.85 74.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.418 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 545' ' ' SER . . . . . 0.506 ' OG ' HD11 ' A' ' 510' ' ' LEU . 7.0 m -63.17 -50.39 70.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 0.0 110.02 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -31.35 52.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.222 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.38 -46.45 60.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.455 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 544' ' ' THR . 63.0 m-20 -52.36 -36.37 53.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -74.05 -40.55 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.598 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' PHE . . . . . 0.56 ' CE1' HD21 ' A' ' 566' ' ' LEU . 3.0 m-85 -53.11 -62.46 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.539 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' A' ' 551' ' ' LEU . 31.3 mt -57.57 -59.98 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 553' ' ' ARG . 86.2 mt-10 -48.75 -80.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 552' ' ' GLU . 28.0 ttp180 58.88 147.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.533 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.535 HG22 HD13 ' A' ' 556' ' ' ILE . 0.2 OUTLIER -105.6 -26.31 11.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.508 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 55.61 7.92 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.094 0.473 . . . . 0.0 109.869 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.535 HD13 HG22 ' A' ' 554' ' ' THR . 0.9 OUTLIER -68.61 -27.68 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.589 -179.741 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -118.78 78.31 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.512 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.478 HD23 ' H ' ' A' ' 558' ' ' LEU . 0.4 OUTLIER -91.7 -9.65 43.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.568 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -57.09 -91.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.648 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.5 HG22 ' N ' ' A' ' 561' ' ' ASP . 90.5 m -57.21 158.95 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.554 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.5 ' N ' HG22 ' A' ' 560' ' ' THR . 2.4 p-10 -66.61 172.6 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.57 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -172.02 -39.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.587 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 563' ' ' VAL . 7.3 p -63.73 -14.18 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -67.37 -77.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.63 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -56.83 -49.34 75.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.56 HD21 ' CE1' ' A' ' 550' ' ' PHE . 10.3 tp -47.61 -49.25 27.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -58.17 -61.74 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.586 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 571' ' ' GLY . 83.7 mt -42.01 -56.8 2.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -41.13 -68.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.61 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 47.9 tp -46.07 -23.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.505 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 573' ' ' LEU . . . -82.23 -77.55 1.05 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.3 pt -53.54 -8.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 110.601 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.447 ' H ' ' C ' ' A' ' 571' ' ' GLY . 19.8 tp -49.97 -58.76 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.485 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -84.42 -175.96 6.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.615 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 575' ' ' MET . . . . . 0.484 ' C ' ' H ' ' A' ' 577' ' ' GLN . 24.1 ttt -172.49 -40.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -65.59 6.28 1.36 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.484 ' H ' ' C ' ' A' ' 575' ' ' MET . 72.2 mt-30 52.19 -115.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.552 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 76.01 161.09 10.28 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -64.81 -16.17 62.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.566 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 577' ' ' GLN . 17.8 pt20 -48.15 -42.12 28.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' A' ' 580' ' ' GLN . 87.4 t -60.88 -43.46 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.13 -43.47 61.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.26 -55.11 23.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 95.9 t -42.56 -59.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 10.0 mp -48.24 -39.99 23.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.404 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -54.3 -40.6 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.318 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 590' ' ' ALA . 4.1 m -61.8 -59.91 4.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.386 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 89.8 mt -43.82 -31.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.328 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 7.8 t -88.89 -31.3 18.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.393 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -47.09 -39.19 12.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.436 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 4.4 pt -84.64 123.47 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.463 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.434 ' N ' ' CD ' ' A' ' 592' ' ' GLU . 12.1 mp0 -54.19 164.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.46 ' O ' ' SD ' ' A' ' 595' ' ' MET . 2.7 m-70 53.0 72.81 1.06 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.534 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.86 96.56 1.06 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.979 2.453 . . . . 0.0 111.861 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.46 ' SD ' ' O ' ' A' ' 593' ' ' HIS . 0.0 OUTLIER -76.91 -24.58 52.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 599' ' ' ILE . 26.9 p -85.7 2.18 46.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.534 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 597' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 596' ' ' THR . 31.7 t -33.78 -40.41 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.698 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -52.3 -50.15 62.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 599' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 599' ' ' ILE . 1.8 mp -70.1 -36.2 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.413 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -51.31 -43.75 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.468 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 55.4 t -71.84 -38.3 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 14.9 tp -57.04 -73.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 62.5 t -47.37 -52.84 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -45.79 -50.4 11.57 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 24.1 p -51.96 -32.24 32.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.468 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 55.4 m -85.31 -170.58 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 51.24 -144.55 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -69.16 131.0 44.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 11.2 t -48.71 171.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 175.36 -97.59 0.11 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 87.9 m -50.2 -20.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 117.984 -1.454 . . . . 0.0 110.917 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 29.2 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -101.47 111.38 23.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.678 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 pt -112.89 153.46 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.6 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -109.6 157.03 19.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 74.4 t -132.55 107.22 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -88.61 123.08 32.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.486 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 44.1 p -72.78 -140.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -134.43 38.82 3.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 40.8 p -147.44 -26.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.76 -4.25 3.58 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -85.47 143.3 28.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.806 0.336 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -134.61 137.91 44.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -110.42 173.58 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.499 ' C ' HD12 ' B' ' 15' ' ' LEU . 16.8 m -142.5 97.3 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.425 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.537 ' N ' HD12 ' B' ' 15' ' ' LEU . 10.5 mp -102.97 144.08 31.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -97.18 123.48 40.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.305 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' B' ' 56' ' ' LEU . 6.0 m -145.96 -164.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.817 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.571 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 4.6 mt-10 -146.03 147.74 33.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.307 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.28 -16.98 0.17 Allowed 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.826 2.351 . . . . 0.0 112.261 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.417 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -88.08 -27.41 21.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.798 -179.804 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.571 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -50.1 141.4 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.704 -179.851 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.496 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.9 p -94.11 139.85 30.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.588 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.6 mm -40.58 -50.41 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -50.34 -44.65 54.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.548 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -60.52 -40.26 90.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.476 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.18 -57.29 12.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.312 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -47.1 -41.99 18.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.326 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.35 90.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.446 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -57.44 -35.63 70.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.485 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 6.5 mt -68.41 -48.7 71.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.381 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -54.98 -31.54 60.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.485 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -77.3 -27.33 52.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.513 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -78.42 -59.89 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -93.32 -106.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.553 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.75 10.94 0.05 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 21.5 mt -83.63 119.81 74.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.687 0.28 . . . . 0.0 110.505 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -72.69 146.46 43.36 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.709 2.273 . . . . 0.0 111.971 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.551 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.08 -60.41 0.87 Allowed 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.859 2.373 . . . . 0.0 111.964 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -44.21 -15.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.674 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' B' ' 38' ' ' PRO . 58.7 mm-40 -119.92 40.3 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.503 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' B' ' 38' ' ' PRO . 70.5 mt-30 -133.39 153.57 51.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.56 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -155.74 89.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.464 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.62 126.09 31.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.52 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 28.0 mt -127.18 134.8 65.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.502 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -143.87 143.71 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.594 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.1 27.96 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.522 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.27 33.71 73.78 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -144.23 130.72 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.783 0.325 . . . . 0.0 110.573 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' B' ' 50' ' ' LEU . 19.6 tm0? -74.44 131.96 41.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.465 ' O ' ' NE2' ' B' ' 49' ' ' GLN . 22.1 mt -81.69 107.5 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -70.05 150.6 46.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.475 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.36 151.21 45.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.89 -55.75 1.88 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.4 ' H ' ' HG2' ' B' ' 54' ' ' ARG . 15.1 mmt180 -53.22 170.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.741 0.305 . . . . 0.0 110.708 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.496 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 41.4 p -108.45 168.43 9.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.634 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' B' ' 17' ' ' VAL . 86.4 mt -63.4 -34.74 78.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.621 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.527 ' C ' ' H ' ' B' ' 59' ' ' TYR . 60.7 p -60.85 -30.8 70.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.65 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.527 ' O ' ' CD1' ' B' ' 59' ' ' TYR . 2.0 m-20 -72.6 25.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.527 ' CD1' ' O ' ' B' ' 58' ' ' ASP . 74.0 m-85 -154.67 11.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.462 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 54.25 27.46 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.2 mt -76.28 93.32 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -78.74 -157.59 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.596 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -84.88 158.31 20.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.729 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 57.64 35.32 25.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.793 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.5 m -93.17 136.24 33.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.529 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -89.72 109.01 20.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.538 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mp -89.3 112.45 23.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -72.82 98.83 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 19.4 tp -85.4 114.3 22.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.554 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -119.4 159.09 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.655 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 36.6 mt -94.41 118.88 32.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.49 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.43 ' CG ' ' N ' ' B' ' 73' ' ' LEU . 22.3 ttp180 -67.0 166.0 14.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.43 ' N ' ' CG ' ' B' ' 72' ' ' ARG . 17.1 mt -40.62 122.56 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.533 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -73.39 135.39 44.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.579 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.22 -157.99 23.22 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.796 0 CA-C-O 118.015 -1.436 . . . . 0.0 110.957 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.411 ' N ' ' O ' ' C' ' 17' ' ' VAL . 30.0 ttp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -97.02 123.28 40.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.552 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 6.3 pt -127.72 151.57 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.64 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.455 ' O ' HD12 ' C' ' 67' ' ' LEU . 96.6 m-85 -106.18 148.54 27.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.612 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 64.6 t -133.68 110.93 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.425 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -93.44 130.02 39.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.593 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 81.5 p -95.43 141.92 28.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.447 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.566 ' O ' HD23 ' C' ' 8' ' ' LEU . 1.2 tt -47.28 -46.96 25.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 34.6 p -52.22 -44.84 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.49 83.92 0.4 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -174.49 123.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.609 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -97.95 140.8 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -130.79 131.5 64.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -101.08 120.45 40.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.423 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -120.24 134.45 55.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.791 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' C' ' 16' ' ' GLU . 15.6 mp0 -91.22 87.37 6.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.7 m -111.87 -163.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.729 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.446 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 14.2 mt-10 -148.64 153.47 39.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.344 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.02 -46.49 13.13 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.924 2.416 . . . . 0.0 112.363 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.449 ' O ' ' C ' ' C' ' 21' ' ' ASP . 1.2 p -59.67 -45.47 91.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.9 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 1.9 m-20 -33.96 138.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.794 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 22' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 2.4 p -91.45 145.18 24.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.606 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 19.9 mm -44.01 -52.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.409 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -49.35 -40.49 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.352 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -61.81 -41.74 98.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.184 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.01 -49.0 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.252 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' LYS . . . . . 0.435 ' NZ ' ' O ' ' C' ' 41' ' ' GLN . 68.6 mttm -53.23 -38.1 62.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.271 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.16 80.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.424 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -56.77 -39.33 73.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.367 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.5 mt -67.25 -39.37 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.429 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -59.87 -36.97 78.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.498 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.99 -33.37 68.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -71.57 -60.15 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -90.64 -89.18 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.54 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.16 1.96 0.03 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -72.16 132.71 84.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.665 0.269 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.07 140.6 28.46 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.707 2.271 . . . . 0.0 111.87 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.01 -62.05 0.5 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.754 2.303 . . . . 0.0 112.055 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -40.96 -26.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.646 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' C' ' 38' ' ' PRO . 23.1 mt-30 -111.02 64.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.435 ' O ' ' NZ ' ' C' ' 27' ' ' LYS . 70.3 mt-30 -151.73 111.55 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.655 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -104.6 106.47 16.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.432 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -97.51 123.24 41.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.763 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 mt -116.49 146.14 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.485 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' PHE . . . . . 0.616 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 80.3 t80 -160.56 178.08 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.49 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 46' ' ' ALA . . . . . 0.616 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -43.36 -19.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.619 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 47' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -105.52 30.72 9.38 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 48' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' C' ' 45' ' ' PHE . 5.2 ttmm 62.53 -150.44 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.529 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.426 ' H ' ' CG ' ' C' ' 48' ' ' LYS . 46.1 mt-30 -71.79 133.73 45.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.5 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.0 117.35 29.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.679 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -76.97 158.71 30.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.576 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.27 164.62 25.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.581 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 53' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 84.72 -60.27 4.83 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' C' ' 53' ' ' GLY . 14.7 mmt85 -44.12 169.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 110.563 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 70.9 p -113.88 164.51 13.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.63 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.94 -1.26 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.545 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' SER . . . . . 0.46 ' C ' ' H ' ' C' ' 59' ' ' TYR . 4.9 t -93.66 -31.21 14.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.638 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -72.97 14.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.46 ' H ' ' C ' ' C' ' 57' ' ' SER . 56.6 m-85 -138.83 8.17 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.518 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 56.06 29.67 14.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 74.1 mt -78.34 91.82 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.376 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -78.06 -157.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.65 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -81.81 159.79 23.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.684 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 59.42 33.6 22.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.685 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 11.3 m -92.66 121.46 34.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.508 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 85.5 m -95.12 105.85 17.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 67' ' ' LEU . . . . . 0.455 HD12 ' O ' ' C' ' 4' ' ' PHE . 1.1 mp -100.54 146.76 26.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.589 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -87.91 149.32 24.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.217 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 47.1 tp -136.03 133.13 37.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.752 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 t -141.01 115.5 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.582 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.566 ' O ' HD12 ' C' ' 71' ' ' LEU . 0.3 OUTLIER -72.12 165.16 24.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.483 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -57.48 -65.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.496 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 23.7 tp -166.11 110.71 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.524 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 51.5 ttm-85 53.76 97.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.41 152.94 8.32 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 40.6 mt -81.0 -25.55 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 0.0 110.511 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -78.69 -1.27 33.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.571 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -42.17 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -87.6 11.94 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.598 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.431 ' O ' ' OG ' ' A' ' 500' ' ' SER . . . -42.96 -90.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 499' ' ' GLY . 5.4 m -167.29 35.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.573 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 71.2 tttt 62.77 99.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -116.09 156.69 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -84.8 1.14 48.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -83.96 -28.15 27.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.112 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.404 ' H ' HG23 ' A' ' 505' ' ' VAL . 4.8 t -55.05 -66.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.371 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.452 ' CD2' HD22 ' A' ' 530' ' ' LEU . 8.9 mt -71.64 -23.58 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.419 ' O ' HD12 ' A' ' 508' ' ' LEU . . . -68.11 -12.41 62.85 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 507' ' ' GLY . 2.6 mp -124.13 -45.2 2.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 110.722 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.1 -55.5 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.903 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.603 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 8.7 tp -45.12 -60.11 3.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.69 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.603 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.5 Cg_endo -48.02 -52.2 8.66 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.414 2.076 . . . . 0.0 111.662 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.434 ' O ' HG22 ' A' ' 512' ' ' ILE . 85.5 mt -55.89 -14.9 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.601 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.41 ' HB2' ' HB1' ' A' ' 523' ' ' ALA . . . -139.61 32.54 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.733 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.481 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -153.71 -37.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.781 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 514' ' ' ALA . 17.9 t -31.95 -58.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.675 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 515' ' ' SER . 22.7 m -171.41 -45.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.422 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.535 ' O ' ' O ' ' A' ' 518' ' ' LEU . 52.6 t0 -146.01 -76.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.42 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.609 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.2 mm? 55.03 149.43 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.43 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.03 132.0 10.98 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.779 2.319 . . . . 0.0 111.908 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 98.7 mt -74.93 -38.57 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 524' ' ' ALA . 48.8 mt-10 -49.81 -80.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 7.3 m -45.0 -46.26 11.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 513' ' ' ALA . . . -56.42 -32.87 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 521' ' ' GLU . . . -58.23 -60.55 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.485 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 25.2 mtt -55.59 -32.52 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.532 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -67.04 -47.09 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.554 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 9.1 t -51.35 -43.06 61.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.48 -42.73 98.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . 0.486 ' O ' HG23 ' A' ' 533' ' ' VAL . . . -50.95 -40.1 56.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.609 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.452 HD22 ' CD2' ' A' ' 506' ' ' LEU . 16.7 mt -67.19 -43.61 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -56.25 -72.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.626 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . 0.404 ' O ' HG12 ' A' ' 535' ' ' VAL . 16.1 t-80 -42.97 -51.32 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.691 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.519 ' C ' ' H ' ' A' ' 535' ' ' VAL . 82.7 t -61.2 -73.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.583 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -73.11 29.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.568 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.519 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -59.38 -30.36 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.551 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.14 -79.35 0.87 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 537' ' ' THR . 12.9 t -85.32 125.88 33.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.592 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 20.8 p -114.53 160.28 19.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.5 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -135.55 156.48 48.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -71.19 -48.09 33.55 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -43.72 -37.25 2.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 0.0 110.577 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.81 -47.15 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.639 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.5 m -69.19 -56.29 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.628 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 70.3 p -41.27 -56.24 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.592 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 58.8 p -58.18 -51.14 70.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 0.0 110.291 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -26.19 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.32 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.9 tpt -76.01 -48.8 19.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -47.32 -44.63 23.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.42 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -68.56 -35.9 78.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.518 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . 0.453 ' CE1' ' NH1' ' A' ' 553' ' ' ARG . 13.7 t80 -55.56 -43.06 75.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.521 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 553' ' ' ARG . 24.4 mt -70.59 -46.26 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -50.01 -14.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.453 ' NH1' ' CE1' ' A' ' 550' ' ' PHE . 29.5 ttp180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.488 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.766 0.317 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.416 ' H ' ' H ' ' A' ' 563' ' ' VAL . 30.0 p-90 -178.17 -9.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.621 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.416 ' H ' ' H ' ' A' ' 562' ' ' TRP . 11.8 p -63.86 -31.08 51.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.561 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -62.42 -64.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -51.57 -44.62 62.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 569' ' ' ALA . 27.7 tp -55.16 -49.14 72.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.514 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.37 -63.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.629 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' A' ' 568' ' ' LEU . 14.1 mt -43.21 -32.88 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 566' ' ' LEU . . . -62.56 -60.34 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.592 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 39.9 mt -55.15 -12.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -94.36 -78.2 1.4 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 3.5 tp -42.38 -32.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.548 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.7 tp -44.72 -63.08 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -83.33 -176.67 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 4.5 ptt? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.532 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -65.25 -61.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.526 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 41.4 t -57.0 -40.25 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.559 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -49.62 -42.39 44.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.47 -38.12 80.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.583 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 44.4 t -58.28 -55.44 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 49.5 mt -55.87 -32.16 63.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.476 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -66.21 -36.48 83.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.412 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 31.6 m -68.95 -53.98 17.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 94.0 mt -46.55 -39.8 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.573 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 25.5 p -75.09 -27.59 59.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 587' ' ' THR . . . -57.07 -37.18 71.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.549 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 9.0 pt -102.93 68.02 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 60.7 -168.12 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.598 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 2.7 p-80 -138.11 77.57 36.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . 0.485 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.06 -158.14 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.963 2.442 . . . . 0.0 111.966 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.438 ' C ' ' H ' ' A' ' 597' ' ' SER . 50.0 mtt -64.39 4.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.485 ' H ' ' C ' ' A' ' 594' ' ' PRO . 38.0 p -60.12 -4.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.581 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 595' ' ' MET . 22.9 p -45.86 -46.74 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -47.68 -45.44 28.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.529 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 14.9 mm -69.75 -46.83 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.584 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -49.66 -59.65 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.8 -66.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 57.1 tp -44.13 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 42.2 t -51.8 -28.16 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.552 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.44 -40.17 96.15 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 8.3 t -64.97 -52.21 57.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.552 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 52.2 t -81.36 128.29 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -105.38 107.56 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.417 HG12 HG22 ' B' ' 17' ' ' VAL . 14.2 pt -104.2 155.45 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.632 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -116.24 153.32 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.638 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -129.78 106.16 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.365 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -80.76 125.97 30.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.65 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.404 ' C ' ' H ' ' B' ' 9' ' ' THR . 33.5 p -90.11 156.09 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.398 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.73 44.45 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.523 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.404 ' H ' ' C ' ' B' ' 7' ' ' THR . 25.1 p -143.73 -43.98 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.62 -15.42 1.81 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -82.96 139.42 33.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.4 m -118.44 120.94 39.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.479 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -95.53 129.38 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.665 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.7 m -103.87 124.56 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.422 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.6 mt -131.58 141.5 49.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.752 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -91.67 110.64 21.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.346 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.519 HG21 ' CD1' ' B' ' 56' ' ' LEU . 10.7 m -126.38 -173.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.746 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.479 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 7.5 mt-10 -126.32 172.75 5.97 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.183 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.64 -17.6 18.06 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.851 2.367 . . . . 0.0 112.16 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.7 t -97.81 -11.83 22.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.641 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 36.1 m-20 -55.59 137.1 49.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.525 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.0 p -86.66 139.45 30.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.0 mm -45.77 -50.49 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.23 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -48.61 -40.93 29.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.167 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.585 ' ND2' ' NZ ' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -62.28 -45.49 93.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.222 179.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.22 -52.61 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.23 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -51.46 -38.7 55.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.172 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.43 98.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.272 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.585 ' NZ ' ' ND2' ' B' ' 25' ' ' ASN . 56.7 mttp -61.93 -37.78 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.44 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mt -66.71 -36.77 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.485 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -66.76 -34.7 78.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.46 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -72.71 -26.21 61.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -84.01 -64.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -81.76 -108.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.5 12.34 0.04 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 80.1 mt -87.54 126.06 63.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.648 0.261 . . . . 0.0 110.523 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -72.91 146.33 41.88 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.566 2.177 . . . . 0.0 111.952 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.661 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -45.95 -50.03 10.34 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.817 2.345 . . . . 0.0 112.054 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.88 21.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.703 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.661 ' H ' ' C ' ' B' ' 38' ' ' PRO . 21.1 mt-30 -151.85 48.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.476 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -147.79 148.03 30.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.401 ' HE ' ' CD ' ' B' ' 49' ' ' GLN . 54.9 ttt180 -142.1 96.1 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.501 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.429 HD23 ' N ' ' B' ' 43' ' ' LEU . 4.2 mt -84.38 127.42 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mt -127.94 145.74 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -145.47 136.12 24.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.05 27.46 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.85 38.57 30.76 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -142.17 118.63 10.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.596 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.401 ' CD ' ' HE ' ' B' ' 42' ' ' ARG . 6.8 tt0 -72.64 136.31 45.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -92.43 137.11 32.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.558 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -102.6 148.98 24.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.58 178.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.538 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 69.05 -63.8 0.51 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' B' ' 53' ' ' GLY . 4.4 mpt_? -41.61 166.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.602 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.5 p -118.08 166.03 13.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.565 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.519 ' CD1' HG21 ' B' ' 17' ' ' VAL . 82.6 mt -63.85 -3.22 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.1 p -96.69 -21.28 17.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.535 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.98 9.03 11.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.472 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -135.89 11.15 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 55.06 32.46 18.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.714 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.7 mt -82.44 94.62 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.413 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -77.59 -160.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -84.33 160.31 20.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.727 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 60.28 30.78 20.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.809 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.6 m -90.62 128.89 36.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.444 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 28.2 m -91.12 92.36 8.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.534 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.88 126.38 30.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.89 108.23 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.451 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 16.9 tp -87.91 101.15 13.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.09 149.08 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.48 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.573 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.7 mm? -90.99 118.9 30.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.586 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -73.7 99.85 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.475 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 9.7 pt -100.28 158.8 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -114.7 145.65 41.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.622 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.58 105.89 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.496 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -88.75 130.76 35.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.615 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 81.0 p -96.73 141.94 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.46 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.511 ' O ' HD23 ' C' ' 8' ' ' LEU . 1.0 OUTLIER -48.52 -47.94 38.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.496 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 44.0 p -48.63 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.67 74.22 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -167.59 127.55 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.606 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 36.8 m -102.62 129.77 49.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.464 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mt -116.33 129.71 72.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.61 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 10.3 m -93.61 123.45 36.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.414 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 26.6 mt -131.55 129.79 41.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' C' ' 16' ' ' GLU . 27.1 mp0 -88.29 104.21 16.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.302 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.437 HG21 ' CD1' ' C' ' 56' ' ' LEU . 8.7 m -124.21 -177.13 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.564 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 3.7 mt-10 -124.44 175.03 3.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.202 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.15 -22.04 14.95 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.803 2.335 . . . . 0.0 112.171 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 6.9 t -93.84 -6.17 46.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.622 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.564 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 19.2 m-20 -61.93 137.85 58.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.532 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.6 p -88.01 140.19 29.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.747 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 40.7 mm -46.21 -47.82 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.305 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -51.95 -40.35 60.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.27 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.587 HD21 ' HZ1' ' C' ' 29' ' ' LYS . 0.2 OUTLIER -62.34 -43.48 98.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.127 179.656 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.48 -47.88 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.205 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -54.04 -42.07 68.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.358 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -44.62 93.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.349 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . 0.587 ' HZ1' HD21 ' C' ' 25' ' ' ASN . 55.4 mttp -59.2 -41.5 88.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.377 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.6 mt -62.32 -45.02 99.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.383 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -57.48 -37.85 73.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.402 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -68.94 -24.86 64.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.495 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -82.47 -64.38 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.518 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -88.86 -101.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.42 19.22 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.544 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 74.0 mt -87.23 108.71 20.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.643 0.258 . . . . 0.0 110.516 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.75 138.13 11.74 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.651 2.234 . . . . 0.0 111.915 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.552 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.66 -44.83 21.0 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.771 2.314 . . . . 0.0 112.092 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -70.05 28.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.793 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.552 ' H ' ' C ' ' C' ' 38' ' ' PRO . 20.0 mt-30 -155.0 47.43 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 67.3 mt-30 -150.69 98.13 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -88.34 104.4 16.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.394 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 63.1 mt -88.08 137.03 32.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.697 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 mt -140.88 140.64 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.553 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . 0.589 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 53.0 t80 -126.35 -178.87 4.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -38.44 -40.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.16 -92.81 0.08 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -146.32 -142.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.574 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -86.61 138.18 31.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 mt -91.84 132.34 36.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.618 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -98.84 159.75 14.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.611 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.3 OUTLIER -64.98 165.61 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 82.95 -68.72 3.51 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.0 mmt180 -39.6 161.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 110.516 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.476 ' C ' ' H ' ' C' ' 57' ' ' SER . 39.9 p -113.44 163.35 14.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.568 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.437 ' CD1' HG21 ' C' ' 17' ' ' VAL . 70.2 mt -64.24 3.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.637 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . 0.476 ' H ' ' C ' ' C' ' 55' ' ' THR . 3.1 t -95.65 -26.02 15.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.643 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.14 18.87 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.572 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' C' ' 60' ' ' ASN . 86.5 m-85 -141.47 -9.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' C' ' 59' ' ' TYR . 10.4 t-20 76.17 10.79 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.705 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -58.65 106.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.494 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -84.54 -157.72 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.664 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -87.01 160.64 18.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.729 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 56.72 27.47 12.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.776 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -87.97 134.46 33.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.587 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 7.9 m -89.9 111.82 22.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mt -101.63 121.99 43.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -71.13 142.4 50.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.209 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . 0.737 ' C ' HD23 ' C' ' 69' ' ' LEU . 6.3 tt -134.8 121.22 20.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.599 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.64 ' N ' HD23 ' C' ' 69' ' ' LEU . 16.9 t -119.39 104.3 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.437 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.735 ' H ' HD23 ' C' ' 71' ' ' LEU . 1.8 pt? -77.54 147.21 35.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.684 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -84.22 91.59 7.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 24.0 mt 60.65 164.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -46.23 126.11 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.658 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . 0.425 ' HA2' HE22 ' C' ' 40' ' ' GLN . . . -66.6 -83.38 0.11 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 9.0 tp -76.51 -26.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.491 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 498' ' ' ALA . . . -53.66 -51.38 63.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.41 ' O ' ' OG ' ' A' ' 500' ' ' SER . 63.0 m-85 -42.54 -22.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.664 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 496' ' ' ALA . . . -43.64 -35.05 1.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -96.66 57.34 1.34 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 497' ' ' PHE . 12.8 p -174.42 -82.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 110.571 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 45.8 tttp 65.38 33.75 8.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.533 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 7.9 t-20 -90.79 -169.54 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . 0.533 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 68.1 m-20 -89.99 6.28 42.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.418 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -81.57 -33.11 31.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.226 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.443 HG23 ' H ' ' A' ' 505' ' ' VAL . 2.1 t -53.35 -60.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.388 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.9 mp -75.0 -17.56 60.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.463 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -67.69 -18.14 69.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 19.6 mt -119.61 -43.81 2.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.731 0.301 . . . . 0.0 110.755 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.7 mp -67.39 -56.71 8.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.94 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.63 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 7.1 tp -45.07 -60.54 3.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.734 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.63 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -47.61 -47.46 18.09 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.474 2.116 . . . . 0.0 111.799 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.47 -17.87 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.67 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -128.75 1.33 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.625 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -131.29 -4.96 3.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 511' ' ' PRO . 3.2 t -45.47 -67.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -178.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 515' ' ' SER . 2.0 m -169.17 -57.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.523 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -159.65 59.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.633 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 95.8 mt -82.75 150.5 62.58 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.71 139.21 7.62 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.816 2.344 . . . . 0.0 111.991 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 520' ' ' ILE . 62.4 mt -75.19 -4.07 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.504 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -64.78 -41.58 95.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 524' ' ' ALA . 7.4 m -101.36 -55.49 2.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.665 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.412 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -39.99 -28.48 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.694 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 522' ' ' THR . . . -70.63 -64.79 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.515 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 36.3 mtt -46.16 -52.65 11.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -48.51 -41.52 30.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.53 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 523' ' ' ALA . 3.7 m -56.55 -36.2 69.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.487 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 21.8 mt -74.87 -16.86 60.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.568 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -76.76 -49.19 16.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.565 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.74 -35.58 81.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.557 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -61.71 -62.21 1.96 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.531 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -45.46 -44.98 12.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.539 ' C ' ' H ' ' A' ' 535' ' ' VAL . 78.2 t -73.1 -71.55 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.585 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -71.76 30.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.672 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.5 p -55.29 -40.87 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.582 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.508 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -85.1 -87.43 0.92 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 537' ' ' THR . 9.0 t -61.45 121.84 13.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 110.588 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 44.7 t -113.14 168.82 9.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.514 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.583 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 18.8 m-20 -133.65 -178.1 4.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.565 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -97.97 -53.12 1.31 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -42.03 -42.44 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.563 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 82.7 mt -54.91 -48.6 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.617 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 89.4 m -62.76 -61.54 2.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.409 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 63.6 p -44.93 -50.1 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.472 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 81.9 p -59.6 -42.29 92.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.372 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . 0.401 ' O ' ' CD1' ' A' ' 550' ' ' PHE . 0.3 OUTLIER -66.64 -30.6 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.361 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 76.9 mmm -75.76 -43.69 45.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.479 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' C' ' 72' ' ' ARG . 46.9 m-20 -53.85 -38.34 64.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.512 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -72.56 -41.83 65.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.515 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 546' ' ' ILE . 3.0 m-85 -51.17 -50.39 59.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.474 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.561 HD22 HD13 ' A' ' 591' ' ' ILE . 36.5 mt -69.41 -47.16 65.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.497 ' OE2' ' NH1' ' C' ' 72' ' ' ARG . 36.5 mt-10 -77.93 21.73 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.559 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.567 ' NH1' ' CH2' ' A' ' 562' ' ' TRP . 31.3 ttp85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.511 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.819 0.342 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.567 ' CH2' ' NH1' ' A' ' 553' ' ' ARG . 64.9 p-90 -176.78 -38.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.496 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.495 ' N ' ' CD2' ' A' ' 562' ' ' TRP . 11.6 p -64.7 -23.19 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.619 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -67.46 -36.04 80.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.58 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -75.78 -63.21 1.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.8 mp -44.21 -41.24 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.628 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.4 87.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.518 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . 0.463 ' HA ' HD22 ' A' ' 568' ' ' LEU . 0.2 OUTLIER -59.16 -70.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.472 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -44.77 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.624 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 56.6 tp -43.32 -24.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -82.7 -78.86 1.03 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.4 tt -46.76 -20.35 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.621 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.413 ' N ' ' C ' ' A' ' 571' ' ' GLY . 19.5 tp -44.89 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.508 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -82.35 121.85 27.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.527 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 48.2 mtm . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.6 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.769 0.319 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.427 ' N ' HE21 ' A' ' 580' ' ' GLN . 7.1 mm-40 -50.76 -54.34 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 98.2 t -55.86 -47.13 80.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -45.75 -39.49 8.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.48 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.26 -43.54 81.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.504 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 54.0 t -54.04 -55.5 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 19.2 mt -50.72 -44.74 58.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.496 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -52.7 -37.95 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.523 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 22.8 m -62.08 -46.49 88.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.409 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 58.7 mt -51.61 -36.62 18.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.498 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 21.6 p -83.96 -28.54 27.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -57.12 -51.07 70.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.561 HD13 HD22 ' A' ' 551' ' ' LEU . 13.4 tt -81.25 154.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.553 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.531 ' O ' ' ND1' ' A' ' 593' ' ' HIS . 30.9 tt0 -64.49 94.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.591 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.531 ' ND1' ' O ' ' A' ' 592' ' ' GLU . 9.8 m-70 -160.79 73.57 2.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.477 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -9.18 19.97 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.982 2.455 . . . . 0.0 111.956 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.437 ' C ' ' H ' ' A' ' 597' ' ' SER . 45.3 mtt -78.0 -45.12 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 68.1 p -60.82 -3.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.546 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 595' ' ' MET . 15.7 t -48.82 -30.22 5.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.543 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.9 -48.46 79.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.8 -36.56 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -56.41 -38.62 71.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 84.5 t -69.63 -40.94 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.495 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 12.5 tp -56.23 -75.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 17.3 t -52.27 -36.16 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -59.34 -48.2 87.15 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 18.6 p -54.95 -41.27 70.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 74.1 m -84.41 173.18 11.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.535 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.586 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.8 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -88.12 115.86 25.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.621 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -118.64 155.7 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.636 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -114.61 147.01 40.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.866 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -125.31 101.14 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.19 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -87.92 134.69 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.753 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.47 ' C ' ' H ' ' B' ' 9' ' ' THR . 1.5 p -111.19 167.6 10.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.452 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.23 40.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.493 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.47 ' H ' ' C ' ' B' ' 7' ' ' THR . 22.3 p -146.07 15.25 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.47 -15.79 4.33 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' B' ' 9' ' ' THR . 72.6 tttt -69.56 133.57 47.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.677 0.275 . . . . 0.0 110.615 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -125.71 109.58 12.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -90.37 127.42 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.683 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -99.15 120.72 39.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.302 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.7 mt -128.65 139.12 52.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.803 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -88.37 124.65 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.296 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -143.8 -164.76 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.707 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' B' ' 21' ' ' ASP . 23.0 mt-10 -149.15 152.56 36.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.461 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.1 -49.61 9.79 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.991 2.461 . . . . 0.0 112.25 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.445 ' O ' ' C ' ' B' ' 21' ' ' ASP . 0.9 OUTLIER -56.83 -42.76 80.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.932 -179.689 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' B' ' 18' ' ' GLU . 6.7 m-20 -35.83 142.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.79 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.7 p -97.26 146.66 24.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.6 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 20.0 mm -47.59 -54.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.365 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -45.95 -42.93 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.364 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.475 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 25.0 t-20 -59.98 -47.51 85.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.249 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.4 t -55.98 -52.21 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.228 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -51.67 -31.87 27.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.16 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -68.16 -43.13 78.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.301 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -62.19 -37.54 85.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.399 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 6.3 mt -69.36 -40.37 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.378 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -61.01 -35.9 78.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.495 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -72.01 -35.06 69.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.516 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -71.12 -62.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.472 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -88.5 -108.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.498 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.2 9.59 0.05 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 15.0 mt -83.24 118.11 70.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.704 0.288 . . . . 0.0 110.499 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -72.62 144.89 40.72 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.613 2.209 . . . . 0.0 111.973 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.635 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.16 -49.93 10.73 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.782 2.321 . . . . 0.0 111.909 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -59.35 9.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.635 ' H ' ' C ' ' B' ' 38' ' ' PRO . 78.4 mm-40 -143.44 54.7 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -151.0 164.44 36.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.58 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.455 ' HE ' ' CD ' ' B' ' 49' ' ' GLN . 58.9 ttt180 -157.29 90.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.535 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.1 mt -78.87 116.63 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.559 HD12 HG21 ' B' ' 70' ' ' VAL . 12.9 mt -118.5 138.41 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -136.46 132.53 35.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.475 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.24 17.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.447 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.24 -11.77 68.75 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.46 ' NZ ' ' C ' ' C' ' 75' ' ' GLY . 31.0 mttm -88.0 120.24 29.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.527 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.455 ' CD ' ' HE ' ' B' ' 42' ' ' ARG . 47.2 tt0 -75.43 125.82 29.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.564 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.404 HD22 ' CG ' ' B' ' 59' ' ' TYR . 20.3 mt -82.76 128.96 34.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -92.41 159.73 15.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.572 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.73 161.67 30.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.555 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 83.75 -57.21 5.06 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' B' ' 53' ' ' GLY . 13.9 mmt180 -43.9 169.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 0.0 110.624 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 56.1 p -115.39 160.9 19.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.711 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.2 -8.91 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.7 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -91.42 -13.83 31.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.641 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -86.3 7.59 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.404 ' CG ' HD22 ' B' ' 50' ' ' LEU . 66.6 m-85 -133.72 5.37 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.549 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 65.11 11.61 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.712 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.91 96.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.422 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -81.09 -171.05 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.693 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -74.37 158.63 33.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 57.53 40.53 26.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.885 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 73.6 m -94.14 154.03 17.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.296 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -109.7 92.33 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.566 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.71 121.13 24.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.6 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -79.78 103.37 9.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.1 tp -80.73 91.7 5.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.465 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.559 HG21 HD12 ' B' ' 44' ' ' ILE . 2.4 t -95.7 154.31 3.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.612 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.555 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.9 mm? -94.52 139.46 31.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.491 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.523 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.464 ' N ' ' O ' ' C' ' 17' ' ' VAL . 29.4 ttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -121.48 115.68 23.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 pt -116.77 154.96 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.743 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.434 ' O ' HD12 ' C' ' 67' ' ' LEU . 86.9 m-85 -110.25 141.84 42.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.506 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 69.6 t -119.88 114.0 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.433 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -94.39 134.29 37.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.575 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 59.2 p -94.54 142.27 27.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.535 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.597 ' O ' HD23 ' C' ' 8' ' ' LEU . 0.8 OUTLIER -55.54 -24.69 33.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.517 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 75.9 p -71.32 -64.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.43 72.73 0.01 OUTLIER Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -172.83 132.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.612 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -104.27 152.72 21.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.483 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.401 HD13 HG21 ' C' ' 13' ' ' ILE . 4.1 mt -137.03 130.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.703 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 9.3 m -93.27 121.06 34.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.304 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.3 mt -123.91 128.51 49.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -89.13 118.5 28.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.152 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.48 HG21 ' CD1' ' C' ' 56' ' ' LEU . 10.3 m -144.6 -174.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.619 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 4.1 mt-10 -129.5 145.21 55.96 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.375 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.26 -15.66 0.19 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.848 2.366 . . . . 0.0 112.362 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 8.5 t -96.57 -19.35 19.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.312 . . . . 0.0 110.826 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.619 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 1.0 OUTLIER -43.09 136.36 2.86 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 172.174 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.0 p -89.68 141.52 28.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.49 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mm -42.66 -57.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.621 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -46.8 -40.15 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -62.02 -43.34 99.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.329 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.1 -47.57 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.161 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -53.19 -41.76 65.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.214 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.71 84.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.34 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -55.29 -39.07 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.299 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.8 mt -66.37 -42.42 90.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.391 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -57.58 -36.72 72.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.44 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -71.07 -35.27 71.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -68.76 -56.27 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.548 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -96.65 -82.31 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.82 32.37 0.03 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 30.4 mt -103.0 114.14 65.43 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.656 0.265 . . . . 0.0 110.528 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -46.31 136.27 15.05 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.6 2.2 . . . . 0.0 111.734 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.23 -63.42 0.33 Allowed 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.793 2.329 . . . . 0.0 112.006 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -39.64 -35.35 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -94.97 59.84 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.707 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 59.9 mt-30 -157.02 134.11 10.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.584 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -126.96 108.27 10.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.427 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 27.4 mt -99.44 120.87 40.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.759 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 90.5 mt -122.12 129.51 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.406 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . 0.59 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 52.6 t80 -117.12 165.84 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.555 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . 0.59 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -40.14 -40.85 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.75 -67.63 2.0 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -173.7 -160.7 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.501 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -80.23 128.34 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.5 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . 0.443 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 10.8 mt -79.85 115.66 19.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.557 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -82.96 158.99 22.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.16 104.8 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.546 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 144.95 -67.47 0.42 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' C' ' 53' ' ' GLY . 10.0 mmt85 -44.63 173.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.725 0.297 . . . . 0.0 110.597 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.491 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 72.9 p -115.68 172.4 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.536 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.48 ' CD1' HG21 ' C' ' 17' ' ' VAL . 56.2 mt -70.91 2.49 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.781 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . 0.491 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 23.1 p -93.42 -27.46 16.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.789 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.07 -1.39 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.679 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.443 ' CD2' ' CD2' ' C' ' 50' ' ' LEU . 61.1 m-85 -122.15 13.45 10.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.527 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 47.63 37.56 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.709 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 70.0 mt -84.82 98.17 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.487 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -79.39 -159.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -86.77 159.77 19.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.689 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 57.29 33.51 23.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.712 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m -97.74 131.74 43.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.609 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 9.2 m -91.91 128.57 37.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . 0.456 HD12 ' N ' ' C' ' 67' ' ' LEU . 5.6 mp -107.34 172.06 7.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.606 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -119.57 102.31 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.394 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 46.6 tp -93.3 132.61 37.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.453 ' C ' HD12 ' C' ' 71' ' ' LEU . 9.5 t -134.16 133.97 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.518 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.71 HD12 ' N ' ' C' ' 71' ' ' LEU . 7.2 mp -92.93 128.41 38.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.491 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . 0.497 ' NH1' ' OE2' ' A' ' 552' ' ' GLU . 8.3 ttt85 -41.96 -39.57 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.366 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 56.0 tp 179.74 149.11 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.363 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -41.18 131.11 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.521 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . 0.46 ' C ' ' NZ ' ' B' ' 48' ' ' LYS . . . -173.87 -84.55 0.06 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.656 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.705 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 25.0 pt -84.58 13.62 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 110.655 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -93.96 -60.26 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.576 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -85.45 23.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -52.49 -67.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -91.79 88.43 1.36 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 55.2 m -160.07 -54.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.541 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.526 ' HZ2' HG21 ' A' ' 537' ' ' THR . 23.3 mmtp 50.15 74.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.587 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.421 ' C ' ' H ' ' A' ' 504' ' ' GLU . 4.6 m-20 -122.93 149.12 44.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.51 -2.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 502' ' ' ASN . 9.6 tp10 -84.66 -48.55 9.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.243 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 23.4 t -51.8 -57.35 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.35 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 534' ' ' PHE . 24.4 mt -70.07 -25.26 63.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.616 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.84 -18.1 61.52 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.7 mp -117.83 -39.04 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.737 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 510' ' ' LEU . 7.7 mp -68.18 -65.28 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.946 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.582 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 56.2 tp -38.98 -60.75 1.08 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.958 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.582 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.92 -59.8 1.11 Allowed 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.419 2.079 . . . . 0.0 111.644 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.512 ' O ' HG22 ' A' ' 512' ' ' ILE . 83.7 mt -53.36 -9.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.548 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.446 ' H ' ' C ' ' A' ' 511' ' ' PRO . . . -130.48 13.78 5.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.794 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -172.49 28.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.535 ' OG ' HD12 ' A' ' 518' ' ' LEU . 87.7 p -70.49 -60.17 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.36 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 515' ' ' SER . 1.3 m -170.74 -45.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.529 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.523 ' O ' ' NH2' ' B' ' 72' ' ' ARG . 27.4 t70 -171.31 27.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.641 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.535 HD12 ' OG ' ' A' ' 515' ' ' SER . 29.5 mt -53.97 154.47 7.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.435 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -43.82 159.78 0.09 OUTLIER 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.847 2.365 . . . . 0.0 112.049 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 520' ' ' ILE . 5.5 mt -83.76 -35.5 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -45.48 -81.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.761 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . 0.575 HG23 ' N ' ' A' ' 523' ' ' ALA . 7.9 t -44.98 -47.79 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.787 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.575 ' N ' HG23 ' A' ' 522' ' ' THR . . . -55.2 -70.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.649 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 523' ' ' ALA . . . -35.52 -68.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.743 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 22.1 mmt -47.67 -54.39 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.679 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 528' ' ' LEU . . . -50.95 -68.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.576 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.0 m -40.76 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.686 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.52 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.1 tt -70.31 -51.01 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -68.3 -42.28 79.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.473 HD23 ' C ' ' A' ' 530' ' ' LEU . 1.7 tt -49.62 -61.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.568 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 533' ' ' VAL . . . -59.14 -47.88 83.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . 0.411 ' ND1' ' O ' ' A' ' 532' ' ' HIS . 37.5 t-80 -40.46 -29.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.686 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 531' ' ' ALA . 53.3 t -97.17 -46.0 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 506' ' ' LEU . 20.1 m-85 -87.23 34.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.583 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.457 HG23 ' H ' ' A' ' 535' ' ' VAL . 0.2 OUTLIER -47.74 -49.48 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.758 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 537' ' ' THR . . . -115.95 -25.69 3.52 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.526 HG21 ' HZ2' ' A' ' 501' ' ' LYS . 0.2 OUTLIER -53.38 -166.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 110.619 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.452 ' H ' HG22 ' A' ' 537' ' ' THR . 71.0 m -38.69 124.24 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.592 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.513 ' ND2' ' CE1' ' A' ' 574' ' ' TYR . 49.8 t-20 -140.95 36.58 1.76 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.633 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -99.5 -72.31 1.02 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.33 -40.54 94.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 538' ' ' CYS . 52.8 mt -50.99 -43.68 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 17.0 m -64.05 -62.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.49 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 69.0 p -45.36 -34.75 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.587 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . 0.475 ' OG ' HD11 ' A' ' 510' ' ' LEU . 0.1 OUTLIER -74.13 -58.95 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.153 179.686 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . 0.443 ' N ' ' OG ' ' A' ' 545' ' ' SER . 0.1 OUTLIER -47.42 -28.17 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.317 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.0 tpt -72.5 -47.54 47.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.459 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -48.62 -42.5 34.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.312 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 553' ' ' ARG . 0.6 OUTLIER -66.86 -43.05 84.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.558 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -52.67 -55.48 22.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.404 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 54.2 mt -50.37 -64.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 552' ' ' GLU . 0.3 OUTLIER -55.81 -38.13 69.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.397 179.758 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 549' ' ' ASN . 21.7 ttm-85 . . . . . 0 N--CA 1.466 0.333 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -173.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.788 0.327 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.432 ' O ' ' N ' ' A' ' 564' ' ' ARG . 27.1 t90 -160.88 -67.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.522 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 92.5 t -44.29 -21.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.604 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 562' ' ' TRP . 34.9 ttt85 -67.39 -75.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -50.79 -37.81 44.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.56 -70.38 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -46.63 -40.07 12.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 568' ' ' LEU . 1.4 tt -53.47 -62.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -45.27 -70.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.562 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 52.9 tp -45.77 -24.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -82.75 -77.58 1.08 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 14.4 tt -47.95 -22.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.494 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 21.0 tp -43.83 -56.66 3.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.53 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.513 ' CE1' ' ND2' ' A' ' 539' ' ' ASN . 71.9 m-85 -90.14 128.98 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.561 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 50.6 mtt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.621 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.795 0.331 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -51.04 -49.81 59.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.561 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 72.3 t -55.7 -44.41 76.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.461 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -49.72 -33.57 16.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.519 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -74.21 -37.32 63.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.498 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.85 -50.95 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.463 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 43.8 mt -59.14 -35.93 74.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.415 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -60.26 -41.64 93.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.484 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 590' ' ' ALA . 4.8 m -59.22 -57.08 14.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.439 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 61.9 mt -45.9 -34.08 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.364 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 4.1 t -77.91 -34.08 51.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.394 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -52.05 -31.41 29.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.456 ' O ' ' O ' ' A' ' 592' ' ' GLU . 7.6 pt -114.18 141.4 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.523 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' A' ' 591' ' ' ILE . 93.0 mt-10 -49.73 -103.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.656 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 66.7 m80 42.31 75.19 0.65 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.625 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.29 16.83 0.67 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.915 2.41 . . . . 0.0 111.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 28.7 mtt -85.26 -39.85 17.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.626 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 17.3 p -75.2 -3.31 32.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 28.9 t -42.62 -26.74 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.14 -58.04 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.623 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.22 -26.15 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -67.86 -46.34 72.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 64.4 t -68.11 -56.71 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.554 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 602' ' ' LEU . 29.7 mt -47.08 -72.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 85.4 t -53.95 -30.87 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.464 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.71 -39.97 98.15 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 47.1 t -69.26 -68.54 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.332 . . . . 0.0 110.6 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.31 120.0 25.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.623 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.626 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttp . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -89.73 124.92 35.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.61 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 7.1 pt -127.98 144.12 38.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.588 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.436 ' CE1' ' OG1' ' B' ' 14' ' ' THR . 79.0 m-85 -99.54 142.22 31.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.746 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.6 t -126.24 111.92 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.375 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -90.73 125.09 35.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.9 p -84.24 145.91 28.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.455 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 tp -71.57 47.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 45.6 p -147.68 -46.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.0 63.43 0.03 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -170.18 127.62 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.808 0.337 . . . . 0.0 110.582 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -100.74 157.23 16.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.52 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -142.2 132.31 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.436 ' OG1' ' CE1' ' B' ' 4' ' ' PHE . 66.4 m -99.4 129.08 45.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.414 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.9 mt -129.19 133.91 47.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -91.1 96.9 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.43 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.3 m -119.84 -165.49 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.67 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.511 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 31.5 mt-10 -149.04 148.59 27.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.251 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.77 -17.4 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.83 2.353 . . . . 0.0 112.182 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.12 17.27 18.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 1.4 m-20 -93.22 131.33 38.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.488 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.418 ' O ' ' N ' ' B' ' 25' ' ' ASN . 2.4 p -80.23 134.92 36.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.5 mm -41.3 -53.23 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.375 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -49.29 -39.05 29.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.367 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.542 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 8.0 t-20 -63.12 -43.0 99.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.33 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 26.3 t -61.71 -52.06 65.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.197 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -50.31 -40.25 48.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.268 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.99 90.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.261 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.542 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 53.2 mttp -56.31 -39.22 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.274 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.7 mt -66.47 -43.77 90.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.425 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.6 -27.98 65.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.522 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -80.6 -28.38 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.574 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -78.49 -58.67 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.562 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -91.47 -102.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.615 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.71 7.72 0.03 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.42 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 37.3 mt -82.54 125.89 75.01 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.608 0.242 . . . . 0.0 110.568 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.92 145.7 36.36 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.734 2.289 . . . . 0.0 111.971 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.509 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.0 -65.55 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.871 2.381 . . . . 0.0 111.999 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' B' ' 38' ' ' PRO . 32.8 t0 -37.21 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.746 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' B' ' 38' ' ' PRO . 76.9 mm-40 -105.44 59.93 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -156.16 159.52 39.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.415 ' NE ' ' O ' ' B' ' 72' ' ' ARG . 23.5 ttm180 -160.36 94.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 mt -79.58 120.3 23.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.662 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.406 HD12 HG21 ' B' ' 70' ' ' VAL . 5.5 mt -120.82 130.51 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.494 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -121.97 117.82 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.538 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.07 26.93 5.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.19 -14.48 65.12 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.454 ' NZ ' ' C ' ' C' ' 75' ' ' GLY . 41.3 mttm -79.87 105.14 10.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 0.0 110.61 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.421 ' OE1' ' O ' ' B' ' 50' ' ' LEU . 0.5 OUTLIER -71.67 120.67 17.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.458 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.472 ' CD2' ' CD2' ' B' ' 59' ' ' TYR . 20.8 mt -81.69 115.18 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.641 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -81.8 157.92 24.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.479 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -70.65 145.14 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.525 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 103.19 -67.38 0.33 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.443 ' HG2' ' H ' ' B' ' 54' ' ' ARG . 3.0 mmt-85 -44.22 170.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.6 p -112.47 163.96 13.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 56.7 mt -61.81 -18.06 58.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.629 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.522 ' C ' ' H ' ' B' ' 59' ' ' TYR . 11.0 t -72.06 -34.99 69.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.606 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.44 ' C ' ' CD1' ' B' ' 59' ' ' TYR . 6.6 m-20 -73.16 28.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.584 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.522 ' H ' ' C ' ' B' ' 57' ' ' SER . 81.4 m-85 -151.79 -4.52 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.525 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 65.29 23.46 12.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.0 94.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.446 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.28 -159.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.657 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -83.41 160.18 21.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.737 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 58.5 35.35 24.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.736 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.3 m -89.66 134.99 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.478 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -94.16 95.32 8.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.497 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.07 126.19 32.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.62 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -84.78 100.02 11.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.423 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.9 97.89 8.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.406 HG21 HD12 ' B' ' 44' ' ' ILE . 3.4 t -96.39 143.26 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.501 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 17.5 mt -96.98 81.08 3.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.565 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.523 ' NH2' ' O ' ' A' ' 517' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.543 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -104.48 103.17 12.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.9 pt -94.97 158.86 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -120.29 145.15 47.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.776 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 53.5 t -121.79 108.16 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.365 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -89.79 120.64 31.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.583 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 43.1 p -77.78 156.42 30.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.608 ' O ' HD23 ' C' ' 8' ' ' LEU . 0.9 OUTLIER -66.54 -38.71 87.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.515 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 43.3 p -60.32 -68.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.649 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.0 83.09 0.05 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -172.5 165.69 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.506 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 8.2 m -141.35 130.89 23.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -118.49 128.27 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.662 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 7.1 m -101.95 125.5 48.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.423 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -128.96 139.45 52.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.732 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -88.07 94.29 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.398 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -114.37 -179.57 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.801 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.502 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.2 mt-10 -127.14 174.42 4.27 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.204 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.21 -22.11 14.79 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.761 2.308 . . . . 0.0 112.029 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 2.1 p -91.32 -9.51 44.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.53 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 18.9 m-20 -61.64 137.33 58.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.574 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 71.4 p -89.94 142.08 28.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.586 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mm -43.7 -54.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.423 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -45.23 -45.68 11.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 19.4 t-20 -58.93 -45.87 89.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.36 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.61 -53.04 46.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.247 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -50.43 -36.27 32.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.16 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -64.29 -43.41 94.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.397 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -61.57 -37.64 84.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.522 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.3 mt -67.3 -41.3 86.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.439 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.68 -38.65 85.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.57 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -71.58 -23.37 61.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -80.89 -58.31 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -96.8 -86.36 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.58 20.06 0.03 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.532 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 54.4 mt -87.37 116.52 66.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.71 0.29 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -46.88 135.37 17.66 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.654 2.236 . . . . 0.0 111.818 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.7 -61.9 0.53 Allowed 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.684 2.256 . . . . 0.0 112.008 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -39.66 -34.17 0.23 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.765 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -99.75 63.94 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.714 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 74.5 mt-30 -151.9 89.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.639 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -88.5 108.83 19.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.333 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -102.63 131.64 49.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 41.8 mt -129.29 132.23 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.245 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' C' ' 47' ' ' GLY . 50.1 t80 -101.45 70.21 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.755 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' C' ' 45' ' ' PHE . . . 31.31 35.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.782 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -160.16 -55.74 0.01 OUTLIER Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 50.7 mttm -155.74 176.85 12.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.643 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -86.59 157.44 19.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.619 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 19.6 mt -100.16 116.64 32.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.515 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -81.79 148.89 28.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.544 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -66.03 147.95 52.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.579 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 97.88 -61.32 0.97 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.644 ' HE ' ' N ' ' C' ' 54' ' ' ARG . 4.7 mmp_? -45.11 171.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 0.0 110.567 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.509 ' HG1' ' HG ' ' C' ' 57' ' ' SER . 33.9 p -115.84 165.47 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 83.9 mt -69.68 -4.71 20.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.652 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . 0.509 ' HG ' ' HG1' ' C' ' 55' ' ' THR . 5.4 p -91.89 -16.52 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.54 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.49 -10.46 59.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.57 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -110.87 6.66 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.55 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 60.02 25.46 14.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.625 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.9 mt -73.11 117.37 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.442 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -95.09 -161.25 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -85.26 154.8 21.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 60.92 27.05 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.71 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -92.66 132.46 36.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -82.26 152.35 26.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.597 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mt -139.6 114.68 9.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.586 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -67.6 116.2 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.513 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 38.0 tp -106.05 128.76 54.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.617 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 t -133.03 119.52 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.441 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.577 ' O ' HD12 ' C' ' 71' ' ' LEU . 0.3 OUTLIER -92.85 166.89 12.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -100.51 83.99 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.402 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . 0.561 HD12 ' N ' ' C' ' 73' ' ' LEU . 10.1 mp 56.75 170.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.477 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -40.14 156.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.486 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . 0.454 ' C ' ' NZ ' ' B' ' 48' ' ' LYS . . . -153.63 -123.9 0.95 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 496' ' ' ALA . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 25.6 pt -58.09 -4.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 110.602 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.447 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -76.31 -54.01 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.464 ' C ' ' H ' ' A' ' 499' ' ' GLY . 42.8 m-85 -46.51 -35.4 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.526 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -51.81 -10.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -55.14 -60.68 8.38 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 31.2 t -158.86 -108.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.585 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -170.01 76.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.523 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -80.38 -175.45 5.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.625 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -103.75 2.29 32.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.554 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.28 -38.38 20.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.111 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.455 ' H ' HG23 ' A' ' 505' ' ' VAL . 2.7 t -43.11 -59.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.408 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.401 HD21 ' CE1' ' A' ' 534' ' ' PHE . 15.1 mt -73.71 -31.14 63.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.539 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -71.21 5.96 8.21 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.6 tp -136.08 -47.03 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 110.765 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.08 -53.97 17.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.901 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 514' ' ' ALA . 0.7 OUTLIER -48.26 -60.44 4.41 Favored Pre-proline 0 C--N 1.33 -0.273 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.535 -179.795 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.41 -51.74 8.36 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.56 2.173 . . . . 0.0 111.754 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.466 ' O ' HG22 ' A' ' 512' ' ' ILE . 96.7 mt -60.29 -12.8 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.483 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -141.14 30.73 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -155.06 -35.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.724 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 514' ' ' ALA . 87.3 p -30.42 -61.79 0.16 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.655 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 515' ' ' SER . 54.1 m -170.04 -52.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.543 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.435 ' O ' ' O ' ' A' ' 518' ' ' LEU . 57.9 m-20 -144.51 -84.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.473 HD11 ' OG ' ' A' ' 515' ' ' SER . 16.4 mt 59.18 148.23 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.434 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.74 123.08 4.53 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.828 2.352 . . . . 0.0 111.904 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 62.1 mt -72.39 -21.93 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.526 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -58.96 -48.73 80.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.558 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 68.4 p -79.66 -44.57 20.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.604 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -59.68 -10.95 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.553 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.39 -62.23 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 66.7 mtt -62.23 -41.63 98.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -54.85 -57.22 12.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 87.8 p -52.76 -33.92 50.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 528' ' ' LEU . 0.2 OUTLIER -55.03 -62.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.474 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -51.38 -25.36 6.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 530' ' ' LEU . 1.5 tt -64.48 -63.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -57.72 -44.11 85.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.459 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . 0.519 ' HD1' ' C ' ' A' ' 532' ' ' HIS . 6.1 t-80 -45.82 -40.95 10.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.488 ' C ' ' H ' ' A' ' 535' ' ' VAL . 90.5 t -78.64 -58.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.557 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . 0.401 ' CE1' HD21 ' A' ' 506' ' ' LEU . 29.7 m-85 -72.08 16.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.561 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 536' ' ' GLY . 10.8 p -53.16 -42.72 47.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.547 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.539 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -70.83 -69.86 1.31 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.537 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 2.2 t -64.24 -170.79 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.828 0.347 . . . . 0.0 110.559 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.537 ' N ' ' OG1' ' A' ' 537' ' ' THR . 42.8 t -166.48 157.32 12.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 41.0 m-80 -161.61 141.53 10.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.24 -42.99 93.91 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -42.66 -48.36 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.579 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 38.3 mt -59.9 -43.13 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.523 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 51.9 m -62.53 -49.94 73.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 548' ' ' ASP . 72.2 p -57.74 -43.46 85.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.435 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 24.2 p -63.95 -42.5 97.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.16 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.81 -29.84 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.301 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.4 tpt -70.92 -38.52 72.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.429 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 544' ' ' THR . 5.8 m-20 -63.2 -41.13 99.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.41 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -63.46 -36.24 83.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.581 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . 0.537 ' CE1' HD21 ' A' ' 566' ' ' LEU . 3.3 m-85 -60.07 -54.47 45.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.495 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.3 -36.93 82.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.691 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -82.29 29.37 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.569 HH12 ' CG ' ' A' ' 595' ' ' MET . 32.5 ptt180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.539 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.771 0.32 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.408 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 9.4 p-90 -172.84 -19.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.7 p -72.92 -18.46 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.534 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -60.11 -66.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.535 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -63.95 -52.3 60.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.537 HD21 ' CE1' ' A' ' 550' ' ' PHE . 4.3 tp -45.93 -56.43 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -57.96 -53.0 63.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.495 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 25.9 tp -45.32 -54.29 7.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.48 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -46.87 -62.47 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 54.3 tp -50.34 -27.9 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.503 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -76.12 -76.74 0.79 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . 0.404 ' C ' ' N ' ' A' ' 574' ' ' TYR . 8.6 tp -43.77 -33.37 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.348 . . . . 0.0 110.566 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.9 tp -44.31 -23.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.404 ' N ' ' C ' ' A' ' 572' ' ' ILE . 75.1 m-85 -125.36 125.82 44.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.2 mtt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.871 0.367 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.59 -55.08 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 89.8 t -53.93 -49.22 60.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.604 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -45.07 -38.23 4.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.587 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -70.35 -43.33 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.584 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 92.3 t -52.95 -58.91 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.497 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 585' ' ' LEU . 10.7 mp -53.42 -46.87 69.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.473 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -48.64 -28.99 3.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.435 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 14.6 m -76.66 -41.59 45.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.513 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.19 -34.43 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.548 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.1 m -77.02 -33.99 57.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' C' ' 47' ' ' GLY . . . -58.45 -61.4 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.563 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 18.8 tt -80.58 165.4 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -40.46 144.46 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.683 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.502 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 6.9 p-80 -165.73 74.65 1.31 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 -66.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 123.036 2.491 . . . . 0.0 111.94 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.569 ' CG ' HH12 ' A' ' 553' ' ' ARG . 10.6 ptp -83.25 -42.5 17.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.565 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.418 HG23 HH22 ' A' ' 553' ' ' ARG . 66.7 p -49.33 -14.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.548 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 595' ' ' MET . 94.3 p -55.61 -24.4 33.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.569 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.38 -33.75 76.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.527 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 13.4 mt -77.26 -56.34 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.413 ' O ' ' OE2' ' A' ' 600' ' ' GLU . 3.1 tm-20 -45.71 -40.25 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.632 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 597' ' ' SER . 70.4 t -70.48 -43.95 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.568 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.01 -74.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.57 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 76.0 t -52.59 -19.9 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.553 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.26 -54.87 32.83 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 68.7 m -72.41 -58.03 3.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.578 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 27.4 p -79.03 121.25 24.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.608 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.411 ' N ' ' O ' ' B' ' 17' ' ' VAL . 22.8 ttp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -93.66 117.85 30.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.698 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.499 HG12 HG22 ' B' ' 17' ' ' VAL . 6.2 pt -126.42 153.64 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.561 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -111.2 154.39 24.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 54.1 t -131.35 103.51 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.193 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -86.3 121.11 28.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.681 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.0 p -89.02 151.37 22.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.352 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.415 HD21 ' CG1' ' A' ' 512' ' ' ILE . 2.6 tp -70.78 50.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.5 p -146.33 -37.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.461 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.96 -12.75 3.62 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -87.19 137.28 32.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.601 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -123.51 124.79 43.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -96.29 173.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.687 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.504 ' C ' HD12 ' B' ' 15' ' ' LEU . 11.5 m -143.94 101.62 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.337 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.504 HD12 ' C ' ' B' ' 14' ' ' THR . 8.6 mp -105.17 137.97 42.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.855 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -94.7 83.04 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.267 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.541 HG21 HD13 ' B' ' 56' ' ' LEU . 10.9 m -99.78 -165.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.536 ' C ' ' H ' ' B' ' 20' ' ' SER . 38.6 mt-10 -145.68 145.22 24.8 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.3 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.68 -7.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.826 2.351 . . . . 0.0 112.277 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.536 ' H ' ' C ' ' B' ' 18' ' ' GLU . 1.4 p -97.74 -39.85 8.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.791 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.419 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 5.9 m-20 -41.23 146.13 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.676 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.514 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.9 p -93.73 145.41 24.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.558 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.7 mm -47.0 -53.33 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.533 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -48.24 -44.63 33.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.442 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -59.2 -40.14 84.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.355 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.14 -47.33 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.272 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -54.92 -35.84 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.347 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.14 -50.38 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.45 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -55.33 -34.61 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.492 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 14.8 mt -70.74 -49.79 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.401 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' B' ' 31' ' ' GLN . 0.7 OUTLIER -53.97 -26.51 26.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.449 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -81.26 -36.02 30.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -70.96 -58.72 3.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -85.65 -86.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.522 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.402 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 162.26 5.46 0.05 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.402 ' H ' ' H ' ' B' ' 35' ' ' GLY . 37.6 mt -79.42 133.28 60.19 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.7 0.286 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.34 143.0 34.39 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.579 2.186 . . . . 0.0 111.948 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.24 -67.4 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.844 2.363 . . . . 0.0 112.024 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -43.07 -19.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.661 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' B' ' 38' ' ' PRO . 32.0 mm-40 -109.21 57.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.643 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -155.64 163.82 39.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.487 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -159.64 93.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.98 126.83 31.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.57 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mt -130.44 131.79 65.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.508 ' O ' ' HB3' ' B' ' 46' ' ' ALA . 90.9 t80 -139.94 122.87 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.471 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 69.19 48.23 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.33 43.08 51.21 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.465 ' CB ' ' NZ ' ' B' ' 48' ' ' LYS . 4.9 ttpm? -152.69 128.25 10.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.786 0.327 . . . . 0.0 110.571 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.587 ' NE2' ' NH1' ' B' ' 72' ' ' ARG . 12.1 tt0 -77.82 143.53 37.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.7 mt -93.91 126.63 39.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.638 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -84.15 158.23 21.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.6 158.37 29.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.505 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.85 -60.18 4.2 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.436 ' H ' ' HG2' ' B' ' 54' ' ' ARG . 7.4 mmt-85 -47.06 167.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.535 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.514 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 44.7 p -106.92 173.69 6.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.51 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.541 HD13 HG21 ' B' ' 17' ' ' VAL . 61.4 mt -75.96 1.91 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.0 t -95.67 -42.92 8.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.547 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.88 -35.08 22.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.499 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -90.22 -8.27 51.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' B' ' 60' ' ' ASN . 0.8 OUTLIER 68.37 41.61 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.712 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 80.9 mt -80.65 103.2 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.372 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.407 HE21 ' C ' ' B' ' 60' ' ' ASN . 16.0 mm-40 -78.2 -163.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -86.48 160.74 18.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.796 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 60.53 37.34 19.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.816 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -94.73 134.74 36.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.436 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -91.8 86.93 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.431 ' N ' HD12 ' B' ' 67' ' ' LEU . 9.8 mp -69.5 112.13 5.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -75.96 101.13 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.493 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 tp -84.37 94.46 8.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.393 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.57 ' C ' HD12 ' B' ' 71' ' ' LEU . 1.9 t -98.21 149.89 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.57 HD12 ' C ' ' B' ' 70' ' ' VAL . 10.2 mp -111.8 72.39 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.487 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.587 ' NH1' ' NE2' ' B' ' 49' ' ' GLN . 18.8 mtm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.611 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -108.04 114.55 28.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.516 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -106.32 153.68 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.548 ' CE2' ' OG1' ' C' ' 14' ' ' THR . 55.7 m-85 -104.52 144.42 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.665 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.427 HG22 ' HB2' ' C' ' 67' ' ' LEU . 21.5 t -121.9 106.42 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.263 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -90.52 125.78 35.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.67 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 13.9 p -94.35 144.14 25.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.466 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.565 ' O ' HD23 ' C' ' 8' ' ' LEU . 0.8 OUTLIER -53.89 -32.75 54.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.469 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 27.0 p -55.81 -81.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.518 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.7 66.86 0.04 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -173.41 151.9 2.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.773 0.32 . . . . 0.0 110.51 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -121.36 153.78 37.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.476 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -135.11 131.88 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.688 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . 0.548 ' OG1' ' CE2' ' C' ' 4' ' ' PHE . 3.5 m -100.72 119.52 38.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.407 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -121.82 137.22 54.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.793 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -85.5 111.11 19.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.321 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 m -132.35 169.57 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.751 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.654 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 99.0 mt-10 -125.04 147.9 58.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.404 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.53 -20.22 0.56 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.773 2.315 . . . . 0.0 112.06 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.59 17.59 18.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.669 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.654 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 20.0 m-20 -89.0 131.96 34.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.527 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.5 p -82.96 141.09 32.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.641 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 33.0 mm -45.76 -49.22 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.385 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -52.37 -37.22 55.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.372 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -64.16 -45.3 89.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.301 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.31 -48.39 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.261 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -53.3 -40.71 64.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.292 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.82 -45.02 95.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.357 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -58.0 -41.25 82.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.373 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.2 mt -65.48 -37.31 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.447 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -63.2 -32.74 74.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.415 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -76.18 -27.78 57.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -80.03 -63.04 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -87.58 -99.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.574 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.95 28.25 0.02 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 30.4 mt -97.38 100.11 7.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.701 0.286 . . . . 0.0 110.519 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.94 140.15 7.29 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.734 2.289 . . . . 0.0 111.984 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.544 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.65 -41.39 24.24 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.783 2.322 . . . . 0.0 111.892 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.24 20.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.544 ' H ' ' C ' ' C' ' 38' ' ' PRO . 21.1 mt-30 -151.82 54.7 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.526 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -144.87 155.44 43.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.696 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -146.67 96.05 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.396 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.8 mt -91.98 124.34 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.74 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 37.5 mt -122.23 135.53 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.297 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . 0.541 ' O ' ' N ' ' C' ' 47' ' ' GLY . 71.9 t80 -149.15 -80.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.694 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' C' ' 48' ' ' LYS . . . -63.06 67.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.466 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 42.86 18.0 0.04 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' C' ' 46' ' ' ALA . 55.0 mttm -156.79 -177.26 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.903 0.382 . . . . 0.0 110.708 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -91.66 156.79 17.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.589 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.09 115.41 27.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.523 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -66.59 154.88 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.604 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.8 115.59 21.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.6 -57.36 0.69 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.406 ' H ' ' HG2' ' C' ' 54' ' ' ARG . 13.3 mmt85 -51.89 174.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.457 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 30.7 p -115.27 166.59 11.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.613 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.18 -15.53 63.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 6.8 p -79.67 -23.81 42.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.04 -37.89 72.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' C' ' 60' ' ' ASN . 74.4 m-85 -90.33 22.86 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . 0.496 ' O ' ' NE2' ' C' ' 62' ' ' GLN . 18.5 p30 42.87 30.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.653 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 60.2 mt -72.51 113.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.437 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.542 ' CD ' ' H ' ' C' ' 62' ' ' GLN . 12.4 mp0 -83.41 -161.89 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.644 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -87.56 157.34 19.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.668 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 58.46 31.0 20.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.818 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 18.2 m -84.91 139.61 31.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.517 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . 0.46 ' C ' HD12 ' C' ' 67' ' ' LEU . 9.2 m -88.85 122.54 32.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.599 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . 0.46 HD12 ' C ' ' C' ' 66' ' ' THR . 9.5 mp -107.91 117.01 33.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.512 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -76.08 98.6 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.474 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 55.0 tp -91.34 136.73 32.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.712 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -145.15 125.84 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.464 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.894 ' H ' HD23 ' C' ' 71' ' ' LEU . 1.3 pt? -110.07 164.94 12.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -59.52 -68.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 76.9 mt -141.09 -170.38 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -49.08 134.24 17.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.634 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.16 162.74 31.62 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 495' ' ' ILE . 95.8 mt -70.67 -11.49 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 0.0 110.546 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -72.85 -74.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.626 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -79.41 21.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.623 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -41.02 -69.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.49 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -107.99 93.54 0.82 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 37.3 t -152.63 -53.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 110.528 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 35.7 tttp 61.08 55.25 3.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.488 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 7.3 t-20 -85.82 -144.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.447 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . 0.488 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 6.2 p-10 -124.21 -15.37 6.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . 0.449 ' OE2' ' NZ ' ' B' ' 6' ' ' LYS . 16.2 mm-40 -85.86 -19.4 30.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.455 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.434 HG23 ' H ' ' A' ' 505' ' ' VAL . 2.7 t -58.02 -48.91 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.495 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.414 HD22 HD21 ' A' ' 530' ' ' LEU . 5.6 mt -92.14 -19.91 21.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.559 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.464 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -71.24 -12.57 72.52 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.464 HD12 ' C ' ' A' ' 507' ' ' GLY . 7.5 mp -119.32 -39.39 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.584 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 509' ' ' LEU . 97.1 mt -69.52 -61.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.624 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 45.1 tp -42.27 -60.54 2.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.74 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.624 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.87 -57.58 2.21 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.523 2.149 . . . . 0.0 111.747 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 72.7 mt -45.55 -22.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -132.77 31.52 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.505 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.531 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -150.86 -36.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.587 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.531 ' C ' ' O ' ' A' ' 514' ' ' ALA . 5.9 p -28.15 -60.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.681 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.507 ' N ' ' OG ' ' A' ' 515' ' ' SER . 43.8 m -166.92 -85.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.636 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -139.52 56.46 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.37 152.75 95.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.385 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . 0.443 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -43.77 128.2 6.71 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.932 2.421 . . . . 0.0 112.079 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 19.5 pt -73.71 15.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 519' ' ' PRO . 41.1 mt-10 -85.48 -48.06 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.568 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 4.5 t -97.64 -20.01 17.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.583 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.22 85.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -53.31 -65.76 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 61.1 mtt -52.5 -49.31 65.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.538 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -46.68 -65.4 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.9 t -44.66 -41.65 6.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.658 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.3 tt -56.27 -62.5 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.07 -36.29 12.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 530' ' ' LEU . 2.0 tt -59.19 -61.34 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -59.74 -38.39 81.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -45.32 -49.89 12.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.544 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.443 ' C ' ' H ' ' A' ' 535' ' ' VAL . 91.4 t -76.58 -58.44 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -77.44 31.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.443 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.4 p -63.37 -27.66 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.566 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -74.09 -83.88 0.32 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 8.0 t -72.5 -168.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.437 ' N ' ' OG1' ' A' ' 537' ' ' THR . 8.3 p -174.74 -172.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.569 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.516 ' ND2' ' OD2' ' A' ' 541' ' ' ASP . 47.9 t30 -162.49 167.86 22.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.56 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.25 -48.99 9.94 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . 0.516 ' OD2' ' ND2' ' A' ' 539' ' ' ASN . 5.9 m-20 -45.1 -48.29 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.552 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 88.0 mt -54.26 -38.06 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.6 m -75.88 -56.7 4.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.415 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 77.9 p -43.33 -55.16 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.65 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . 0.41 ' OG ' ' CD1' ' C' ' 73' ' ' LEU . 12.8 m -58.54 -46.41 86.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -32.68 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.472 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 74.5 mmm -72.59 -36.17 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.45 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 544' ' ' THR . 14.2 m-20 -57.66 -39.83 77.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.307 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -69.19 -44.67 71.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.399 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -44.34 -61.41 1.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.36 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 551' ' ' LEU . 10.8 mp -52.91 -54.29 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.31 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.591 ' O ' ' O ' ' A' ' 553' ' ' ARG . 77.1 mt-10 -71.63 43.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.337 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.591 ' O ' ' O ' ' A' ' 552' ' ' GLU . 17.5 ttm180 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.904 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 3.2 p30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.862 0.363 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -160.44 -51.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.591 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.3 p -48.38 -19.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.629 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -77.37 -38.82 49.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.545 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -66.57 -51.6 54.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.598 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.0 mp -55.13 -62.93 1.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.505 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -44.17 -48.59 9.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.634 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 13.8 tp -52.8 -71.38 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -45.7 -76.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.552 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 570' ' ' LEU . 53.7 tp -45.01 -21.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.528 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -76.31 -77.17 0.77 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 8.5 mm -67.47 -2.04 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 110.539 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 17.9 tp -41.29 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.555 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -65.26 -171.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.519 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.1 ttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 582' ' ' ASP . 44.2 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.767 0.318 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.697 ' H ' ' NE2' ' A' ' 580' ' ' GLN . 2.7 mp0 -41.21 -51.16 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.519 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 68.8 t -53.43 -37.36 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 579' ' ' GLU . 10.5 t70 -56.91 -46.2 82.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.2 -51.61 67.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.664 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 54.6 t -44.47 -62.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 8.4 mp -47.14 -56.96 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.61 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -40.15 -54.76 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.632 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.49 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 16.1 m -50.85 -61.74 2.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.8 mt -42.61 -47.17 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.549 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 4.4 t -68.16 -35.17 77.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.543 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 587' ' ' THR . . . -46.97 -39.26 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.499 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.424 ' O ' ' O ' ' A' ' 592' ' ' GLU . 4.5 mt -92.92 143.26 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.541 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 591' ' ' ILE . 24.4 mt-10 -60.02 -144.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.602 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.401 ' C ' ' H ' ' A' ' 595' ' ' MET . 15.4 m-70 62.81 79.06 0.27 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.536 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.02 29.66 0.36 Allowed 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.9 2.4 . . . . 0.0 111.95 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.401 ' H ' ' C ' ' A' ' 593' ' ' HIS . 15.8 mmt -86.15 -49.09 8.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.488 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 1.8 t -69.78 -3.81 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 15.5 p -43.1 -26.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.605 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -63.05 -50.06 72.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.595 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.57 -27.65 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.644 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -62.48 -51.75 66.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 82.0 t -61.79 -38.23 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.586 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 34.6 tp -54.08 -74.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.485 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 606' ' ' CYS . 59.8 t -54.18 -38.19 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.531 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -54.7 -51.4 52.83 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 21.1 m -54.83 -49.11 71.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.309 . . . . 0.0 110.528 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 607' ' ' ALA . 29.1 t -80.55 119.14 22.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.502 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 606' ' ' CYS . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -96.67 102.5 14.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.525 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.405 HG12 HG22 ' B' ' 17' ' ' VAL . 14.3 pt -96.7 151.07 4.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.582 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -105.35 151.78 23.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.537 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 t -130.19 103.12 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.354 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.449 ' NZ ' ' OE2' ' A' ' 504' ' ' GLU . 29.0 ttpt -86.14 126.02 33.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.591 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p -90.44 163.97 14.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.514 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tp -78.98 51.14 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 41.6 p -151.01 -40.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.26 -11.22 2.77 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -82.61 138.24 34.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.797 0.332 . . . . 0.0 110.617 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.4 m -123.13 125.89 46.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.559 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -107.55 149.99 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.638 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -119.24 132.1 55.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.398 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.6 mt -132.14 133.73 44.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -85.43 79.78 9.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.409 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.405 HG22 HG12 ' B' ' 3' ' ' ILE . 4.1 m -97.99 -177.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.541 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 3.1 mt-10 -128.75 175.48 3.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.3 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.72 -24.16 13.73 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.771 2.314 . . . . 0.0 112.034 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -92.45 5.27 51.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.414 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.541 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 15.2 m-20 -75.68 135.42 40.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.581 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 4.0 p -87.09 143.75 27.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.686 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.2 mm -46.97 -53.63 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.368 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -48.29 -37.95 17.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.333 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.635 HD21 ' NZ ' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -63.46 -47.96 79.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.174 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.1 t -56.82 -52.45 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.16 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -51.91 -32.44 32.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.148 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -66.85 -44.28 81.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.273 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.635 ' NZ ' HD21 ' B' ' 25' ' ' ASN . 48.2 mttp -62.97 -32.69 74.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.362 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 11.6 mt -72.37 -37.57 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.493 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -65.0 -39.24 93.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.46 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -71.12 -29.32 65.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -76.15 -59.86 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.624 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -90.93 -96.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.595 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 170.6 18.68 0.02 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.48 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 57.5 mt -93.64 102.92 8.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.624 0.25 . . . . 0.0 110.482 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.42 142.54 6.47 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.634 2.223 . . . . 0.0 111.867 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' B' ' 39' ' ' ASP . 2.7 Cg_endo -46.16 -66.4 0.15 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.792 2.328 . . . . 0.0 112.01 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' B' ' 38' ' ' PRO . 17.0 m-20 -38.47 -32.8 0.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -96.66 59.78 1.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.621 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 60.0 mt-30 -155.8 163.26 40.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.558 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.463 ' CZ ' ' OE1' ' B' ' 49' ' ' GLN . 7.7 tpt180 -154.41 91.47 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.587 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.87 122.36 28.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.503 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.2 mt -128.44 135.27 62.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.484 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -143.36 133.76 24.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.77 30.74 18.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.532 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.06 37.45 87.41 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -144.92 129.83 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.522 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.463 ' OE1' ' CZ ' ' B' ' 42' ' ' ARG . 38.9 mt-30 -77.91 130.4 36.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 mt -83.92 100.13 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.565 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -62.31 154.17 28.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.607 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -73.21 128.01 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 119.6 -63.27 0.46 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' B' ' 53' ' ' GLY . 13.1 mmt85 -43.58 168.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.478 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 15.8 p -113.38 159.58 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.4 mt -63.25 -4.08 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.491 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.5 t -90.95 -19.63 23.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.55 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.83 -36.47 50.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.572 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -88.35 6.6 36.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.538 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.423 ' N ' ' ND2' ' B' ' 60' ' ' ASN . 3.0 m120 60.61 18.39 8.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.21 111.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -86.45 -161.4 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.665 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -86.4 160.21 19.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.759 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 58.66 24.84 12.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.821 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -79.95 133.81 36.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.397 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -87.03 99.89 12.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.681 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.468 ' N ' HD12 ' B' ' 67' ' ' LEU . 10.8 mp -83.06 114.27 21.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.451 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -76.97 108.29 9.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.741 ' C ' HD23 ' B' ' 69' ' ' LEU . 5.9 tt -92.48 115.78 28.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.381 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.588 ' N ' HD23 ' B' ' 69' ' ' LEU . 1.0 OUTLIER -119.74 160.89 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' B' ' 72' ' ' ARG . 82.3 mt -97.03 163.23 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 10.7 ttt-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ptt? . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -96.36 111.39 23.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -103.76 148.75 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -103.91 131.44 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.597 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 54.4 t -112.25 112.96 42.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -91.58 129.3 37.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . 0.44 ' C ' ' H ' ' C' ' 9' ' ' THR . 45.9 p -94.65 145.27 24.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.613 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.73 43.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . 0.44 ' H ' ' C ' ' C' ' 7' ' ' THR . 31.9 p -143.51 -20.74 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.599 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.66 58.45 0.49 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -163.37 124.22 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -102.15 157.31 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.607 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -143.2 133.29 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.655 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -98.72 128.17 44.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.398 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -131.17 129.07 41.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.708 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -80.32 98.56 7.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.372 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 m -122.71 165.25 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.732 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.616 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 28.5 mt-10 -123.07 147.92 52.98 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.353 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.5 -17.99 0.27 Allowed 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.805 2.337 . . . . 0.0 112.024 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.404 ' N ' ' O ' ' C' ' 18' ' ' GLU . 0.9 OUTLIER -100.66 19.06 17.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.616 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 9.5 m-20 -91.72 132.54 36.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.496 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . 0.416 ' O ' ' N ' ' C' ' 25' ' ' ASN . 3.0 p -83.2 138.35 33.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.579 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -40.96 -56.04 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.563 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -47.83 -37.83 14.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.385 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.613 ' ND2' ' NZ ' ' C' ' 29' ' ' LYS . 0.2 OUTLIER -64.07 -42.23 97.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.183 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -62.19 -50.93 78.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.152 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . 0.421 ' HZ3' ' CB ' ' C' ' 41' ' ' GLN . 60.5 mttm -51.17 -41.23 60.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.252 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.43 98.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.343 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . 0.613 ' NZ ' ' ND2' ' C' ' 25' ' ' ASN . 58.5 mttp -58.85 -40.78 85.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.444 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 5.6 mt -65.64 -38.46 82.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.299 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -60.98 -37.14 81.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.22 -27.29 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -77.16 -59.29 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.491 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -95.56 -99.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.613 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . 0.4 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . -177.72 10.95 0.03 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 61.4 mt -81.23 125.89 78.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.591 0.234 . . . . 0.0 110.552 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.53 141.99 32.18 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.7 2.267 . . . . 0.0 111.905 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.48 -60.19 0.95 Allowed 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.881 2.387 . . . . 0.0 112.065 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -44.26 -14.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.786 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.537 ' N ' ' O ' ' C' ' 38' ' ' PRO . 11.4 mm100 -119.93 62.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.694 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.421 ' CB ' ' HZ3' ' C' ' 27' ' ' LYS . 19.6 mt-30 -156.87 143.08 18.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.728 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -136.07 102.23 4.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.235 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 mt -95.91 135.56 37.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.775 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.413 HG23 ' O ' ' C' ' 48' ' ' LYS . 13.7 mt -133.56 139.09 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.439 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . 0.573 ' O ' ' N ' ' C' ' 47' ' ' GLY . 79.0 t80 -137.75 161.84 35.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . 0.438 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . 48.44 -84.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.575 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -159.4 31.47 0.43 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . 0.413 ' O ' HG23 ' C' ' 44' ' ' ILE . 62.6 mttm -152.6 162.47 41.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 110.62 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -92.23 146.19 23.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.494 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.52 131.18 34.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.631 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -91.04 150.11 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.678 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.81 100.69 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.59 -61.38 0.45 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.421 ' H ' ' HG2' ' C' ' 54' ' ' ARG . 23.9 mmt180 -49.66 171.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.441 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 12.0 p -110.21 167.11 10.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.4 -22.4 66.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.639 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 7.1 p -74.62 -12.64 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.582 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -87.16 -2.92 58.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -123.85 12.04 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.587 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 55.31 27.76 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.605 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -76.74 99.8 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.523 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -76.59 -170.68 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.609 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . 0.45 ' NZ ' ' CB ' ' C' ' 63' ' ' LYS . 0.3 OUTLIER -77.54 159.26 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.725 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 56.21 29.46 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.756 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 58.0 m -85.68 137.78 32.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 28.6 m -93.5 109.54 21.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.595 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mp -93.68 165.72 12.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -113.66 103.28 11.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 42.8 tp -96.44 130.75 43.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.448 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.91 134.02 60.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.514 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 mt -82.13 161.56 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.565 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . 0.414 ' HD3' HE22 ' C' ' 40' ' ' GLN . 72.1 ttt180 -73.92 -51.16 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' C' ' 74' ' ' ARG . 16.8 tp -174.51 105.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.506 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' C' ' 73' ' ' LEU . 38.2 ttm-85 54.98 109.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.59 144.36 45.98 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.742 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 495' ' ' ILE . 72.5 mt -91.09 -6.44 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.66 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.415 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -72.45 -64.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.565 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 498' ' ' ALA . 47.5 p90 -78.31 24.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -38.65 -68.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.45 97.6 1.12 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 36.2 p -171.35 -48.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 110.599 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 51.8 mttp 55.81 77.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.659 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.445 ' C ' ' H ' ' A' ' 504' ' ' GLU . 4.6 m-20 -110.99 143.61 41.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.502 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.28 -1.13 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.512 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 502' ' ' ASN . 31.3 tt0 -86.32 -47.35 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.431 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 24.6 t -44.09 -58.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.446 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 508' ' ' LEU . 22.0 mt -66.17 -48.11 71.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.54 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' B' ' 68' ' ' HIS . . . -43.27 -16.26 0.03 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 506' ' ' LEU . 36.1 tp -118.45 -42.83 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.97 -44.92 87.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.75 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.543 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 6.9 mt -50.08 -65.9 0.76 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.633 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.7 -55.44 3.57 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.66 2.24 . . . . 0.0 111.836 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 61.3 mt -45.98 -26.17 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.515 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -135.82 31.57 3.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.528 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -151.9 -35.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.771 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 514' ' ' ALA . 10.3 t -27.36 -75.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.693 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 515' ' ' SER . 1.2 m -169.4 -46.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -132.16 -97.57 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.622 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 12.8 mt 61.05 146.79 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.467 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.96 117.48 1.57 Allowed 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.832 2.355 . . . . 0.0 112.016 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 18.5 pt -66.98 -20.12 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.543 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -70.69 -66.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 66.8 p -57.93 -37.83 74.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.79 89.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.584 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -49.01 -37.71 21.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.522 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 15.5 ttt -70.81 -37.37 73.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.565 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.81 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.562 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 24.5 p -55.81 -41.21 73.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.468 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.5 tt -50.42 -66.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -50.36 -37.27 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.479 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.3 tt -55.28 -59.51 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.488 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -64.9 -36.82 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -46.28 -43.75 15.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.546 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.416 ' C ' ' H ' ' A' ' 535' ' ' VAL . 88.8 t -85.26 -46.82 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -75.25 14.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 531' ' ' ALA . 7.1 p -53.72 -21.42 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.73 -102.56 0.31 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 4.4 t -62.86 -169.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.579 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.522 ' O ' ' ND2' ' A' ' 539' ' ' ASN . 20.2 p -162.96 177.5 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 39.7 m-80 -161.37 167.36 25.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 543' ' ' THR . . . -81.15 -49.57 5.51 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -43.0 -35.99 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.484 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.07 -36.64 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.578 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 540' ' ' GLY . 90.2 m -81.47 -57.81 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 543' ' ' THR . 82.1 p -39.56 -41.41 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 2.4 p -73.32 -57.56 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.333 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -30.38 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.462 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . 0.528 ' SD ' ' CD1' ' C' ' 8' ' ' LEU . 22.3 ttm -72.26 -45.22 61.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.553 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -48.95 -42.29 36.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.382 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -67.81 -46.05 72.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -46.6 -43.21 17.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 48.1 mt -64.88 -64.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.42 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' A' ' 553' ' ' ARG . 8.7 mm-40 -83.34 33.88 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.355 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.508 ' O ' ' O ' ' A' ' 552' ' ' GLU . 30.1 ptt180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.959 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.832 0.348 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.539 ' CE3' ' N ' ' A' ' 563' ' ' VAL . 40.3 p-90 -173.24 -55.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.539 ' N ' ' CE3' ' A' ' 562' ' ' TRP . 11.5 p -42.13 -39.84 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.569 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . 0.49 ' N ' HG13 ' A' ' 563' ' ' VAL . 13.6 mmm180 -51.73 -61.76 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 568' ' ' LEU . 95.9 m-85 -49.18 -59.79 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.636 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 566' ' ' LEU . 11.0 mp -43.36 -55.58 4.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.493 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -56.58 -24.97 51.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . 0.486 HD23 ' C ' ' A' ' 568' ' ' LEU . 1.7 tt -62.94 -67.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.631 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -60.46 -70.85 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 58.4 tp -41.66 -25.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -77.69 -78.19 0.79 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 14.0 mm -58.24 -9.77 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.596 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 17.6 tp -48.6 -71.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -81.5 -171.81 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 18.4 ttt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.611 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 584' ' ' VAL . 67.5 mt-30 -66.84 -56.8 8.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.464 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 34.9 t -54.06 -27.42 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.436 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.86 -53.66 43.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.451 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.26 -29.01 70.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 580' ' ' GLN . 78.5 t -64.16 -58.77 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.482 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 19.9 mt -50.03 -39.06 40.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.436 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -58.32 -34.76 70.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.473 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 590' ' ' ALA . 9.3 m -65.24 -56.07 14.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.437 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 8.3 mm -45.03 -39.04 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.37 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 7.6 t -72.41 -33.58 67.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -53.01 -32.14 44.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.476 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.444 ' O ' ' O ' ' A' ' 592' ' ' GLU . 11.5 pt -108.9 161.31 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 591' ' ' ILE . 23.4 mt-10 -59.93 -138.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.578 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 12.4 m80 64.68 74.65 0.4 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.556 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 -23.44 12.92 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.983 2.455 . . . . 0.0 111.941 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 56.6 mtm -63.45 -19.77 65.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 596' ' ' THR . 86.1 m -77.07 -12.76 59.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.662 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 25.6 t -44.79 -37.22 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -46.09 -58.16 3.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.87 -47.3 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -47.43 -51.12 21.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.541 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.81 -52.04 64.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.602 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.8 tp -45.55 -68.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.503 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 41.9 t -56.16 -30.06 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.66 -38.41 94.55 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 31.2 t -65.7 -64.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.742 0.306 . . . . 0.0 110.595 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 48.6 t -88.49 119.78 29.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.529 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -119.78 116.52 26.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.612 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.2 pt -110.61 154.39 12.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -108.94 155.4 20.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.643 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.3 t -133.06 106.65 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.235 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -77.76 128.77 34.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.577 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.52 ' C ' ' H ' ' B' ' 9' ' ' THR . 59.9 p -91.47 172.81 8.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.498 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.43 ' HA ' HD22 ' B' ' 8' ' ' LEU . 0.5 OUTLIER -69.33 12.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.558 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.539 ' O ' ' N ' ' B' ' 11' ' ' LYS . 49.0 p -145.97 173.85 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.409 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.54 68.92 0.02 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' B' ' 9' ' ' THR . 42.4 tttp -159.71 130.76 5.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.613 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.6 m -127.08 130.24 49.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.457 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 mt -102.5 136.04 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.688 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -112.68 125.18 54.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.321 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -127.34 148.48 50.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -91.03 106.64 18.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.204 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 m -127.65 165.16 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.631 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 48.3 mt-10 -124.76 149.9 63.96 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.319 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.65 -19.21 0.43 Allowed 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.86 2.373 . . . . 0.0 112.105 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.33 15.04 25.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.765 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.631 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 8.7 m-20 -87.47 135.06 33.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.482 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.421 ' O ' ' N ' ' B' ' 25' ' ' ASN . 3.2 p -85.87 137.99 32.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.657 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 31.8 mm -43.9 -48.32 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.316 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -53.84 -34.38 59.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.324 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.722 HD21 ' NZ ' ' B' ' 29' ' ' LYS . 0.1 OUTLIER -67.11 -43.09 83.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.265 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.95 -49.13 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.267 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -54.55 -40.59 68.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.381 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.406 ' O ' ' OD1' ' B' ' 32' ' ' ASP . . . -60.4 -48.32 82.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.341 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.722 ' NZ ' HD21 ' B' ' 25' ' ' ASN . 54.8 mttp -56.3 -40.06 73.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.363 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 12.1 mt -63.36 -44.78 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -57.18 -36.48 70.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.408 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 1.0 OUTLIER -72.38 -21.97 61.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.508 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -83.54 -58.25 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -97.06 -104.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.79 26.28 0.05 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.455 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 40.5 mt -99.06 97.62 5.39 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.613 0.244 . . . . 0.0 110.479 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -44.75 143.28 4.33 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.646 2.231 . . . . 0.0 112.003 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -45.92 -66.75 0.14 Allowed 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.843 2.362 . . . . 0.0 112.127 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' B' ' 38' ' ' PRO . 45.7 m-20 -37.49 -27.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' B' ' 38' ' ' PRO . 63.4 mm-40 -104.27 56.95 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.617 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -155.01 171.83 19.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.697 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.552 ' HE ' ' CG ' ' B' ' 49' ' ' GLN . 5.7 tpt180 -172.65 99.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.421 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -86.31 121.1 28.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.72 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.402 HD13 HG21 ' B' ' 44' ' ' ILE . 22.6 mt -117.73 148.27 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.538 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' B' ' 48' ' ' LYS . 77.4 t80 -151.25 123.67 8.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.558 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.96 39.28 10.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.94 -12.48 23.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' B' ' 45' ' ' PHE . 38.5 mmtm -84.82 105.91 15.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.741 0.305 . . . . 0.0 110.604 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.552 ' CG ' ' HE ' ' B' ' 42' ' ' ARG . 16.8 tt0 -79.85 127.4 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.437 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 mt -81.82 125.91 31.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.629 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -99.53 153.18 19.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.578 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.16 142.22 58.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.626 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 102.72 -69.81 0.32 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' B' ' 53' ' ' GLY . 8.9 mmt85 -42.38 169.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.641 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 44.2 p -115.86 166.46 11.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.562 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 mt -65.18 -20.42 66.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.619 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.6 p -73.29 -33.8 65.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.551 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -62.04 -36.14 80.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.594 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -88.74 8.39 29.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 54.99 24.77 6.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.731 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.2 mt -65.24 126.31 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.321 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -91.89 -172.15 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -87.88 160.71 17.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.711 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.05 31.84 21.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m -83.35 167.62 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.338 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.9 m -121.2 85.51 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.56 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.71 169.74 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.457 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 507' ' ' GLY . 32.5 m80 -126.2 107.26 10.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.446 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 15.7 tp -81.21 107.32 13.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.413 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.433 ' C ' HD12 ' B' ' 71' ' ' LEU . 1.6 t -119.08 146.73 23.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.512 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.9 mp -100.57 73.21 1.61 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.636 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.403 ' N ' ' O ' ' C' ' 17' ' ' VAL . 17.2 ttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.06 101.34 5.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -109.11 152.12 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -107.67 145.97 32.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.629 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 38.4 t -132.05 102.88 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.372 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -78.36 160.87 27.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.66 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . 0.53 ' C ' ' H ' ' C' ' 9' ' ' THR . 65.2 p -131.27 142.11 50.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.457 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.528 ' CD1' ' SD ' ' A' ' 547' ' ' MET . 0.9 OUTLIER -71.21 36.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.518 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . 0.53 ' H ' ' C ' ' C' ' 7' ' ' THR . 69.2 p -135.57 -14.86 1.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.3 69.23 0.77 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -174.46 141.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.588 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -123.86 123.01 39.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mt -106.02 133.69 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.759 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -105.78 127.36 53.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.453 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 25.0 mt -127.96 132.1 49.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.747 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -86.98 79.23 8.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.483 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.437 HG21 ' CD1' ' C' ' 56' ' ' LEU . 17.5 m -97.93 -164.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.716 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.442 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.2 mt-10 -139.15 176.94 2.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.252 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -75.21 -26.8 10.25 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.795 2.33 . . . . 0.0 112.079 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.95 9.69 26.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.584 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -81.47 135.14 35.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.516 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 4.7 p -86.74 139.39 30.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.769 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 29.4 mm -43.33 -53.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.343 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -47.03 -40.88 15.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.324 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -62.31 -40.69 97.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.183 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.35 -49.26 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.216 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -53.2 -39.48 63.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.293 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.57 98.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.267 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -61.66 -33.58 74.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.287 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -72.68 -38.23 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.295 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -64.03 -32.53 74.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.65 -38.59 58.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.469 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -69.38 -62.32 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.522 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -86.17 -86.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.29 14.2 0.06 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.484 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 63.3 mt -84.83 120.7 74.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.663 0.268 . . . . 0.0 110.5 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -46.3 136.96 14.7 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.613 2.209 . . . . 0.0 111.877 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.46 -63.27 0.34 Allowed 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.734 2.289 . . . . 0.0 112.012 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -44.24 -32.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.778 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -92.58 54.98 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.718 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 60.4 mt-30 -155.86 93.41 1.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.563 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -87.82 109.44 19.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.439 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 74.3 mt -94.01 131.07 39.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.712 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 6.2 mt -128.94 142.26 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . 0.597 ' O ' ' N ' ' C' ' 47' ' ' GLY . 54.3 t80 -135.16 -177.87 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . 0.577 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -57.62 72.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.521 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 167.48 -64.25 0.2 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . 0.437 ' CG ' ' H ' ' C' ' 49' ' ' GLN . 6.5 ttmm -174.66 -146.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.616 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.437 ' H ' ' CG ' ' C' ' 48' ' ' LYS . 39.8 mt-30 -89.54 145.01 25.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.428 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -93.57 120.61 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -83.91 158.81 21.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.582 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.47 166.89 17.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 85.3 -65.16 4.06 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' C' ' 53' ' ' GLY . 1.1 mmt-85 -42.34 168.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 110.621 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 43.4 p -118.33 164.19 15.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.581 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.437 ' CD1' HG21 ' C' ' 17' ' ' VAL . 79.3 mt -66.44 -13.44 60.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.587 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 3.1 t -83.64 -23.75 31.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.33 -39.48 74.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -84.24 4.28 31.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 63.41 24.89 14.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 81.0 mt -71.13 104.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -82.74 -157.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.645 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -85.46 159.59 19.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.622 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 55.64 36.19 26.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.654 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 32.0 m -96.14 138.36 33.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -90.04 125.33 35.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -119.03 112.54 19.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -66.62 147.03 53.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.334 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . 0.742 ' C ' HD23 ' C' ' 69' ' ' LEU . 6.2 tt -141.9 120.0 12.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.391 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.628 ' N ' HD23 ' C' ' 69' ' ' LEU . 10.5 t -114.44 144.88 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.648 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' C' ' 73' ' ' LEU . 7.4 mt -93.35 113.64 25.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.576 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -59.53 80.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.486 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' C' ' 71' ' ' LEU . 0.5 OUTLIER 72.11 89.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.425 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' C' ' 73' ' ' LEU . 12.8 ptm180 35.57 -154.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.723 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.91 -179.43 42.12 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 495' ' ' ILE . 69.4 mt -64.96 -12.62 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 0.0 110.665 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -68.16 -51.86 41.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.619 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.539 ' C ' ' H ' ' A' ' 499' ' ' GLY . 16.4 m-85 -51.01 -39.84 56.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.627 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -56.04 -2.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.659 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -57.31 -71.4 0.75 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 27.7 t -163.37 37.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt 45.34 87.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -94.13 -174.73 3.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.529 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -99.87 -6.23 27.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.582 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -78.23 -18.09 55.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.026 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 497' ' ' PHE . 2.4 t -60.85 -75.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.43 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.9 mp -65.02 -21.71 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.561 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.502 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -58.44 -34.27 74.56 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.502 HD12 ' C ' ' A' ' 507' ' ' GLY . 9.2 mp -114.94 -34.58 5.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.73 0.3 . . . . 0.0 111.054 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 505' ' ' VAL . 4.0 mm? -65.4 -61.03 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.201 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.58 HD23 ' HE ' ' C' ' 74' ' ' ARG . 17.0 tp -43.39 -62.24 1.48 Allowed Pre-proline 0 C--N 1.33 -0.275 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.862 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.613 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.6 Cg_endo -46.37 -64.86 0.22 Allowed 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.459 2.106 . . . . 0.0 111.724 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.53 ' O ' HG22 ' A' ' 512' ' ' ILE . 79.6 mt -55.05 -5.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.545 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 511' ' ' PRO . . . -107.42 -21.81 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.757 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -167.73 37.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.1 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.613 ' N ' ' O ' ' A' ' 511' ' ' PRO . 21.2 t -49.34 -25.75 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.101 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.572 ' OG1' ' O ' ' A' ' 515' ' ' SER . 1.6 m 168.17 -47.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.278 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 517' ' ' ASP . 36.3 t0 -173.01 26.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.637 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' A' ' 519' ' ' PRO . 29.9 mt -52.18 155.5 3.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.398 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . 0.48 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.9 Cg_endo -43.86 178.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.934 2.423 . . . . 0.0 112.132 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' A' ' 521' ' ' GLU . 20.0 mt -105.62 -15.35 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 520' ' ' ILE . 91.5 mt-10 -45.97 -98.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.705 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 524' ' ' ALA . 19.8 p -62.09 -43.18 99.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.742 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 522' ' ' THR . . . -38.91 -31.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.613 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 522' ' ' THR . . . -77.35 -51.64 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.574 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 68.5 mtt -59.69 -55.54 33.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -49.57 -50.19 43.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.616 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 73.8 m -46.28 -48.31 18.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 528' ' ' LEU . 0.2 OUTLIER -53.08 -58.01 8.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.483 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.76 -41.59 15.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.667 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 530' ' ' LEU . 1.6 tt -56.21 -62.74 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -51.12 -45.38 61.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -44.49 -44.52 8.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.567 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 78.2 t -72.9 -58.84 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -81.99 32.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 536' ' ' GLY . 13.8 p -64.43 -36.13 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.532 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.416 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -84.91 -64.65 1.53 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 537' ' ' THR . 0.0 OUTLIER -76.28 122.85 25.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 10.2 t -99.62 176.92 5.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.409 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 25.0 m120 -160.68 172.76 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.536 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 544' ' ' THR . . . -91.17 -52.76 2.31 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -45.92 -60.62 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.639 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 71.5 mt -43.03 -51.2 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.616 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 45.3 m -60.73 -62.03 2.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.582 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 540' ' ' GLY . 81.9 p -41.9 -41.44 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.541 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 13.9 m -71.75 -63.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.263 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -44.7 -29.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.182 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.5 tpt -68.03 -51.57 45.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.285 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.474 ' CG ' ' O ' ' C' ' 72' ' ' ARG . 31.9 m-20 -47.03 -44.08 20.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.216 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.546 ' C ' HD22 ' A' ' 549' ' ' ASN . 0.2 OUTLIER -64.42 -37.88 89.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.281 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -57.28 -63.32 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.459 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 553' ' ' ARG . 10.7 mp -43.62 -61.57 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.298 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' A' ' 553' ' ' ARG . 47.9 mm-40 -72.66 37.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.248 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.509 ' H ' ' C ' ' A' ' 551' ' ' LEU . 23.7 ttt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.869 0.366 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.409 ' H ' ' H ' ' A' ' 563' ' ' VAL . 13.5 p-90 -168.76 -11.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.582 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.409 ' H ' ' H ' ' A' ' 562' ' ' TRP . 29.8 t -46.02 -28.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.536 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -62.45 -62.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -52.52 -43.68 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 569' ' ' ALA . 36.6 tp -55.46 -39.9 70.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -65.8 -52.88 47.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.531 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 46.9 mt -53.67 -17.38 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.598 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -80.28 -74.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 78.4 mt -63.93 1.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -97.26 -77.09 1.33 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 75.1 mt -55.3 -25.87 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.752 0.31 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.0 tp -55.91 -75.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -59.8 121.15 11.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.515 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 14.1 ttt . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.533 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.789 0.328 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -66.83 -68.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.492 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 6.1 p -47.44 -27.25 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.412 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.49 -51.87 65.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.403 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.56 -42.33 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.297 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 39.0 t -63.62 -46.06 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.28 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.5 -39.23 86.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.317 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -55.71 -37.29 68.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.277 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 590' ' ' ALA . 6.9 m -64.55 -57.45 9.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.25 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.7 mt -45.69 -35.14 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.227 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 5.1 m -76.89 -34.79 57.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.233 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -50.55 -30.09 12.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.327 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 10.9 pt -106.86 -168.18 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.435 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -75.66 136.51 40.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.614 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 9.5 p80 -144.39 44.22 0.46 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.626 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.78 -73.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.021 2.481 . . . . 0.0 112.118 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 597' ' ' SER . 6.0 ttm -77.8 -52.14 9.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.688 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 75.7 p -42.83 -18.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.632 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 595' ' ' MET . 22.4 p -45.04 -25.75 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.52 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.06 -77.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 11.4 tt -47.09 -25.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -62.23 -40.73 97.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 84.3 t -76.51 -18.91 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 12.4 tp -73.74 -63.04 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.484 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.63 -43.51 79.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -55.18 -37.86 65.55 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 42.3 t -77.04 -64.86 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.339 . . . . 0.0 110.524 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.26 122.24 23.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.572 -179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.0 ttp . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -84.94 122.06 28.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.4 pt -123.79 148.5 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.432 ' CE1' HG23 ' B' ' 14' ' ' THR . 71.6 m-85 -102.99 144.62 31.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.621 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.1 t -124.09 108.13 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.357 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -86.86 114.68 23.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.605 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 26.2 p -67.61 -139.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.446 HD22 HG13 ' B' ' 70' ' ' VAL . 2.1 tp -145.62 32.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.529 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 34.1 p -149.38 14.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.462 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.18 72.25 1.25 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -170.83 134.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.64 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.7 m -125.86 108.83 11.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.478 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.6 148.05 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.617 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.484 ' C ' HD12 ' B' ' 15' ' ' LEU . 16.0 m -115.93 105.63 12.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.328 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.531 ' N ' HD12 ' B' ' 15' ' ' LEU . 10.7 mp -104.88 168.38 9.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -124.39 122.37 37.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.083 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.565 HG21 ' CD1' ' B' ' 56' ' ' LEU . 12.1 m -146.56 -163.66 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.916 0.389 . . . . 0.0 110.938 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.558 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 8.2 mt-10 -145.94 145.92 26.72 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.354 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.06 -11.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.913 2.408 . . . . 0.0 112.358 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.471 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -98.5 8.3 45.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.877 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 1.0 OUTLIER -92.5 144.01 25.78 Favored 'General case' 0 N--CA 1.494 1.766 1 N-CA-C 98.828 -4.508 . . . . 0.0 98.828 -164.909 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 25' ' ' ASN . 4.9 p -88.93 132.89 34.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.542 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' B' ' 22' ' ' THR . 25.8 mm -36.65 -57.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -45.63 -44.17 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.406 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.523 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 1.7 t30 -59.03 -48.13 82.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.272 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 19.0 t -54.72 -54.38 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.12 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -48.95 -35.25 14.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.09 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -63.8 -47.24 81.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.152 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -58.36 -32.89 68.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.115 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.8 mt -69.2 -48.27 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.329 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -55.4 -36.87 66.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.499 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.41 -33.84 71.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.532 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -72.44 -65.38 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.537 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -84.97 -104.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.589 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.58 9.18 0.03 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 66.5 mt -81.19 126.42 76.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.66 0.267 . . . . 0.0 110.428 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.02 143.74 36.81 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.571 2.181 . . . . 0.0 111.987 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -45.94 -65.81 0.17 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.824 2.349 . . . . 0.0 112.009 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 38' ' ' PRO . 10.6 t0 -38.06 -26.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.682 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' B' ' 38' ' ' PRO . 46.8 mm-40 -108.58 61.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -149.88 152.98 35.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -148.95 102.71 3.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.389 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.562 HD12 ' N ' ' B' ' 43' ' ' LEU . 8.8 mp -89.28 113.87 25.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.738 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 95.7 mt -115.4 140.38 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.43 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' B' ' 48' ' ' LYS . 69.2 t80 -150.88 135.26 17.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.75 25.25 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.53 -15.15 52.71 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' B' ' 45' ' ' PHE . 29.2 mttm -90.39 124.65 35.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.679 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -83.13 133.74 35.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.48 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.58 123.37 31.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.592 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -90.64 158.85 16.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.28 158.36 33.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 89.95 -66.3 2.81 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' B' ' 53' ' ' GLY . 12.1 mmt85 -43.71 171.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.515 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.7 p -114.13 167.26 10.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.606 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.565 ' CD1' HG21 ' B' ' 17' ' ' VAL . 85.2 mt -64.78 -18.34 64.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.579 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.486 ' C ' ' H ' ' B' ' 59' ' ' TYR . 8.3 t -74.95 -30.08 61.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.668 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.514 ' O ' ' CD1' ' B' ' 59' ' ' TYR . 1.3 m-20 -74.98 29.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' B' ' 58' ' ' ASP . 82.4 m-85 -156.03 0.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.624 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.607 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.6 OUTLIER 63.3 22.27 13.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.716 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.4 mt -67.54 96.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -78.43 -157.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.625 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -86.01 157.62 20.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.707 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 61.97 32.46 17.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.792 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.2 m -88.53 130.21 35.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.433 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 11.6 m -91.07 98.52 11.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.556 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -82.8 120.88 26.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.482 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -76.46 100.27 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.455 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 tp -88.8 106.34 18.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.497 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.446 HG13 HD22 ' B' ' 8' ' ' LEU . 1.8 t -114.95 155.4 16.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.52 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.441 ' N ' HD12 ' B' ' 71' ' ' LEU . 9.7 mp -86.48 111.13 20.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.654 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.475 ' N ' ' O ' ' C' ' 17' ' ' VAL . 30.0 ttp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -89.85 122.67 33.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.615 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 11.5 pt -126.08 154.01 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.474 ' HD1' ' HG1' ' C' ' 14' ' ' THR . 72.7 m-85 -109.86 149.21 30.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.728 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 43.6 t -129.93 105.67 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.276 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -88.0 125.79 34.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.716 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 31.7 p -91.65 142.81 27.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.451 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.487 ' O ' HD23 ' C' ' 8' ' ' LEU . 0.6 OUTLIER -59.0 -12.89 5.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.492 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 62.7 p -80.69 -55.01 5.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.49 70.81 0.02 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -169.61 132.5 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 110.624 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -108.29 106.0 15.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.446 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mt -92.59 136.03 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.62 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . 0.474 ' HG1' ' HD1' ' C' ' 4' ' ' PHE . 6.8 m -107.27 127.59 53.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.416 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 mt -130.57 136.28 48.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -89.92 105.78 18.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.41 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' C' ' 1' ' ' MET . 14.0 m -125.82 -164.05 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.789 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.446 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.3 mt-10 -140.25 177.35 2.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.247 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.1 Cg_exo -75.06 -27.05 10.25 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.824 2.35 . . . . 0.0 112.202 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.17 4.98 43.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.663 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.4 134.08 37.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 5.6 p -87.08 143.71 27.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.693 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 24.4 mm -46.61 -46.43 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.35 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -51.56 -43.72 62.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.277 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.474 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 22.5 t30 -60.45 -45.44 93.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.287 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 44.8 t -56.9 -50.73 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.237 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -54.52 -30.42 53.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.286 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -67.57 -50.04 60.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.254 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -57.16 -42.19 80.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.297 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.6 mt -63.09 -41.21 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.43 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -58.92 -38.6 79.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.375 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -68.75 -29.88 68.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.471 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -75.49 -60.98 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.511 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -89.03 -84.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.552 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.2 24.38 0.05 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.467 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 48.7 mt -92.31 108.64 32.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.692 0.282 . . . . 0.0 110.556 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.69 132.85 13.45 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.708 2.272 . . . . 0.0 111.92 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.558 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.46 -38.76 21.58 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.753 2.302 . . . . 0.0 111.925 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.78 14.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.558 ' H ' ' C ' ' C' ' 38' ' ' PRO . 30.6 mt-30 -146.76 56.96 1.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.49 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -147.74 151.68 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -143.11 108.74 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 mt -103.08 128.06 50.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mt -130.7 149.33 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.564 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . 0.552 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 56.3 t80 -155.74 -178.58 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.508 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . 0.552 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -41.11 -21.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.41 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -105.67 64.9 0.29 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . 0.418 ' HB3' ' H ' ' C' ' 49' ' ' GLN . 24.4 mmtp 42.07 -147.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 110.658 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.418 ' H ' ' HB3' ' C' ' 48' ' ' LYS . 25.6 tt0 -87.91 140.87 29.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.447 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . 0.415 ' N ' HD23 ' C' ' 50' ' ' LEU . 8.0 mt -89.26 121.73 31.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.661 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -73.65 159.0 33.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.677 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.68 97.64 9.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.39 -55.13 0.44 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.405 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 12.1 mmt85 -48.39 173.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.777 0.323 . . . . 0.0 110.502 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 11.9 p -113.57 155.83 24.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.461 ' CD1' HG21 ' C' ' 17' ' ' VAL . 81.9 mt -58.6 -14.49 8.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.535 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 13.2 t -78.4 -37.62 43.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.582 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.88 -37.57 74.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -91.2 19.82 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.612 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' C' ' 60' ' ' ASN . 19.1 p30 42.14 33.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.842 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 60.1 mt -72.54 101.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.458 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -80.82 -167.96 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.735 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -74.69 159.83 31.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 58.94 32.38 22.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.791 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 39.7 m -90.67 126.88 36.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.469 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 6.3 m -90.21 107.57 19.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.609 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 mt -91.63 128.14 37.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.484 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -79.91 107.33 12.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.5 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 61.3 tp -97.62 139.32 33.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.646 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 17.4 t -142.79 136.48 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.476 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.426 HD22 HD13 ' C' ' 36' ' ' ILE . 4.6 mt -86.24 149.22 25.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.66 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . 0.474 ' O ' ' CG ' ' A' ' 548' ' ' ASP . 40.2 ttm180 -63.87 -56.78 12.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' C' ' 73' ' ' LEU . 0.2 OUTLIER -175.84 90.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.499 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . 0.58 ' HE ' HD23 ' A' ' 510' ' ' LEU . 53.8 mtt-85 54.65 107.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.523 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.0 142.44 10.84 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 495' ' ' ILE . 66.4 mt -83.86 -13.52 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.721 0.296 . . . . 0.0 110.434 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -70.01 -42.06 73.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.664 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.441 ' C ' ' H ' ' A' ' 499' ' ' GLY . 48.3 m-85 -46.86 -59.92 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -53.9 -9.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.597 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -72.16 -15.79 76.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 46.5 t -146.95 -55.19 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.8 0.334 . . . . 0.0 110.597 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 55.6 tttm 61.08 86.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.523 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.558 ' N ' ' OD1' ' A' ' 502' ' ' ASN . 4.4 p-10 -134.48 -169.88 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -82.5 9.61 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.698 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -89.81 -49.72 6.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.04 0.448 . . . . 0.0 110.103 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.455 ' O ' HD13 ' A' ' 509' ' ' LEU . 50.2 t -48.84 -49.42 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.257 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.1 tp -72.56 -36.57 68.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.502 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -60.1 -9.55 11.61 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.5 mp -120.53 -40.14 2.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 110.714 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 505' ' ' VAL . 7.2 mp -67.93 -66.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.488 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.6 tp -37.37 -62.21 0.62 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.87 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.488 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.12 -55.15 3.9 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.573 2.182 . . . . 0.0 111.721 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 512' ' ' ILE . 73.3 mt -52.23 -14.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.46 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 511' ' ' PRO . . . -132.15 32.68 3.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.519 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -162.46 -33.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.725 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.585 ' C ' HH12 ' B' ' 42' ' ' ARG . 3.8 p -30.03 -79.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.666 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.555 ' OG1' ' NH1' ' B' ' 42' ' ' ARG . 1.9 m -171.06 -71.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.764 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.518 ' C ' HD22 ' A' ' 518' ' ' LEU . 80.8 m-20 -127.32 73.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.789 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.2 mm? -105.0 151.88 39.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.203 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.28 107.3 0.1 OUTLIER 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.773 2.315 . . . . 0.0 111.922 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 26.2 pt -69.71 -6.57 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.692 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -77.85 -46.64 20.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 10.1 m -87.21 -32.83 19.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.625 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -59.4 -38.47 80.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.587 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.75 -53.03 34.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 21.1 mmt -64.16 -42.21 96.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -56.44 -59.67 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.583 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 14.8 m -44.59 -52.45 8.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.495 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 528' ' ' LEU . 0.2 OUTLIER -54.95 -62.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.73 -36.93 12.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.512 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.505 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.8 tt -56.98 -56.69 18.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.525 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.8 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -48.88 -42.94 38.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.609 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.469 ' C ' ' H ' ' A' ' 535' ' ' VAL . 83.5 t -77.66 -56.48 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.544 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -75.76 24.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.472 HG13 ' N ' ' A' ' 536' ' ' GLY . 12.1 p -55.97 -39.45 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.472 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -76.44 -80.72 0.6 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 537' ' ' THR . 0.1 OUTLIER -80.72 127.23 32.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.478 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.414 ' C ' ' ND2' ' A' ' 539' ' ' ASN . 4.3 p -126.63 -177.99 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.414 ' ND2' ' C ' ' A' ' 538' ' ' CYS . 7.6 m-80 -151.58 164.96 35.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.443 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -76.02 -38.43 35.43 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -46.66 -56.07 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.564 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.2 mt -44.39 -46.33 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.595 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 544' ' ' THR . 41.5 m -67.75 -65.52 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.477 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 543' ' ' THR . 67.3 p -39.01 -44.79 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.549 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 23.0 m -66.92 -53.53 31.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.098 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.07 -31.51 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.126 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.2 mmt -69.51 -44.16 71.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.383 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.454 ' OD1' ' NH2' ' C' ' 42' ' ' ARG . 45.8 m-20 -51.28 -36.09 40.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.222 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -72.63 -45.99 56.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.392 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -47.74 -63.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.427 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 551' ' ' LEU . 10.8 mp -51.55 -40.42 59.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.436 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.567 ' O ' ' O ' ' A' ' 553' ' ' ARG . 0.3 OUTLIER -78.39 -95.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.531 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.567 ' O ' ' O ' ' A' ' 552' ' ' GLU . 18.0 ttm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 10.3 t0 . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.903 0.383 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -179.7 -14.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.56 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 563' ' ' VAL . 7.2 p -72.11 -10.24 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.624 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -68.8 -71.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.682 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -70.27 -43.47 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.726 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 51.0 tp -50.83 -47.2 60.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.594 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -62.44 -63.92 1.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.668 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 23.8 mt -43.94 -35.86 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.578 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -58.67 -71.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 56.7 tp -42.5 -23.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -77.58 -76.78 0.86 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 16.0 pt -47.46 -19.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.598 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 571' ' ' GLY . 30.0 tp -56.38 -48.0 77.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.445 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -92.06 129.94 37.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.3 ttt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.794 0.331 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -48.06 -59.73 3.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.535 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 98.0 t -56.72 -51.36 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.539 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -44.49 -32.85 1.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.577 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.89 -56.58 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 90.8 t -46.21 -49.87 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 585' ' ' LEU . 11.0 mp -54.22 -46.73 72.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.468 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -47.99 -33.76 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.388 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 17.9 m -70.21 -50.41 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.412 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 62.7 mt -48.88 -38.52 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.492 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 3.6 m -73.84 -35.3 64.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.5 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.403 ' HB1' ' CG2' ' C' ' 44' ' ' ILE . . . -49.34 -43.84 44.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.435 ' O ' ' O ' ' A' ' 592' ' ' GLU . 7.1 pt -103.45 154.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.57 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 6.5 mp0 -59.36 -124.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.479 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 1.8 m-70 60.83 76.16 0.43 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.76 7.17 2.88 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.022 2.482 . . . . 0.0 111.862 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 20.6 mmt -79.29 -18.69 52.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.504 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 4.1 p -85.49 -3.41 58.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.536 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 8.0 t -45.99 -45.77 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.584 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.32 -40.64 78.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.577 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . 0.686 HD12 ' N ' ' A' ' 599' ' ' ILE . 1.7 mp -71.39 -34.4 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -69.44 -49.61 53.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.601 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 82.7 t -53.74 -67.97 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.556 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 48.7 mt -46.96 -73.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.484 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 41.4 t -50.1 -18.24 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -76.93 -63.69 2.25 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 10.5 m -47.64 -68.83 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 110.546 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 90.4 m -80.55 118.29 22.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttp . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -84.85 124.24 31.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.617 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -125.28 150.52 30.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -106.1 138.33 42.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.673 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -116.5 104.14 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.089 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -81.4 130.91 35.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 59.4 p -93.88 154.74 17.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.255 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 tp -71.02 48.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.504 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 73.2 p -150.02 -55.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.548 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.74 -13.33 0.14 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -77.25 152.89 34.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -137.28 107.05 6.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.424 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -90.15 135.92 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -105.37 129.03 53.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.238 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -128.34 133.54 48.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.824 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -89.4 107.67 19.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.185 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.516 HG21 ' CD1' ' B' ' 56' ' ' LEU . 10.5 m -131.5 -163.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.986 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.427 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.3 mt-10 -141.82 176.45 2.4 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.129 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.2 Cg_exo -74.5 -25.41 12.99 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.715 2.276 . . . . 0.0 112.24 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.67 5.15 47.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.676 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.406 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 3.7 m-20 -78.53 139.16 38.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.566 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.9 p -87.06 142.43 27.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.773 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 mm -49.15 -49.37 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.268 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -49.28 -41.31 37.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.265 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.438 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 34.6 t-20 -62.21 -44.75 95.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.164 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.75 -51.24 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.146 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -53.05 -34.07 54.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.095 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -65.17 -42.62 93.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.19 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -63.37 -34.99 78.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.343 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.1 mt -69.41 -40.4 79.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.393 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -62.95 -35.46 80.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.407 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -74.54 -21.89 59.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -83.55 -60.36 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -92.5 -92.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.566 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.3 20.76 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.563 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 57.9 mt -93.51 104.04 11.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.689 0.28 . . . . 0.0 110.522 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.72 142.04 7.81 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.609 2.206 . . . . 0.0 111.832 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.05 -64.83 0.22 Allowed 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.792 2.328 . . . . 0.0 112.156 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.497 ' CB ' HE22 ' B' ' 40' ' ' GLN . 1.4 m-20 -38.57 -36.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.497 HE22 ' CB ' ' B' ' 39' ' ' ASP . 2.7 mp0 -93.57 59.06 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.727 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.563 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 60.8 mt-30 -157.52 153.22 26.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.644 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.585 HH12 ' C ' ' A' ' 515' ' ' SER . 31.0 ttp180 -143.9 104.1 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.307 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.3 mt -85.14 111.26 19.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.813 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mm -111.68 146.64 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.285 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -151.78 115.07 4.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.426 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.99 22.41 13.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.428 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.31 25.54 43.31 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -124.81 131.8 53.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.634 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -82.72 120.1 25.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.487 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -83.05 88.41 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.369 . . . . 0.0 110.537 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -52.45 158.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.607 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -71.73 173.32 8.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.524 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 77.02 -58.79 3.56 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' B' ' 53' ' ' GLY . 17.6 mmt180 -45.44 173.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 110.569 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 64.5 p -120.14 164.09 16.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.675 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.516 ' CD1' HG21 ' B' ' 17' ' ' VAL . 97.0 mt -62.83 -21.77 66.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.6 t -75.91 -28.26 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.727 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -73.21 8.17 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.422 ' O ' ' CG ' ' B' ' 60' ' ' ASN . 65.5 m-85 -136.84 22.2 3.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' B' ' 59' ' ' TYR . 5.7 p-10 42.09 37.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.737 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.6 mt -84.32 99.36 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.352 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -80.66 -161.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -81.21 161.25 24.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.776 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 55.65 37.9 29.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.895 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 73.8 m -93.37 138.01 32.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.433 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -94.98 102.6 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.671 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -88.88 119.14 29.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -78.15 102.57 7.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.645 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 14.9 tp -87.21 110.14 19.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.525 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.448 ' HB ' ' HE ' ' B' ' 42' ' ' ARG . 2.0 t -111.26 156.86 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.476 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 74.1 mt -88.72 124.98 34.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.473 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.415 HH21 HE21 ' B' ' 40' ' ' GLN . 52.6 ttp180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.697 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttp . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -83.89 111.81 19.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.683 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 pt -115.21 152.49 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.624 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.417 ' CE1' HG23 ' C' ' 14' ' ' THR . 77.0 m-85 -104.74 150.53 24.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.518 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' C' ' 13' ' ' ILE . 41.1 t -128.74 100.31 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.15 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -84.1 114.08 21.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.631 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 10.6 p -76.34 144.39 40.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 36.4 tp -64.87 -15.29 61.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.522 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 19.9 p -80.62 -61.12 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.09 78.23 0.03 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -173.55 162.95 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 30.1 m -139.01 96.51 3.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.448 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' C' ' 5' ' ' VAL . 0.0 OUTLIER -83.78 135.49 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 -179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . 0.481 ' C ' HD12 ' C' ' 15' ' ' LEU . 8.6 m -106.54 98.6 8.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.151 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.541 HD12 ' N ' ' C' ' 15' ' ' LEU . 10.4 mp -101.69 133.62 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.042 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -90.77 113.93 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.053 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.427 HG21 ' CD1' ' C' ' 56' ' ' LEU . 4.6 m -136.97 -162.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.109 0.48 . . . . 0.0 110.971 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.535 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 22.4 mt-10 -146.47 148.54 34.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.085 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.16 -49.06 8.99 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.858 2.372 . . . . 0.0 112.462 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.433 ' O ' ' C ' ' C' ' 21' ' ' ASP . 0.7 OUTLIER -57.8 -40.55 80.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.171 -179.641 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 25.3 m-20 -36.8 145.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.892 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 41.5 p -93.71 147.83 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 37.2 mm -50.92 -42.63 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.502 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -54.37 -46.99 73.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.433 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -60.09 -37.46 80.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.407 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.7 t -63.21 -52.14 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.325 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . 0.451 ' HZ2' ' HG ' ' C' ' 43' ' ' LEU . 30.2 mttp -51.59 -42.12 61.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.089 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.34 -46.82 87.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.236 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -55.5 -46.46 76.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.263 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 15.5 mt -58.03 -46.42 87.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.367 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -55.92 -30.54 61.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.358 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -71.07 -42.69 69.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.472 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -67.5 -54.03 23.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.37 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -97.06 -106.13 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.505 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . 176.55 13.85 0.02 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.584 HD13 HD22 ' C' ' 71' ' ' LEU . 42.0 mt -76.41 114.41 37.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.659 0.266 . . . . 0.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -46.2 134.86 15.3 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.571 2.181 . . . . 0.0 111.883 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.507 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.25 -42.68 21.86 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.76 2.307 . . . . 0.0 112.017 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -73.24 26.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.701 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' C' ' 38' ' ' PRO . 62.5 mt-30 -154.18 52.42 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.527 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 65.3 mt-30 -150.09 95.72 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.833 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . 0.454 ' NH2' ' OD1' ' A' ' 548' ' ' ASP . 56.1 mtm180 -89.56 102.92 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.234 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' HZ2' ' C' ' 27' ' ' LYS . 3.5 mt -89.88 129.45 36.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.988 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.403 ' CG2' ' HB1' ' A' ' 590' ' ' ALA . 87.8 mt -127.49 132.72 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.133 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 71.3 t80 -139.85 167.55 21.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.788 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . 0.603 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -40.55 89.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.57 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 149.11 -62.02 0.42 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . 0.596 ' CD ' ' H ' ' C' ' 49' ' ' GLN . 6.1 tmtp? 178.28 -151.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.616 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.596 ' H ' ' CD ' ' C' ' 48' ' ' LYS . 7.2 tt0 -93.72 144.49 25.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.476 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -89.09 131.28 35.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.661 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' C' ' 51' ' ' GLU . 5.5 mp0 -101.87 158.27 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.542 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -64.69 164.28 12.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.611 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 80.09 -64.15 3.99 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' C' ' 53' ' ' GLY . 16.3 mmt180 -42.81 168.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.573 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 82.6 p -115.64 161.85 18.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.427 ' CD1' HG21 ' C' ' 17' ' ' VAL . 85.3 mt -62.37 -7.62 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 89.7 p -85.83 -41.34 15.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.673 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.48 -10.86 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.768 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -112.67 -3.67 14.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.614 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . 0.405 ' C ' HE21 ' C' ' 62' ' ' GLN . 6.2 m120 64.94 21.33 12.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.771 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.16 109.9 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.395 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.405 HE21 ' C ' ' C' ' 60' ' ' ASN . 49.7 mm-40 -86.01 -160.01 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -84.32 158.23 21.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 56.73 34.58 24.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 26.1 m -90.89 135.77 33.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.512 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -89.0 110.24 20.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.636 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mp -95.17 111.51 23.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.472 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -72.35 103.37 3.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.44 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 10.8 tp -91.81 116.94 29.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.575 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 67.9 t -108.64 131.33 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.441 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.584 HD22 HD13 ' C' ' 36' ' ' ILE . 6.1 mt -84.79 151.56 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.686 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -90.42 75.07 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.401 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 30.4 tp 55.08 92.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.425 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 55.09 176.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.523 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.09 -162.24 29.65 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 495' ' ' ILE . 65.7 mt -73.48 -8.85 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -79.28 -77.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -86.85 25.57 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.683 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -40.97 -74.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.586 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -112.82 86.23 0.42 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 72.5 m -164.82 -41.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.692 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp 59.39 83.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -86.64 -100.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.655 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -172.23 -32.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -71.13 -15.81 62.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.024 0.44 . . . . 0.0 110.162 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 505' ' ' VAL . 0.9 OUTLIER -55.32 -68.01 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.241 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.525 ' CD2' HD22 ' A' ' 530' ' ' LEU . 6.1 mt -70.69 -20.11 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.421 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.404 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -64.66 -20.1 65.71 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 507' ' ' GLY . 6.7 mp -118.82 -39.54 2.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 0.0 110.761 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.469 ' CD2' HD21 ' A' ' 530' ' ' LEU . 9.6 mp -68.83 -61.75 1.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.119 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 0.9 OUTLIER -42.6 -60.31 2.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.754 -179.614 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.64 -53.35 6.22 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.497 2.131 . . . . 0.0 111.669 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.401 ' O ' HG22 ' A' ' 512' ' ' ILE . 75.9 mt -54.6 -15.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.317 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -138.06 27.08 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -145.79 -36.06 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.726 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.453 ' O ' ' OG1' ' A' ' 516' ' ' THR . 16.9 t -36.97 -62.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.605 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 515' ' ' SER . 94.9 m -168.72 -59.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.455 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' A' ' 518' ' ' LEU . 15.3 t70 -131.18 -75.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.598 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.2 mm? 56.1 149.53 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.514 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.06 118.79 2.13 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.772 2.314 . . . . 0.0 111.937 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 20.3 pt -72.77 -13.42 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.662 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -77.58 -25.6 50.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 7.4 m -98.75 -22.54 15.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.522 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -73.2 -53.74 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.523 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -44.11 -53.89 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.601 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 40.2 mtt -60.03 -53.64 55.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.59 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 529' ' ' ALA . . . -47.13 -52.26 15.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.578 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.5 t -47.26 -54.62 10.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.586 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' A' ' 531' ' ' ALA . 5.9 tp -46.84 -43.25 18.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 526' ' ' ALA . . . -54.54 -43.51 72.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.593 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.525 HD22 ' CD2' ' A' ' 506' ' ' LEU . 55.2 mt -61.56 -29.65 70.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 528' ' ' LEU . . . -65.05 -68.35 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.59 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -45.38 -33.76 2.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.6 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.517 ' C ' ' H ' ' A' ' 535' ' ' VAL . 93.8 t -79.59 -73.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -72.3 30.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.666 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.534 HG13 ' N ' ' A' ' 536' ' ' GLY . 10.5 p -49.86 -43.69 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.497 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.534 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -91.51 -67.09 1.15 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 28.8 m -53.38 117.58 3.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 47.3 t -109.62 145.25 36.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -147.95 136.92 22.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -61.85 -44.88 97.26 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -45.28 -49.26 12.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.608 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.3 mt -55.97 -43.72 75.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 8.8 m -64.83 -60.0 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.612 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 74.7 p -45.17 -53.61 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.51 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 31.2 m -55.6 -47.28 76.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.979 0.418 . . . . 0.0 110.131 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . 0.432 ' CG2' HD21 ' A' ' 570' ' ' LEU . 0.3 OUTLIER -63.41 -28.62 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.293 179.737 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.3 tpt -74.74 -41.53 59.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.418 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -53.85 -52.0 61.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.359 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -61.51 -30.86 70.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.248 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . 0.627 ' CE1' ' NH2' ' A' ' 553' ' ' ARG . 19.3 t80 -69.44 -25.76 64.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.364 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 37.1 tp -90.7 -44.18 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.527 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.63 -4.96 7.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.627 ' NH2' ' CE1' ' A' ' 550' ' ' PHE . 29.8 ttm180 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.44 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.817 0.341 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -174.92 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.602 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 563' ' ' VAL . 7.4 p -66.46 -12.1 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.534 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -75.97 -77.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.578 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -52.07 -31.28 29.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.547 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 550' ' ' PHE . 55.4 tp -61.93 -48.85 78.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.93 -62.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.581 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 568' ' ' LEU . 10.3 mp -42.58 -47.69 5.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.475 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.476 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -49.49 -64.16 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.53 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.432 HD21 ' CG2' ' A' ' 546' ' ' ILE . 60.8 mt -57.0 -5.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.476 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -90.33 -71.58 1.24 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 11.9 pt -64.98 -4.81 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 tp -61.18 -58.75 7.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.515 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -80.55 125.3 29.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.566 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 575' ' ' MET . 1.6 tmt? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.854 0.359 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -45.43 -42.77 10.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.9 -49.7 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.591 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -48.19 -38.09 17.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.72 -36.13 75.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.45 -52.87 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 47.0 mt -55.69 -35.16 65.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.89 -38.59 91.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.524 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 7.1 m -68.73 -54.87 13.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 99.5 mt -44.26 -45.69 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.522 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.1 m -60.99 -38.32 85.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.496 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -55.81 -28.89 58.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.406 ' N ' HD13 ' A' ' 591' ' ' ILE . 6.8 mm -86.61 155.37 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.591 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -73.18 -146.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 6.7 m170 44.78 75.61 0.63 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.4 18.32 0.59 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.941 2.428 . . . . 0.0 111.962 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 20.4 ttt -77.85 -20.82 52.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 599' ' ' ILE . 5.8 t -71.05 -2.93 17.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 65.3 p -40.53 -29.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.603 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.16 98.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 596' ' ' THR . 55.4 mt -77.31 -27.25 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.554 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.05 -40.4 96.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.71 -33.79 27.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.446 ' C ' HD13 ' A' ' 602' ' ' LEU . 0.2 OUTLIER -62.61 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 13.1 t -65.12 -18.88 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.562 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -67.67 -72.32 0.81 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 51.0 p -48.48 -53.45 17.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.337 . . . . 0.0 110.588 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 8.1 m -80.7 123.68 28.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.63 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttp . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -75.93 105.73 7.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.581 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.2 pt -109.74 150.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -105.2 143.67 33.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.666 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -127.38 103.21 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.364 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -75.19 139.55 42.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.702 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -106.57 152.66 23.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.375 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.51 64.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -165.82 -51.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.514 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.94 -6.21 0.43 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -88.44 156.64 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.614 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.8 m -136.98 118.22 14.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.515 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 mt -96.6 128.41 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -104.2 117.21 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.351 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.579 ' CD2' ' NZ ' ' B' ' 33' ' ' LYS . 15.0 mt -118.41 136.03 54.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -88.08 102.35 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.303 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' B' ' 56' ' ' LEU . 10.7 m -121.84 -165.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.71 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.616 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 23.8 mt-10 -147.61 150.24 36.19 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.335 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.41 -28.72 4.16 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.893 2.396 . . . . 0.0 112.347 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.62 15.41 6.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.904 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.616 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 1.4 m-20 -92.91 134.75 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.486 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.454 ' OG1' ' CG ' ' B' ' 24' ' ' GLU . 25.8 p -82.67 147.27 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.765 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 24.2 mm -54.26 -41.34 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.158 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.454 ' CG ' ' OG1' ' B' ' 22' ' ' THR . 9.6 pt-20 -55.65 -41.4 73.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.17 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.672 HD21 ' NZ ' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -62.8 -47.02 85.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.237 179.713 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.78 -53.52 36.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.295 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -50.76 -36.24 35.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.083 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -61.96 -47.33 85.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.123 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.672 ' NZ ' HD21 ' B' ' 25' ' ' ASN . 51.6 mttp -57.59 -43.19 84.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.202 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 13.8 mt -59.52 -45.8 93.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.294 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -56.8 -35.66 69.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.308 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 4.7 m-20 -65.06 -44.28 89.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.44 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.579 ' NZ ' ' CD2' ' B' ' 15' ' ' LEU . 1.2 mptm? -67.16 -63.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.41 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -86.16 -117.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.565 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -171.27 18.79 0.06 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.479 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 54.6 mt -88.29 108.63 23.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.642 0.258 . . . . 0.0 110.566 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.479 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.86 140.74 9.53 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.705 2.27 . . . . 0.0 111.934 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.42 -43.86 21.41 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.749 2.299 . . . . 0.0 112.084 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.457 ' CB ' HE22 ' B' ' 40' ' ' GLN . 2.1 m-20 -60.64 -32.5 71.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' B' ' 40' ' ' GLN . 1.9 mp0 -92.31 52.92 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -144.81 161.6 38.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.631 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.495 ' NE ' ' OE1' ' B' ' 49' ' ' GLN . 70.1 ttt180 -157.24 92.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.529 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.89 117.54 17.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.611 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -111.22 146.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -160.72 129.95 4.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.63 38.92 29.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.51 38.62 96.1 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -145.82 129.25 16.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.592 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.495 ' OE1' ' NE ' ' B' ' 42' ' ' ARG . 35.9 tt0 -80.77 129.87 34.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.8 113.1 21.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.558 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -72.44 158.98 34.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.562 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.0 163.01 28.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.462 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 87.1 -64.21 3.9 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' B' ' 53' ' ' GLY . 20.1 mmt180 -42.52 168.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 110.526 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.9 p -113.21 168.37 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.442 ' CD1' HG21 ' B' ' 17' ' ' VAL . 60.8 mt -68.92 -17.37 63.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.522 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 92.8 p -77.64 -24.57 49.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.541 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' B' ' 58' ' ' ASP . 2.2 m-20 -78.18 15.41 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.62 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -140.92 3.08 1.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.498 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' B' ' 60' ' ' ASN . 0.3 OUTLIER 65.65 15.97 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.776 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.46 98.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.444 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -79.68 -157.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.703 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -86.29 162.7 18.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.714 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 58.57 18.01 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.734 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -66.46 166.59 12.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.364 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 39.1 m -128.38 98.31 5.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.559 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.09 122.54 29.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -82.81 97.58 8.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 5.1 tp -73.91 127.58 33.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.491 ' C ' HD22 ' B' ' 71' ' ' LEU . 2.8 t -132.73 160.95 42.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.634 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.491 HD22 ' C ' ' B' ' 70' ' ' VAL . 4.2 mm? -103.86 125.15 50.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.614 -179.923 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.482 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -97.23 112.39 24.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.603 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.6 pt -108.21 157.56 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.792 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -114.66 137.31 52.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.585 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 83.9 t -113.22 107.89 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.415 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -92.32 125.83 37.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.67 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -89.37 142.01 28.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.412 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.533 ' O ' HD23 ' C' ' 8' ' ' LEU . 1.0 OUTLIER -49.91 -48.83 51.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.484 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 57.8 p -51.2 -69.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.42 80.38 0.03 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -172.62 122.2 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 110.565 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 10.2 m -102.65 137.08 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.59 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -124.97 128.48 73.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.616 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 6.5 m -92.75 116.39 28.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.315 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -126.5 134.23 50.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.769 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -84.99 120.55 26.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.4 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.2 m -138.17 -176.43 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.704 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.555 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.9 mm-40 -132.79 176.75 2.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.244 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -75.06 -26.18 11.06 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.783 2.322 . . . . 0.0 111.928 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -89.62 1.4 56.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.555 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 9.1 m-20 -70.79 133.03 46.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.514 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.4 p -87.05 143.24 27.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.666 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -46.64 -53.91 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.375 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -48.58 -35.42 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.326 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -66.1 -42.26 89.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.261 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.44 -51.4 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.332 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -52.02 -38.87 58.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.236 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.56 94.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.3 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.44 -38.38 77.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.402 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 7.5 mt -68.92 -36.48 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.388 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.437 ' OE1' ' O ' ' C' ' 36' ' ' ILE . 44.6 tp60 -63.45 -32.82 74.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.463 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.76 -36.29 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.568 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -72.57 -66.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -82.88 -99.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.25 19.04 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.565 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 73.1 mt -88.78 118.08 68.95 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.651 0.262 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.9 135.14 14.09 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.606 2.204 . . . . 0.0 111.957 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.18 -50.63 9.74 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.788 2.325 . . . . 0.0 111.942 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -53.64 -37.63 63.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -88.81 54.25 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.668 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.565 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 62.7 mt-30 -153.94 100.24 2.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.673 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -98.2 101.74 13.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.427 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.3 130.25 34.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.59 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mt -133.21 145.16 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . 0.553 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 55.9 t80 -129.53 176.14 8.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . 0.553 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -39.94 -24.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -86.24 -91.03 0.92 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -146.98 -146.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.341 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -90.31 141.41 28.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.497 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mt -90.1 111.78 23.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.543 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -73.1 157.75 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -74.1 115.62 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.477 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 131.02 -61.69 0.66 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.7 mmt180 -44.36 171.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.496 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.507 ' HG1' ' HG ' ' C' ' 57' ' ' SER . 3.1 p -112.99 166.39 11.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.584 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' C' ' 56' ' ' LEU . 89.2 mt -67.71 -18.71 65.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.59 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . 0.507 ' HG ' ' HG1' ' C' ' 55' ' ' THR . 29.1 p -83.81 -6.39 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.612 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -88.81 -5.93 57.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -123.51 15.77 9.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.52 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 27.7 m120 58.61 15.61 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.88 91.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.434 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -73.41 -161.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.742 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -82.59 159.58 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.749 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 57.69 32.68 22.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 30.3 m -88.01 133.28 33.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 20.1 m -94.39 101.75 13.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -83.29 171.24 13.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.607 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -125.77 108.67 11.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.364 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . 0.748 ' C ' HD23 ' C' ' 69' ' ' LEU . 6.3 tt -92.85 124.28 36.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.542 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.695 ' N ' HD23 ' C' ' 69' ' ' LEU . 67.6 t -122.69 104.45 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.469 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.627 ' O ' HD12 ' C' ' 71' ' ' LEU . 0.3 OUTLIER -78.89 155.24 29.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -68.33 -24.57 64.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 177.65 177.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -47.49 120.08 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.53 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.35 162.46 0.97 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 495' ' ' ILE . 71.4 mt -84.78 -11.48 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.749 0.309 . . . . 0.0 110.568 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -70.87 -43.72 67.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.49 ' C ' ' H ' ' A' ' 499' ' ' GLY . 55.4 m-85 -48.48 -48.81 37.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -50.4 -10.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.582 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -82.02 -28.61 40.85 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 80.2 p -174.55 99.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 110.568 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -72.61 53.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.492 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 6.4 t-20 -66.68 -172.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . 0.492 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 12.8 m-20 -84.12 14.18 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.552 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -86.42 -35.97 19.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.287 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.463 HG23 ' H ' ' A' ' 505' ' ' VAL . 2.4 t -50.92 -69.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.398 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.524 ' HB3' HD23 ' A' ' 510' ' ' LEU . 9.4 mt -67.09 -42.32 84.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.59 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -41.09 -25.93 0.15 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 506' ' ' LEU . 43.1 mt -114.32 -40.2 3.7 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.031 -0.267 . . . . 0.0 110.995 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 510' ' ' LEU . 5.6 mp -63.28 -57.07 11.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.754 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.64 ' O ' ' N ' ' A' ' 514' ' ' ALA . 1.2 mm? -39.97 -67.32 0.29 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.579 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.93 -57.74 2.03 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.739 2.292 . . . . 0.0 111.951 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 512' ' ' ILE . 84.3 mt -57.18 -11.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.741 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -147.27 34.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.704 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.64 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -159.96 -36.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.673 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.494 ' O ' ' OG1' ' A' ' 516' ' ' THR . 2.7 t -35.91 -55.06 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.472 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' A' ' 515' ' ' SER . 7.0 m -170.19 -63.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.441 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' A' ' 518' ' ' LEU . 74.9 m-20 -132.27 -69.21 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.451 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.597 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.3 mm? 56.25 150.96 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.48 107.31 0.1 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.762 2.308 . . . . 0.0 112.0 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 13.3 pt -65.88 -15.53 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -66.84 -80.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.528 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 31.0 p -51.98 -45.92 64.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.52 -41.56 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -48.04 -52.99 17.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 28.6 mtt -64.36 -41.9 96.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.613 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.66 -44.74 66.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.517 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 16.5 m -63.96 -31.55 72.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.577 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.0 OUTLIER -59.29 -42.79 92.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.521 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.8 64.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.448 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.2 tt -47.59 -49.07 27.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.527 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -73.67 -53.18 10.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.509 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -46.32 -30.03 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.526 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.5 t -88.87 -48.66 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.572 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -75.56 18.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.451 ' H ' ' C ' ' A' ' 533' ' ' VAL . 13.4 p -53.79 -30.42 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.544 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -94.24 -61.47 1.08 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 70.0 p -57.7 -168.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.6 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.446 ' O ' ' ND2' ' A' ' 539' ' ' ASN . 41.3 t -168.6 143.57 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 20.7 m120 -160.78 138.67 9.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.564 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.87 -36.33 42.29 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -45.82 -44.65 14.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.521 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 95.7 mt -57.22 -61.49 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.539 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 8.2 m -44.77 -53.13 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.503 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.408 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 47.2 p -56.62 -39.85 74.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.418 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . 0.506 ' OG ' HD11 ' A' ' 510' ' ' LEU . 7.0 m -63.17 -50.39 70.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 0.0 110.02 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -31.35 52.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.222 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.38 -46.45 60.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.455 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 544' ' ' THR . 63.0 m-20 -52.36 -36.37 53.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -74.05 -40.55 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.598 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . 0.56 ' CE1' HD21 ' A' ' 566' ' ' LEU . 3.0 m-85 -53.11 -62.46 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.539 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' A' ' 551' ' ' LEU . 31.3 mt -57.57 -59.98 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 553' ' ' ARG . 86.2 mt-10 -48.75 -80.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 552' ' ' GLU . 28.0 ttp180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.852 0.358 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -172.02 -39.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.587 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 563' ' ' VAL . 7.3 p -63.73 -14.18 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -67.37 -77.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.63 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -56.83 -49.34 75.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.56 HD21 ' CE1' ' A' ' 550' ' ' PHE . 10.3 tp -47.61 -49.25 27.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -58.17 -61.74 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.586 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 571' ' ' GLY . 83.7 mt -42.01 -56.8 2.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -41.13 -68.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.61 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 47.9 tp -46.07 -23.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.505 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 573' ' ' LEU . . . -82.23 -77.55 1.05 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.3 pt -53.54 -8.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 110.601 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.447 ' H ' ' C ' ' A' ' 571' ' ' GLY . 19.8 tp -49.97 -58.76 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.485 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -84.42 -175.96 6.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.615 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 24.1 ttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.835 0.35 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 581' ' ' VAL . 12.6 pt20 -48.15 -42.12 28.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' A' ' 580' ' ' GLN . 87.4 t -60.88 -43.46 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.13 -43.47 61.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.26 -55.11 23.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 95.9 t -42.56 -59.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 10.0 mp -48.24 -39.99 23.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.404 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -54.3 -40.6 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.318 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 590' ' ' ALA . 4.1 m -61.8 -59.91 4.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.386 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 89.8 mt -43.82 -31.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.328 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 7.8 t -88.89 -31.3 18.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.393 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -47.09 -39.19 12.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.436 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 4.4 pt -84.64 123.47 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.463 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.434 ' N ' ' CD ' ' A' ' 592' ' ' GLU . 12.1 mp0 -54.19 164.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.46 ' O ' ' SD ' ' A' ' 595' ' ' MET . 13.9 m170 53.0 72.81 1.06 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.534 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.86 96.56 1.06 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.979 2.453 . . . . 0.0 111.861 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.46 ' SD ' ' O ' ' A' ' 593' ' ' HIS . 0.0 OUTLIER -76.91 -24.58 52.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 599' ' ' ILE . 26.9 p -85.7 2.18 46.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.534 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 596' ' ' THR . 31.7 t -33.78 -40.41 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.698 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -52.3 -50.15 62.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 599' ' ' ILE . 1.8 mp -70.1 -36.2 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.413 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -51.31 -43.75 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.468 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 55.4 t -71.84 -38.3 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 14.9 tp -57.04 -73.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 62.5 t -47.37 -52.84 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -45.79 -50.4 11.57 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 24.1 p -51.96 -32.24 32.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.468 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 55.4 m -85.31 -170.58 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 29.2 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -101.47 111.38 23.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.678 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 pt -112.89 153.46 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.6 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -109.6 157.03 19.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 74.4 t -132.55 107.22 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -88.61 123.08 32.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.486 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 44.1 p -72.78 -140.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -134.43 38.82 3.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 40.8 p -147.44 -26.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.76 -4.25 3.58 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -85.47 143.3 28.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.806 0.336 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -134.61 137.91 44.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -110.42 173.58 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.499 ' C ' HD12 ' B' ' 15' ' ' LEU . 16.8 m -142.5 97.3 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.425 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.537 ' N ' HD12 ' B' ' 15' ' ' LEU . 10.5 mp -102.97 144.08 31.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -97.18 123.48 40.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.305 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' B' ' 56' ' ' LEU . 6.0 m -145.96 -164.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.817 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.571 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 4.6 mt-10 -146.03 147.74 33.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.307 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.28 -16.98 0.17 Allowed 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.826 2.351 . . . . 0.0 112.261 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.417 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -88.08 -27.41 21.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.798 -179.804 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.571 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -50.1 141.4 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.704 -179.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.496 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.9 p -94.11 139.85 30.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.588 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.6 mm -40.58 -50.41 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -50.34 -44.65 54.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.548 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -60.52 -40.26 90.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.476 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.18 -57.29 12.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.312 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -47.1 -41.99 18.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.326 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.35 90.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.446 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -57.44 -35.63 70.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.485 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 6.5 mt -68.41 -48.7 71.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.381 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.98 -31.54 60.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.485 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -77.3 -27.33 52.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.513 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -78.42 -59.89 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -93.32 -106.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.553 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.75 10.94 0.05 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 21.5 mt -83.63 119.81 74.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.687 0.28 . . . . 0.0 110.505 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -72.69 146.46 43.36 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.709 2.273 . . . . 0.0 111.971 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.551 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.08 -60.41 0.87 Allowed 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.859 2.373 . . . . 0.0 111.964 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -44.21 -15.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.674 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' B' ' 38' ' ' PRO . 58.7 mm-40 -119.92 40.3 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.503 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' B' ' 38' ' ' PRO . 70.5 mt-30 -133.39 153.57 51.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.56 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -155.74 89.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.464 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.62 126.09 31.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.52 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 28.0 mt -127.18 134.8 65.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.502 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -143.87 143.71 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.594 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.1 27.96 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.522 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.27 33.71 73.78 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -144.23 130.72 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.783 0.325 . . . . 0.0 110.573 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' B' ' 50' ' ' LEU . 19.6 tm0? -74.44 131.96 41.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.465 ' O ' ' NE2' ' B' ' 49' ' ' GLN . 22.1 mt -81.69 107.5 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -70.05 150.6 46.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.475 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.36 151.21 45.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.89 -55.75 1.88 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.4 ' H ' ' HG2' ' B' ' 54' ' ' ARG . 15.1 mmt180 -53.22 170.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.741 0.305 . . . . 0.0 110.708 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.496 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 41.4 p -108.45 168.43 9.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.634 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' B' ' 17' ' ' VAL . 86.4 mt -63.4 -34.74 78.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.621 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.527 ' C ' ' H ' ' B' ' 59' ' ' TYR . 60.7 p -60.85 -30.8 70.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.65 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.527 ' O ' ' CD1' ' B' ' 59' ' ' TYR . 2.0 m-20 -72.6 25.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.527 ' CD1' ' O ' ' B' ' 58' ' ' ASP . 74.0 m-85 -154.67 11.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.462 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.2 m120 54.25 27.46 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.2 mt -76.28 93.32 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -78.74 -157.59 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.596 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -84.88 158.31 20.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.729 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 57.64 35.32 25.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.793 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.5 m -93.17 136.24 33.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.529 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -89.72 109.01 20.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.538 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mp -89.3 112.45 23.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -72.82 98.83 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 19.4 tp -85.4 114.3 22.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.554 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -119.4 159.09 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.655 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 36.6 mt -94.41 118.88 32.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.49 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.411 ' N ' ' O ' ' C' ' 17' ' ' VAL . 30.0 ttp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -97.02 123.28 40.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.552 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 6.3 pt -127.72 151.57 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.64 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.455 ' O ' HD12 ' C' ' 67' ' ' LEU . 96.6 m-85 -106.18 148.54 27.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.612 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 64.6 t -133.68 110.93 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.425 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -93.44 130.02 39.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.593 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 81.5 p -95.43 141.92 28.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.447 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.566 ' O ' HD23 ' C' ' 8' ' ' LEU . 1.2 tt -47.28 -46.96 25.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 34.6 p -52.22 -44.84 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.49 83.92 0.4 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -174.49 123.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.609 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -97.95 140.8 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -130.79 131.5 64.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -101.08 120.45 40.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.423 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -120.24 134.45 55.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.791 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' C' ' 16' ' ' GLU . 15.6 mp0 -91.22 87.37 6.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.7 m -111.87 -163.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.729 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.446 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 14.2 mt-10 -148.64 153.47 39.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.344 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.02 -46.49 13.13 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.924 2.416 . . . . 0.0 112.363 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.449 ' O ' ' C ' ' C' ' 21' ' ' ASP . 1.2 p -59.67 -45.47 91.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.9 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 1.9 m-20 -33.96 138.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.794 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 2.4 p -91.45 145.18 24.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.606 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 19.9 mm -44.01 -52.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.409 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -49.35 -40.49 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.352 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -61.81 -41.74 98.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.184 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.01 -49.0 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.252 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . 0.435 ' NZ ' ' O ' ' C' ' 41' ' ' GLN . 68.6 mttm -53.23 -38.1 62.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.271 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.16 80.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.424 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -56.77 -39.33 73.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.367 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.5 mt -67.25 -39.37 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.429 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -59.87 -36.97 78.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.498 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.99 -33.37 68.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -71.57 -60.15 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -90.64 -89.18 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.54 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.16 1.96 0.03 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -72.16 132.71 84.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.665 0.269 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.07 140.6 28.46 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.707 2.271 . . . . 0.0 111.87 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.01 -62.05 0.5 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.754 2.303 . . . . 0.0 112.055 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -40.96 -26.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.646 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' C' ' 38' ' ' PRO . 23.1 mt-30 -111.02 64.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.435 ' O ' ' NZ ' ' C' ' 27' ' ' LYS . 70.3 mt-30 -151.73 111.55 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.655 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -104.6 106.47 16.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.432 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -97.51 123.24 41.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.763 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 mt -116.49 146.14 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.485 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . 0.616 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 80.3 t80 -160.56 178.08 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.49 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . 0.616 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -43.36 -19.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.619 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -105.52 30.72 9.38 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' C' ' 45' ' ' PHE . 5.2 ttmm 62.53 -150.44 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.529 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.426 ' H ' ' CG ' ' C' ' 48' ' ' LYS . 46.1 mt-30 -71.79 133.73 45.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.5 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.0 117.35 29.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.679 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -76.97 158.71 30.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.576 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.27 164.62 25.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.581 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 84.72 -60.27 4.83 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' C' ' 53' ' ' GLY . 14.7 mmt85 -44.12 169.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 110.563 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 70.9 p -113.88 164.51 13.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.63 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.94 -1.26 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.545 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . 0.46 ' C ' ' H ' ' C' ' 59' ' ' TYR . 4.9 t -93.66 -31.21 14.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.638 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -72.97 14.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.46 ' H ' ' C ' ' C' ' 57' ' ' SER . 56.6 m-85 -138.83 8.17 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.518 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 56.06 29.67 14.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 74.1 mt -78.34 91.82 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.376 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -78.06 -157.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.65 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -81.81 159.79 23.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.684 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 59.42 33.6 22.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.685 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 11.3 m -92.66 121.46 34.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.508 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 85.5 m -95.12 105.85 17.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . 0.455 HD12 ' O ' ' C' ' 4' ' ' PHE . 1.1 mp -100.54 146.76 26.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.589 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . 0.411 ' CE1' ' OG1' ' A' ' 587' ' ' THR . 0.5 OUTLIER -87.91 149.32 24.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.217 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 47.1 tp -136.03 133.13 37.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.752 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 t -141.01 115.5 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.582 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.566 ' O ' HD12 ' C' ' 71' ' ' LEU . 0.3 OUTLIER -72.12 165.16 24.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.483 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -57.48 -65.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.496 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 23.7 tp -166.11 110.71 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.524 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 51.5 ttm-85 53.76 97.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.41 152.94 8.32 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 73.1 p -66.03 88.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.569 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.53 149.27 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 8.8 mm -59.85 -23.87 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 16.1 p -48.35 -39.04 20.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 28.2 t -54.57 -57.49 11.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.58 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -51.85 -34.95 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.76 -69.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 50.2 mt -49.04 -30.08 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.596 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 49.0 tp -59.0 -63.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.532 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -47.4 -59.67 5.71 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.604 ' N ' HD12 ' A' ' 493' ' ' LEU . 9.4 mp -53.93 -41.93 68.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.427 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -44.33 -37.53 4.71 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 40.6 mt -81.0 -25.55 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 0.0 110.511 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 493' ' ' LEU . . . -78.69 -1.27 33.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -42.17 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -87.6 11.94 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.598 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.431 ' O ' ' OG ' ' A' ' 500' ' ' SER . . . -42.96 -90.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 499' ' ' GLY . 5.4 m -167.29 35.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.573 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 71.2 tttt 62.77 99.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -116.09 156.69 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -84.8 1.14 48.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -83.96 -28.15 27.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.112 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.404 ' H ' HG23 ' A' ' 505' ' ' VAL . 4.8 t -55.05 -66.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.371 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.452 ' CD2' HD22 ' A' ' 530' ' ' LEU . 8.9 mt -71.64 -23.58 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.419 ' O ' HD12 ' A' ' 508' ' ' LEU . . . -68.11 -12.41 62.85 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 507' ' ' GLY . 2.6 mp -124.13 -45.2 2.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 110.722 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.1 -55.5 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.903 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.603 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 8.7 tp -45.12 -60.11 3.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.69 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.603 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.5 Cg_endo -48.02 -52.2 8.66 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.414 2.076 . . . . 0.0 111.662 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.434 ' O ' HG22 ' A' ' 512' ' ' ILE . 85.5 mt -55.89 -14.9 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.601 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.41 ' HB2' ' HB1' ' A' ' 523' ' ' ALA . . . -139.61 32.54 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.733 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.481 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -153.71 -37.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.781 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 514' ' ' ALA . 17.9 t -31.95 -58.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.675 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 515' ' ' SER . 22.7 m -171.41 -45.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.422 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.535 ' O ' ' O ' ' A' ' 518' ' ' LEU . 52.6 t0 -146.01 -76.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.42 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.609 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.2 mm? 55.03 149.43 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.43 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.03 132.0 10.98 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.779 2.319 . . . . 0.0 111.908 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 98.7 mt -74.93 -38.57 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 524' ' ' ALA . 48.8 mt-10 -49.81 -80.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 7.3 m -45.0 -46.26 11.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 513' ' ' ALA . . . -56.42 -32.87 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 521' ' ' GLU . . . -58.23 -60.55 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.485 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 25.2 mtt -55.59 -32.52 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.532 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -67.04 -47.09 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.554 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 9.1 t -51.35 -43.06 61.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.48 -42.73 98.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . 0.486 ' O ' HG23 ' A' ' 533' ' ' VAL . . . -50.95 -40.1 56.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.609 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.452 HD22 ' CD2' ' A' ' 506' ' ' LEU . 16.7 mt -67.19 -43.61 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -56.25 -72.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.626 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . 0.404 ' O ' HG12 ' A' ' 535' ' ' VAL . 16.1 t-80 -42.97 -51.32 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.691 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.519 ' C ' ' H ' ' A' ' 535' ' ' VAL . 82.7 t -61.2 -73.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.583 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -73.11 29.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.568 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.519 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -59.38 -30.36 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.551 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.14 -79.35 0.87 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 537' ' ' THR . 12.9 t -85.32 125.88 33.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.592 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 20.8 p -114.53 160.28 19.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.5 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -135.55 156.48 48.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -71.19 -48.09 33.55 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -43.72 -37.25 2.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 0.0 110.577 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.81 -47.15 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.639 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.5 m -69.19 -56.29 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.628 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 70.3 p -41.27 -56.24 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.592 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 58.8 p -58.18 -51.14 70.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 0.0 110.291 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -26.19 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.32 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.9 tpt -76.01 -48.8 19.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -47.32 -44.63 23.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.42 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -68.56 -35.9 78.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.518 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . 0.453 ' CE1' ' NH1' ' A' ' 553' ' ' ARG . 13.7 t80 -55.56 -43.06 75.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.521 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 553' ' ' ARG . 24.4 mt -70.59 -46.26 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -50.01 -14.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.453 ' NH1' ' CE1' ' A' ' 550' ' ' PHE . 29.5 ttp180 -41.25 143.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.488 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.482 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -105.15 -9.8 17.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.497 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 57.34 5.46 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.013 0.435 . . . . 0.0 110.097 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.482 ' H ' ' C ' ' A' ' 554' ' ' THR . 1.1 mp -102.95 -25.0 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.37 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.428 ' C ' ' H ' ' A' ' 559' ' ' LYS . 51.5 mt-10 -87.65 11.34 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.613 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 90.8 mt -54.04 -9.83 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.626 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 557' ' ' GLU . 57.8 tttp -60.39 -52.63 64.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.553 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 30.5 p -71.82 148.64 46.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.519 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -86.28 130.14 34.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.416 ' H ' ' H ' ' A' ' 563' ' ' VAL . 30.0 p-90 -178.17 -9.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.621 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.416 ' H ' ' H ' ' A' ' 562' ' ' TRP . 11.8 p -63.86 -31.08 51.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.561 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -62.42 -64.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -51.57 -44.62 62.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 569' ' ' ALA . 27.7 tp -55.16 -49.14 72.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.514 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.37 -63.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.629 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' A' ' 568' ' ' LEU . 14.1 mt -43.21 -32.88 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 566' ' ' LEU . . . -62.56 -60.34 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.592 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 39.9 mt -55.15 -12.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -94.36 -78.2 1.4 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 3.5 tp -42.38 -32.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.548 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.7 tp -44.72 -63.08 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -83.33 -176.67 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . 0.413 ' H ' ' H ' ' A' ' 576' ' ' GLY . 4.5 ptt? -178.09 12.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.532 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . 0.413 ' H ' ' H ' ' A' ' 575' ' ' MET . . . 99.89 126.95 5.85 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -172.74 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.672 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 178.95 86.68 0.07 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . 0.541 ' C ' ' O ' ' A' ' 578' ' ' GLY . 47.4 mt-10 25.61 37.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.823 0.344 . . . . 0.0 110.79 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.672 ' N ' ' O ' ' A' ' 578' ' ' GLY . 29.2 mm100 -65.25 -61.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.526 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 41.4 t -57.0 -40.25 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.559 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -49.62 -42.39 44.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.47 -38.12 80.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.583 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 44.4 t -58.28 -55.44 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 49.5 mt -55.87 -32.16 63.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.476 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -66.21 -36.48 83.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.412 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 31.6 m -68.95 -53.98 17.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 94.0 mt -46.55 -39.8 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.573 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 25.5 p -75.09 -27.59 59.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 587' ' ' THR . . . -57.07 -37.18 71.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.549 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 9.0 pt -102.93 68.02 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 60.7 -168.12 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.598 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 2.7 p-80 -138.11 77.57 36.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.485 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.06 -158.14 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.963 2.442 . . . . 0.0 111.966 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.438 ' C ' ' H ' ' A' ' 597' ' ' SER . 50.0 mtt -64.39 4.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.485 ' H ' ' C ' ' A' ' 594' ' ' PRO . 38.0 p -60.12 -4.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.581 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 595' ' ' MET . 22.9 p -45.86 -46.74 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -47.68 -45.44 28.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.529 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 14.9 mm -69.75 -46.83 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.584 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -49.66 -59.65 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.8 -66.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 57.1 tp -44.13 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 42.2 t -51.8 -28.16 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.552 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.44 -40.17 96.15 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 8.3 t -64.97 -52.21 57.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.552 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 52.2 t -81.36 128.29 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -172.07 -87.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -76.29 -174.08 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.547 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 40.8 p -60.18 132.76 54.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.562 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 173.2 59.66 0.05 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . 0.403 ' H ' ' H ' ' A' ' 612' ' ' GLY . 1.1 t -167.65 -5.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.568 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' A' ' 611' ' ' THR . . . . . . . . 0 C--O 1.22 -0.776 0 CA-C-O 118.019 -1.434 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -105.38 107.56 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.417 HG12 HG22 ' B' ' 17' ' ' VAL . 14.2 pt -104.2 155.45 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.632 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -116.24 153.32 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.638 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -129.78 106.16 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.365 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -80.76 125.97 30.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.65 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.404 ' C ' ' H ' ' B' ' 9' ' ' THR . 33.5 p -90.11 156.09 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.398 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.73 44.45 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.523 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.404 ' H ' ' C ' ' B' ' 7' ' ' THR . 25.1 p -143.73 -43.98 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.62 -15.42 1.81 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -82.96 139.42 33.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.4 m -118.44 120.94 39.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.479 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -95.53 129.38 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.665 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.7 m -103.87 124.56 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.422 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.6 mt -131.58 141.5 49.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.752 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -91.67 110.64 21.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.346 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.519 HG21 ' CD1' ' B' ' 56' ' ' LEU . 10.7 m -126.38 -173.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.746 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.479 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 7.5 mt-10 -126.32 172.75 5.97 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.183 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.64 -17.6 18.06 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.851 2.367 . . . . 0.0 112.16 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.7 t -97.81 -11.83 22.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.641 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 36.1 m-20 -55.59 137.1 49.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.525 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.0 p -86.66 139.45 30.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.0 mm -45.77 -50.49 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.23 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -48.61 -40.93 29.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.167 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.585 ' ND2' ' NZ ' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -62.28 -45.49 93.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.222 179.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.22 -52.61 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.23 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -51.46 -38.7 55.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.172 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.43 98.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.272 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.585 ' NZ ' ' ND2' ' B' ' 25' ' ' ASN . 56.7 mttp -61.93 -37.78 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.44 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mt -66.71 -36.77 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.485 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -66.76 -34.7 78.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.46 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -72.71 -26.21 61.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -84.01 -64.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -81.76 -108.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.5 12.34 0.04 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 80.1 mt -87.54 126.06 63.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.648 0.261 . . . . 0.0 110.523 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -72.91 146.33 41.88 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.566 2.177 . . . . 0.0 111.952 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.661 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -45.95 -50.03 10.34 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.817 2.345 . . . . 0.0 112.054 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.88 21.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.703 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.661 ' H ' ' C ' ' B' ' 38' ' ' PRO . 21.1 mt-30 -151.85 48.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.476 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -147.79 148.03 30.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.401 ' HE ' ' CD ' ' B' ' 49' ' ' GLN . 54.9 ttt180 -142.1 96.1 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.501 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.429 HD23 ' N ' ' B' ' 43' ' ' LEU . 4.2 mt -84.38 127.42 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mt -127.94 145.74 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -145.47 136.12 24.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.05 27.46 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.85 38.57 30.76 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -142.17 118.63 10.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.596 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.401 ' CD ' ' HE ' ' B' ' 42' ' ' ARG . 6.8 tt0 -72.64 136.31 45.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -92.43 137.11 32.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.558 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -102.6 148.98 24.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.58 178.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.538 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 69.05 -63.8 0.51 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' B' ' 53' ' ' GLY . 4.4 mpt_? -41.61 166.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.602 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.5 p -118.08 166.03 13.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.565 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.519 ' CD1' HG21 ' B' ' 17' ' ' VAL . 82.6 mt -63.85 -3.22 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.1 p -96.69 -21.28 17.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.535 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.98 9.03 11.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.472 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -135.89 11.15 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 55.06 32.46 18.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.714 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.7 mt -82.44 94.62 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.413 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -77.59 -160.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -84.33 160.31 20.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.727 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 60.28 30.78 20.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.809 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.6 m -90.62 128.89 36.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.444 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 28.2 m -91.12 92.36 8.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.534 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.88 126.38 30.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.89 108.23 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.451 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 16.9 tp -87.91 101.15 13.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.09 149.08 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.48 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.573 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.7 mm? -90.99 118.9 30.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.586 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -68.47 89.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.435 HD23 ' C ' ' B' ' 73' ' ' LEU . 1.8 tt 52.35 78.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.415 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -56.97 135.85 56.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -48.15 -75.51 0.19 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.772 0 CA-C-O 117.977 -1.457 . . . . 0.0 110.928 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -73.7 99.85 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.475 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 9.7 pt -100.28 158.8 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -114.7 145.65 41.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.622 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.58 105.89 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.496 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -88.75 130.76 35.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.615 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 81.0 p -96.73 141.94 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.46 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.511 ' O ' HD23 ' C' ' 8' ' ' LEU . 1.0 OUTLIER -48.52 -47.94 38.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.496 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 44.0 p -48.63 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.67 74.22 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -167.59 127.55 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.606 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 36.8 m -102.62 129.77 49.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.464 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mt -116.33 129.71 72.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.61 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 10.3 m -93.61 123.45 36.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.414 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 26.6 mt -131.55 129.79 41.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' C' ' 16' ' ' GLU . 27.1 mp0 -88.29 104.21 16.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.302 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.437 HG21 ' CD1' ' C' ' 56' ' ' LEU . 8.7 m -124.21 -177.13 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.564 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 3.7 mt-10 -124.44 175.03 3.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.202 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.15 -22.04 14.95 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.803 2.335 . . . . 0.0 112.171 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 6.9 t -93.84 -6.17 46.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.622 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.564 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 19.2 m-20 -61.93 137.85 58.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.532 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.6 p -88.01 140.19 29.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.747 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 40.7 mm -46.21 -47.82 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.305 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -51.95 -40.35 60.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.27 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.587 HD21 ' HZ1' ' C' ' 29' ' ' LYS . 0.2 OUTLIER -62.34 -43.48 98.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.127 179.656 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.48 -47.88 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.205 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -54.04 -42.07 68.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.358 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -44.62 93.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.349 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . 0.587 ' HZ1' HD21 ' C' ' 25' ' ' ASN . 55.4 mttp -59.2 -41.5 88.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.377 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.6 mt -62.32 -45.02 99.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.383 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -57.48 -37.85 73.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.402 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -68.94 -24.86 64.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.495 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -82.47 -64.38 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.518 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -88.86 -101.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.42 19.22 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.544 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 74.0 mt -87.23 108.71 20.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.643 0.258 . . . . 0.0 110.516 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.75 138.13 11.74 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.651 2.234 . . . . 0.0 111.915 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.552 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.66 -44.83 21.0 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.771 2.314 . . . . 0.0 112.092 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -70.05 28.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.793 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.552 ' H ' ' C ' ' C' ' 38' ' ' PRO . 20.0 mt-30 -155.0 47.43 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 67.3 mt-30 -150.69 98.13 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -88.34 104.4 16.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.394 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 63.1 mt -88.08 137.03 32.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.697 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 mt -140.88 140.64 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.553 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . 0.589 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 53.0 t80 -126.35 -178.87 4.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -38.44 -40.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.16 -92.81 0.08 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -146.32 -142.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.574 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -86.61 138.18 31.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 mt -91.84 132.34 36.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.618 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -98.84 159.75 14.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.611 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.3 OUTLIER -64.98 165.61 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 82.95 -68.72 3.51 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.0 mmt180 -39.6 161.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 110.516 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.476 ' C ' ' H ' ' C' ' 57' ' ' SER . 39.9 p -113.44 163.35 14.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.568 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.437 ' CD1' HG21 ' C' ' 17' ' ' VAL . 70.2 mt -64.24 3.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.637 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . 0.476 ' H ' ' C ' ' C' ' 55' ' ' THR . 3.1 t -95.65 -26.02 15.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.643 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.14 18.87 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.572 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' C' ' 60' ' ' ASN . 86.5 m-85 -141.47 -9.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' C' ' 59' ' ' TYR . 10.4 t-20 76.17 10.79 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.705 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -58.65 106.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.494 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -84.54 -157.72 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.664 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -87.01 160.64 18.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.729 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 56.72 27.47 12.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.776 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -87.97 134.46 33.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.587 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 7.9 m -89.9 111.82 22.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mt -101.63 121.99 43.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -71.13 142.4 50.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.209 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . 0.737 ' C ' HD23 ' C' ' 69' ' ' LEU . 6.3 tt -134.8 121.22 20.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.599 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.64 ' N ' HD23 ' C' ' 69' ' ' LEU . 16.9 t -119.39 104.3 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.437 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.735 ' H ' HD23 ' C' ' 71' ' ' LEU . 1.8 pt? -77.54 147.21 35.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.684 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -84.22 91.59 7.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 24.0 mt 60.65 164.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -46.23 126.11 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.658 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . 0.425 ' HA2' HE22 ' C' ' 40' ' ' GLN . . . -66.6 -83.38 0.11 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 4.3 p -59.67 -27.45 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.589 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -76.34 58.74 1.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 23.3 pt -61.67 -19.86 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.597 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 44.0 m -53.81 -26.59 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.625 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 59.2 m -68.22 -52.83 29.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.537 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -64.96 -16.26 63.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.597 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.86 -70.97 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.546 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 22.4 mm -53.39 -37.29 28.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 494' ' ' GLY . 6.9 tp -57.92 -75.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.483 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -46.61 -33.76 6.39 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.4 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 8.3 tp -74.22 -30.24 62.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.492 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 491' ' ' LEU . . . -60.5 -50.25 69.61 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 9.0 tp -76.51 -26.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.491 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 498' ' ' ALA . . . -53.66 -51.38 63.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.41 ' O ' ' OG ' ' A' ' 500' ' ' SER . 63.0 m-85 -42.54 -22.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.664 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 496' ' ' ALA . . . -43.64 -35.05 1.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -96.66 57.34 1.34 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 497' ' ' PHE . 12.8 p -174.42 -82.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 110.571 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 45.8 tttp 65.38 33.75 8.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.533 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 7.9 t-20 -90.79 -169.54 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . 0.533 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 68.1 m-20 -89.99 6.28 42.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.418 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -81.57 -33.11 31.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.226 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.443 HG23 ' H ' ' A' ' 505' ' ' VAL . 2.1 t -53.35 -60.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.388 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.9 mp -75.0 -17.56 60.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.463 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -67.69 -18.14 69.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 19.6 mt -119.61 -43.81 2.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.731 0.301 . . . . 0.0 110.755 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.7 mp -67.39 -56.71 8.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.94 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.63 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 7.1 tp -45.07 -60.54 3.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.734 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.63 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -47.61 -47.46 18.09 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.474 2.116 . . . . 0.0 111.799 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.47 -17.87 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.67 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -128.75 1.33 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.625 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -131.29 -4.96 3.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 511' ' ' PRO . 3.2 t -45.47 -67.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -178.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 515' ' ' SER . 2.0 m -169.17 -57.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.523 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -159.65 59.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.633 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 95.8 mt -82.75 150.5 62.58 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.71 139.21 7.62 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.816 2.344 . . . . 0.0 111.991 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 520' ' ' ILE . 62.4 mt -75.19 -4.07 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.504 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -64.78 -41.58 95.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 524' ' ' ALA . 7.4 m -101.36 -55.49 2.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.665 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.412 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -39.99 -28.48 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.694 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 522' ' ' THR . . . -70.63 -64.79 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.515 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 36.3 mtt -46.16 -52.65 11.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -48.51 -41.52 30.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.53 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 523' ' ' ALA . 3.7 m -56.55 -36.2 69.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.487 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 21.8 mt -74.87 -16.86 60.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.568 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -76.76 -49.19 16.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.565 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.74 -35.58 81.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.557 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -61.71 -62.21 1.96 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.531 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -45.46 -44.98 12.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.539 ' C ' ' H ' ' A' ' 535' ' ' VAL . 78.2 t -73.1 -71.55 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.585 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -71.76 30.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.672 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.5 p -55.29 -40.87 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.582 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.508 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -85.1 -87.43 0.92 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 537' ' ' THR . 9.0 t -61.45 121.84 13.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 110.588 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 44.7 t -113.14 168.82 9.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.514 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.583 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 18.8 m-20 -133.65 -178.1 4.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.565 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -97.97 -53.12 1.31 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -42.03 -42.44 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.563 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 82.7 mt -54.91 -48.6 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.617 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 89.4 m -62.76 -61.54 2.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.409 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 63.6 p -44.93 -50.1 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.472 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 81.9 p -59.6 -42.29 92.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.372 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . 0.401 ' O ' ' CD1' ' A' ' 550' ' ' PHE . 0.3 OUTLIER -66.64 -30.6 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.361 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 76.9 mmm -75.76 -43.69 45.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.479 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' C' ' 72' ' ' ARG . 46.9 m-20 -53.85 -38.34 64.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.512 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -72.56 -41.83 65.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.515 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 546' ' ' ILE . 3.0 m-85 -51.17 -50.39 59.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.474 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.561 HD22 HD13 ' A' ' 591' ' ' ILE . 36.5 mt -69.41 -47.16 65.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.497 ' OE2' ' NH1' ' C' ' 72' ' ' ARG . 36.5 mt-10 -77.93 21.73 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.559 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.567 ' NH1' ' CH2' ' A' ' 562' ' ' TRP . 31.3 ttp85 -83.54 137.14 33.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.511 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.58 HG22 HD13 ' A' ' 556' ' ' ILE . 0.2 OUTLIER -104.3 -26.65 12.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.574 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 55.54 3.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.091 0.472 . . . . 0.0 109.843 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.58 HD13 HG22 ' A' ' 554' ' ' THR . 0.8 OUTLIER -60.35 -17.02 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.648 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -74.67 -75.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.625 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 22.8 mt -112.3 146.73 37.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.448 ' O ' ' OD1' ' A' ' 561' ' ' ASP . 58.5 mttm -107.54 141.99 38.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.608 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 562' ' ' TRP . 5.4 m 63.99 -77.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.683 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 559' ' ' LYS . 1.3 p-10 -56.87 83.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.67 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.567 ' CH2' ' NH1' ' A' ' 553' ' ' ARG . 64.9 p-90 -176.78 -38.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.496 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.495 ' N ' ' CD2' ' A' ' 562' ' ' TRP . 11.6 p -64.7 -23.19 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.619 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -67.46 -36.04 80.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.58 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -75.78 -63.21 1.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.8 mp -44.21 -41.24 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.628 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.4 87.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.518 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . 0.463 ' HA ' HD22 ' A' ' 568' ' ' LEU . 0.2 OUTLIER -59.16 -70.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.472 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -44.77 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.624 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 56.6 tp -43.32 -24.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -82.7 -78.86 1.03 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.4 tt -46.76 -20.35 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.621 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.413 ' N ' ' C ' ' A' ' 571' ' ' GLY . 19.5 tp -44.89 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.508 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -82.35 121.85 27.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.527 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 48.2 mtm -57.88 -16.18 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.6 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 81.6 75.58 1.11 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -155.83 50.06 0.53 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.819 0.343 . . . . 0.0 110.563 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.502 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . 174.35 138.74 2.78 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -53.42 -7.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 110.569 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.502 ' H ' ' C ' ' A' ' 578' ' ' GLY . 7.1 mm-40 -50.76 -54.34 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 98.2 t -55.86 -47.13 80.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -45.75 -39.49 8.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.48 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.26 -43.54 81.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.504 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 54.0 t -54.04 -55.5 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 19.2 mt -50.72 -44.74 58.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.496 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -52.7 -37.95 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.523 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 22.8 m -62.08 -46.49 88.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.409 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 58.7 mt -51.61 -36.62 18.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.498 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 21.6 p -83.96 -28.54 27.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -57.12 -51.07 70.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.561 HD13 HD22 ' A' ' 551' ' ' LEU . 13.4 tt -81.25 154.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.553 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.531 ' O ' ' ND1' ' A' ' 593' ' ' HIS . 30.9 tt0 -64.49 94.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.591 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.531 ' ND1' ' O ' ' A' ' 592' ' ' GLU . 9.8 m-70 -160.79 73.57 2.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.477 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -9.18 19.97 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.982 2.455 . . . . 0.0 111.956 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.437 ' C ' ' H ' ' A' ' 597' ' ' SER . 45.3 mtt -78.0 -45.12 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 68.1 p -60.82 -3.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.546 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 595' ' ' MET . 15.7 t -48.82 -30.22 5.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.543 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.9 -48.46 79.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.8 -36.56 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -56.41 -38.62 71.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 84.5 t -69.63 -40.94 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.495 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 12.5 tp -56.23 -75.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 17.3 t -52.27 -36.16 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -59.34 -48.2 87.15 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 18.6 p -54.95 -41.27 70.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 74.1 m -84.41 173.18 11.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.535 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 59.45 -153.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.586 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -56.09 151.2 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.634 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 14.5 p -82.29 -13.85 56.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.629 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 111.16 -19.33 24.99 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 9.6 m -76.28 -52.15 10.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 0.0 110.597 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.703 0 CA-C-O 118.002 -1.443 . . . . 0.0 110.883 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.8 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -88.12 115.86 25.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.621 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -118.64 155.7 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.636 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -114.61 147.01 40.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.866 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -125.31 101.14 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.19 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -87.92 134.69 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.753 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.47 ' C ' ' H ' ' B' ' 9' ' ' THR . 1.5 p -111.19 167.6 10.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.452 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.23 40.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.493 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.47 ' H ' ' C ' ' B' ' 7' ' ' THR . 22.3 p -146.07 15.25 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.47 -15.79 4.33 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' B' ' 9' ' ' THR . 72.6 tttt -69.56 133.57 47.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.677 0.275 . . . . 0.0 110.615 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -125.71 109.58 12.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -90.37 127.42 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.683 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -99.15 120.72 39.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.302 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.7 mt -128.65 139.12 52.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.803 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -88.37 124.65 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.296 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -143.8 -164.76 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.707 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' B' ' 21' ' ' ASP . 23.0 mt-10 -149.15 152.56 36.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.461 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.1 -49.61 9.79 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.991 2.461 . . . . 0.0 112.25 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.445 ' O ' ' C ' ' B' ' 21' ' ' ASP . 0.9 OUTLIER -56.83 -42.76 80.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.932 -179.689 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' B' ' 18' ' ' GLU . 6.7 m-20 -35.83 142.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.79 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.7 p -97.26 146.66 24.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.6 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 20.0 mm -47.59 -54.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.365 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -45.95 -42.93 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.364 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.475 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 25.0 t-20 -59.98 -47.51 85.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.249 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.4 t -55.98 -52.21 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.228 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -51.67 -31.87 27.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.16 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -68.16 -43.13 78.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.301 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -62.19 -37.54 85.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.399 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 6.3 mt -69.36 -40.37 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.378 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -61.01 -35.9 78.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.495 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -72.01 -35.06 69.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.516 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -71.12 -62.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.472 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -88.5 -108.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.498 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.2 9.59 0.05 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 15.0 mt -83.24 118.11 70.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.704 0.288 . . . . 0.0 110.499 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -72.62 144.89 40.72 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.613 2.209 . . . . 0.0 111.973 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.635 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.16 -49.93 10.73 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.782 2.321 . . . . 0.0 111.909 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -59.35 9.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.635 ' H ' ' C ' ' B' ' 38' ' ' PRO . 78.4 mm-40 -143.44 54.7 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -151.0 164.44 36.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.58 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.455 ' HE ' ' CD ' ' B' ' 49' ' ' GLN . 58.9 ttt180 -157.29 90.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.535 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.1 mt -78.87 116.63 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.559 HD12 HG21 ' B' ' 70' ' ' VAL . 12.9 mt -118.5 138.41 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -136.46 132.53 35.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.475 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.24 17.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.447 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.24 -11.77 68.75 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.46 ' NZ ' ' C ' ' C' ' 75' ' ' GLY . 31.0 mttm -88.0 120.24 29.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.527 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.455 ' CD ' ' HE ' ' B' ' 42' ' ' ARG . 47.2 tt0 -75.43 125.82 29.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.564 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.404 HD22 ' CG ' ' B' ' 59' ' ' TYR . 20.3 mt -82.76 128.96 34.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -92.41 159.73 15.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.572 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.73 161.67 30.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.555 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 83.75 -57.21 5.06 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' B' ' 53' ' ' GLY . 13.9 mmt180 -43.9 169.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 0.0 110.624 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 56.1 p -115.39 160.9 19.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.711 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.2 -8.91 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.7 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -91.42 -13.83 31.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.641 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -86.3 7.59 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.404 ' CG ' HD22 ' B' ' 50' ' ' LEU . 66.6 m-85 -133.72 5.37 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.549 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 65.11 11.61 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.712 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.91 96.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.422 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -81.09 -171.05 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.693 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -74.37 158.63 33.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 57.53 40.53 26.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.885 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 73.6 m -94.14 154.03 17.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.296 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -109.7 92.33 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.566 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.71 121.13 24.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.6 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -79.78 103.37 9.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.1 tp -80.73 91.7 5.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.465 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.559 HG21 HD12 ' B' ' 44' ' ' ILE . 2.4 t -95.7 154.31 3.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.612 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.555 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.9 mm? -94.52 139.46 31.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.491 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -94.48 161.38 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.523 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -51.43 121.46 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.531 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -45.46 99.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.462 ' H ' HE22 ' B' ' 40' ' ' GLN . . . -169.99 -118.02 0.44 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.71 0 CA-C-O 118.056 -1.413 . . . . 0.0 110.964 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.464 ' N ' ' O ' ' C' ' 17' ' ' VAL . 29.4 ttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -121.48 115.68 23.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 pt -116.77 154.96 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.743 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.434 ' O ' HD12 ' C' ' 67' ' ' LEU . 86.9 m-85 -110.25 141.84 42.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.506 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 69.6 t -119.88 114.0 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.433 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -94.39 134.29 37.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.575 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 59.2 p -94.54 142.27 27.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.535 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.597 ' O ' HD23 ' C' ' 8' ' ' LEU . 0.8 OUTLIER -55.54 -24.69 33.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.517 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 75.9 p -71.32 -64.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.43 72.73 0.01 OUTLIER Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -172.83 132.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.612 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -104.27 152.72 21.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.483 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.401 HD13 HG21 ' C' ' 13' ' ' ILE . 4.1 mt -137.03 130.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.703 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 9.3 m -93.27 121.06 34.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.304 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.3 mt -123.91 128.51 49.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -89.13 118.5 28.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.152 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.48 HG21 ' CD1' ' C' ' 56' ' ' LEU . 10.3 m -144.6 -174.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.619 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 4.1 mt-10 -129.5 145.21 55.96 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.375 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.26 -15.66 0.19 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.848 2.366 . . . . 0.0 112.362 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 8.5 t -96.57 -19.35 19.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.312 . . . . 0.0 110.826 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.619 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 1.0 OUTLIER -43.09 136.36 2.86 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 172.174 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.0 p -89.68 141.52 28.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.49 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mm -42.66 -57.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.621 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -46.8 -40.15 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -62.02 -43.34 99.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.329 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.1 -47.57 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.161 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -53.19 -41.76 65.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.214 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.71 84.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.34 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -55.29 -39.07 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.299 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.8 mt -66.37 -42.42 90.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.391 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -57.58 -36.72 72.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.44 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -71.07 -35.27 71.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -68.76 -56.27 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.548 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -96.65 -82.31 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.82 32.37 0.03 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 30.4 mt -103.0 114.14 65.43 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.656 0.265 . . . . 0.0 110.528 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -46.31 136.27 15.05 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.6 2.2 . . . . 0.0 111.734 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.23 -63.42 0.33 Allowed 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.793 2.329 . . . . 0.0 112.006 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -39.64 -35.35 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -94.97 59.84 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.707 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 59.9 mt-30 -157.02 134.11 10.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.584 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -126.96 108.27 10.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.427 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 27.4 mt -99.44 120.87 40.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.759 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 90.5 mt -122.12 129.51 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.406 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . 0.59 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 52.6 t80 -117.12 165.84 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.555 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . 0.59 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -40.14 -40.85 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.75 -67.63 2.0 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -173.7 -160.7 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.501 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -80.23 128.34 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.5 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . 0.443 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 10.8 mt -79.85 115.66 19.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.557 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -82.96 158.99 22.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.16 104.8 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.546 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 144.95 -67.47 0.42 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' C' ' 53' ' ' GLY . 10.0 mmt85 -44.63 173.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.725 0.297 . . . . 0.0 110.597 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.491 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 72.9 p -115.68 172.4 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.536 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.48 ' CD1' HG21 ' C' ' 17' ' ' VAL . 56.2 mt -70.91 2.49 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.781 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . 0.491 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 23.1 p -93.42 -27.46 16.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.789 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.07 -1.39 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.679 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.443 ' CD2' ' CD2' ' C' ' 50' ' ' LEU . 61.1 m-85 -122.15 13.45 10.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.527 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 47.63 37.56 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.709 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 70.0 mt -84.82 98.17 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.487 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -79.39 -159.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -86.77 159.77 19.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.689 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 57.29 33.51 23.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.712 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m -97.74 131.74 43.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.609 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 9.2 m -91.91 128.57 37.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . 0.456 HD12 ' N ' ' C' ' 67' ' ' LEU . 5.6 mp -107.34 172.06 7.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.606 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -119.57 102.31 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.394 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 46.6 tp -93.3 132.61 37.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.453 ' C ' HD12 ' C' ' 71' ' ' LEU . 9.5 t -134.16 133.97 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.518 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.71 HD12 ' N ' ' C' ' 71' ' ' LEU . 7.2 mp -92.93 128.41 38.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.491 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . 0.497 ' NH1' ' OE2' ' A' ' 552' ' ' GLU . 8.3 ttt85 -41.96 -39.57 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.366 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 56.0 tp 179.74 149.11 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.363 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -41.18 131.11 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.521 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . 0.46 ' C ' ' NZ ' ' B' ' 48' ' ' LYS . . . -173.87 -84.55 0.06 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.656 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 483' ' ' THR . 1.1 t -80.23 155.45 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 486' ' ' SER . 20.7 pttp -170.32 8.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.9 pt -49.22 -17.47 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 484' ' ' LYS . 65.4 p -63.11 -53.49 52.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.497 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 4.4 m -45.62 -55.77 5.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.588 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -50.41 -46.27 56.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.612 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -52.54 -65.57 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 13.0 mm -49.21 -39.67 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.543 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.499 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.9 tt -53.1 -69.12 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.527 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -57.35 -57.18 21.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.542 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 5.4 tp -44.01 -43.07 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.603 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -56.31 -51.2 57.6 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 25.0 pt -84.58 13.62 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 110.655 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -93.96 -60.26 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.576 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 47.7 p90 -85.45 23.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -52.49 -67.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -91.79 88.43 1.36 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 55.2 m -160.07 -54.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.541 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.526 ' HZ2' HG21 ' A' ' 537' ' ' THR . 23.3 mmtp 50.15 74.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.587 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.421 ' C ' ' H ' ' A' ' 504' ' ' GLU . 4.6 m-20 -122.93 149.12 44.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.51 -2.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 502' ' ' ASN . 9.6 tp10 -84.66 -48.55 9.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.243 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 23.4 t -51.8 -57.35 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.35 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 534' ' ' PHE . 24.4 mt -70.07 -25.26 63.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.616 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.84 -18.1 61.52 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.7 mp -117.83 -39.04 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.737 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 510' ' ' LEU . 7.7 mp -68.18 -65.28 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.946 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.582 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 56.2 tp -38.98 -60.75 1.08 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.958 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.582 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.92 -59.8 1.11 Allowed 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.419 2.079 . . . . 0.0 111.644 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.512 ' O ' HG22 ' A' ' 512' ' ' ILE . 83.7 mt -53.36 -9.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.548 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.446 ' H ' ' C ' ' A' ' 511' ' ' PRO . . . -130.48 13.78 5.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.794 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -172.49 28.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.535 ' OG ' HD12 ' A' ' 518' ' ' LEU . 87.7 p -70.49 -60.17 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.36 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 515' ' ' SER . 1.3 m -170.74 -45.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.529 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.523 ' O ' ' NH2' ' B' ' 72' ' ' ARG . 27.4 t70 -171.31 27.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.641 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.535 HD12 ' OG ' ' A' ' 515' ' ' SER . 29.5 mt -53.97 154.47 7.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.435 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -43.82 159.78 0.09 OUTLIER 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.847 2.365 . . . . 0.0 112.049 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 520' ' ' ILE . 5.5 mt -83.76 -35.5 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -45.48 -81.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.761 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . 0.575 HG23 ' N ' ' A' ' 523' ' ' ALA . 7.9 t -44.98 -47.79 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.787 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.575 ' N ' HG23 ' A' ' 522' ' ' THR . . . -55.2 -70.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.649 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 523' ' ' ALA . . . -35.52 -68.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.743 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 22.1 mmt -47.67 -54.39 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.679 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 528' ' ' LEU . . . -50.95 -68.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.576 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.0 m -40.76 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.686 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.52 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.1 tt -70.31 -51.01 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -68.3 -42.28 79.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.473 HD23 ' C ' ' A' ' 530' ' ' LEU . 1.7 tt -49.62 -61.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.568 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 533' ' ' VAL . . . -59.14 -47.88 83.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . 0.411 ' ND1' ' O ' ' A' ' 532' ' ' HIS . 37.5 t-80 -40.46 -29.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.686 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 531' ' ' ALA . 53.3 t -97.17 -46.0 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 506' ' ' LEU . 20.1 m-85 -87.23 34.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.583 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.457 HG23 ' H ' ' A' ' 535' ' ' VAL . 0.2 OUTLIER -47.74 -49.48 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.758 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 537' ' ' THR . . . -115.95 -25.69 3.52 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.526 HG21 ' HZ2' ' A' ' 501' ' ' LYS . 0.2 OUTLIER -53.38 -166.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 110.619 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.452 ' H ' HG22 ' A' ' 537' ' ' THR . 71.0 m -38.69 124.24 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.592 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.513 ' ND2' ' CE1' ' A' ' 574' ' ' TYR . 49.8 t-20 -140.95 36.58 1.76 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.633 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -99.5 -72.31 1.02 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.33 -40.54 94.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 538' ' ' CYS . 52.8 mt -50.99 -43.68 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 17.0 m -64.05 -62.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.49 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 69.0 p -45.36 -34.75 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.587 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . 0.475 ' OG ' HD11 ' A' ' 510' ' ' LEU . 0.1 OUTLIER -74.13 -58.95 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.153 179.686 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . 0.443 ' N ' ' OG ' ' A' ' 545' ' ' SER . 0.1 OUTLIER -47.42 -28.17 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.317 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.0 tpt -72.5 -47.54 47.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.459 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -48.62 -42.5 34.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.312 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 553' ' ' ARG . 0.6 OUTLIER -66.86 -43.05 84.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.558 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -52.67 -55.48 22.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.404 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 54.2 mt -50.37 -64.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 552' ' ' GLU . 0.3 OUTLIER -55.81 -38.13 69.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.397 179.758 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.636 ' O ' HG23 ' A' ' 554' ' ' THR . 21.7 ttm-85 43.94 -133.55 0.63 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -173.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.671 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 165.06 -74.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.985 -179.839 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 32.36 29.78 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.241 0.543 . . . . 0.0 109.572 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.671 ' N ' ' O ' ' A' ' 554' ' ' THR . 3.0 tp -109.96 11.36 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.793 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -125.12 -50.51 1.68 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.561 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 39.1 mt -119.81 179.6 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.612 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -168.54 52.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.531 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 561' ' ' ASP . 39.8 p -153.07 122.63 6.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' A' ' 560' ' ' THR . 31.8 m-20 47.87 98.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.507 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.432 ' O ' ' N ' ' A' ' 564' ' ' ARG . 27.1 t90 -160.88 -67.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.522 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 92.5 t -44.29 -21.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.604 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 562' ' ' TRP . 34.9 ttt85 -67.39 -75.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -50.79 -37.81 44.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.56 -70.38 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -46.63 -40.07 12.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 568' ' ' LEU . 1.4 tt -53.47 -62.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -45.27 -70.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.562 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 52.9 tp -45.77 -24.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -82.75 -77.58 1.08 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 14.4 tt -47.95 -22.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.494 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 21.0 tp -43.83 -56.66 3.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.53 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.513 ' CE1' ' ND2' ' A' ' 539' ' ' ASN . 71.9 m-85 -90.14 128.98 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.561 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 50.6 mtt -44.7 -51.51 9.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.621 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 161.46 -65.65 0.26 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -74.5 127.95 34.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.801 0.334 . . . . 0.0 110.579 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 155.91 102.89 0.2 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -46.46 -15.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.54 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 578' ' ' GLY . 9.5 tt0 -51.04 -49.81 59.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.561 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 72.3 t -55.7 -44.41 76.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.461 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -49.72 -33.57 16.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.519 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -74.21 -37.32 63.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.498 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.85 -50.95 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.463 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 43.8 mt -59.14 -35.93 74.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.415 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -60.26 -41.64 93.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.484 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 590' ' ' ALA . 4.8 m -59.22 -57.08 14.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.439 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 61.9 mt -45.9 -34.08 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.364 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 4.1 t -77.91 -34.08 51.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.394 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -52.05 -31.41 29.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.456 ' O ' ' O ' ' A' ' 592' ' ' GLU . 7.6 pt -114.18 141.4 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.523 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' A' ' 591' ' ' ILE . 93.0 mt-10 -49.73 -103.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.656 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 66.7 m80 42.31 75.19 0.65 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.625 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.29 16.83 0.67 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.915 2.41 . . . . 0.0 111.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 28.7 mtt -85.26 -39.85 17.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.626 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 17.3 p -75.2 -3.31 32.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 28.9 t -42.62 -26.74 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.14 -58.04 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.623 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.22 -26.15 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -67.86 -46.34 72.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 64.4 t -68.11 -56.71 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.554 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 602' ' ' LEU . 29.7 mt -47.08 -72.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 85.4 t -53.95 -30.87 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.464 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.71 -39.97 98.15 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 47.1 t -69.26 -68.54 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.332 . . . . 0.0 110.6 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.31 120.0 25.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.623 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -172.04 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.626 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -65.21 -165.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 59.7 p -57.4 155.8 8.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -164.35 -44.44 0.02 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 3.7 t -166.93 40.58 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 110.57 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.766 0 CA-C-O 118.015 -1.436 . . . . 0.0 110.935 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttp . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -89.73 124.92 35.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.61 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 7.1 pt -127.98 144.12 38.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.588 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.436 ' CE1' ' OG1' ' B' ' 14' ' ' THR . 79.0 m-85 -99.54 142.22 31.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.746 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.6 t -126.24 111.92 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.375 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -90.73 125.09 35.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.9 p -84.24 145.91 28.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.455 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 tp -71.57 47.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 45.6 p -147.68 -46.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.0 63.43 0.03 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -170.18 127.62 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.808 0.337 . . . . 0.0 110.582 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -100.74 157.23 16.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.52 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -142.2 132.31 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.436 ' OG1' ' CE1' ' B' ' 4' ' ' PHE . 66.4 m -99.4 129.08 45.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.414 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.9 mt -129.19 133.91 47.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -91.1 96.9 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.43 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.3 m -119.84 -165.49 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.67 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.511 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 31.5 mt-10 -149.04 148.59 27.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.251 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.77 -17.4 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.83 2.353 . . . . 0.0 112.182 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.12 17.27 18.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 1.4 m-20 -93.22 131.33 38.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.488 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.418 ' O ' ' N ' ' B' ' 25' ' ' ASN . 2.4 p -80.23 134.92 36.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.5 mm -41.3 -53.23 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.375 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -49.29 -39.05 29.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.367 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.542 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 8.0 t-20 -63.12 -43.0 99.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.33 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 26.3 t -61.71 -52.06 65.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.197 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -50.31 -40.25 48.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.268 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.99 90.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.261 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.542 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 53.2 mttp -56.31 -39.22 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.274 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.7 mt -66.47 -43.77 90.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.425 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.6 -27.98 65.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.522 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -80.6 -28.38 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.574 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -78.49 -58.67 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.562 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -91.47 -102.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.615 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.71 7.72 0.03 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.42 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 37.3 mt -82.54 125.89 75.01 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.608 0.242 . . . . 0.0 110.568 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.92 145.7 36.36 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.734 2.289 . . . . 0.0 111.971 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.509 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.0 -65.55 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.871 2.381 . . . . 0.0 111.999 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' B' ' 38' ' ' PRO . 32.8 t0 -37.21 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.746 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' B' ' 38' ' ' PRO . 76.9 mm-40 -105.44 59.93 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -156.16 159.52 39.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.415 ' NE ' ' O ' ' B' ' 72' ' ' ARG . 23.5 ttm180 -160.36 94.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 mt -79.58 120.3 23.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.662 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.406 HD12 HG21 ' B' ' 70' ' ' VAL . 5.5 mt -120.82 130.51 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.494 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -121.97 117.82 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.538 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.07 26.93 5.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.19 -14.48 65.12 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.454 ' NZ ' ' C ' ' C' ' 75' ' ' GLY . 41.3 mttm -79.87 105.14 10.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 0.0 110.61 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.421 ' OE1' ' O ' ' B' ' 50' ' ' LEU . 0.5 OUTLIER -71.67 120.67 17.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.458 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.472 ' CD2' ' CD2' ' B' ' 59' ' ' TYR . 20.8 mt -81.69 115.18 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.641 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -81.8 157.92 24.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.479 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -70.65 145.14 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.525 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 103.19 -67.38 0.33 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.443 ' HG2' ' H ' ' B' ' 54' ' ' ARG . 3.0 mmt-85 -44.22 170.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.6 p -112.47 163.96 13.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 56.7 mt -61.81 -18.06 58.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.629 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.522 ' C ' ' H ' ' B' ' 59' ' ' TYR . 11.0 t -72.06 -34.99 69.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.606 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.44 ' C ' ' CD1' ' B' ' 59' ' ' TYR . 6.6 m-20 -73.16 28.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.584 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.522 ' H ' ' C ' ' B' ' 57' ' ' SER . 81.4 m-85 -151.79 -4.52 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.525 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 65.29 23.46 12.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.0 94.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.446 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.28 -159.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.657 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -83.41 160.18 21.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.737 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 58.5 35.35 24.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.736 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.3 m -89.66 134.99 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.478 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -94.16 95.32 8.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.497 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.07 126.19 32.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.62 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -84.78 100.02 11.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.423 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.9 97.89 8.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.406 HG21 HD12 ' B' ' 44' ' ' ILE . 3.4 t -96.39 143.26 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.501 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 17.5 mt -96.98 81.08 3.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.565 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.523 ' NH2' ' O ' ' A' ' 517' ' ' ASP . 0.0 OUTLIER -164.84 111.7 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.543 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' B' ' 74' ' ' ARG . 17.4 tp -160.55 110.66 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.497 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' B' ' 73' ' ' LEU . 53.0 mtt180 -49.11 179.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.542 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.05 -103.02 2.95 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.745 0 CA-C-O 117.94 -1.478 . . . . 0.0 110.994 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -104.48 103.17 12.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.9 pt -94.97 158.86 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -120.29 145.15 47.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.776 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 53.5 t -121.79 108.16 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.365 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -89.79 120.64 31.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.583 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 43.1 p -77.78 156.42 30.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.608 ' O ' HD23 ' C' ' 8' ' ' LEU . 0.9 OUTLIER -66.54 -38.71 87.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.515 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 43.3 p -60.32 -68.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.649 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.0 83.09 0.05 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -172.5 165.69 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.506 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 8.2 m -141.35 130.89 23.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -118.49 128.27 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.662 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 7.1 m -101.95 125.5 48.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.423 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -128.96 139.45 52.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.732 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -88.07 94.29 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.398 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -114.37 -179.57 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.801 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.502 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.2 mt-10 -127.14 174.42 4.27 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.204 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.21 -22.11 14.79 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.761 2.308 . . . . 0.0 112.029 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 2.1 p -91.32 -9.51 44.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.53 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 18.9 m-20 -61.64 137.33 58.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.574 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 71.4 p -89.94 142.08 28.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.586 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mm -43.7 -54.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.423 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -45.23 -45.68 11.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 19.4 t-20 -58.93 -45.87 89.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.36 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.61 -53.04 46.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.247 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -50.43 -36.27 32.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.16 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -64.29 -43.41 94.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.397 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -61.57 -37.64 84.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.522 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.3 mt -67.3 -41.3 86.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.439 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.68 -38.65 85.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.57 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -71.58 -23.37 61.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -80.89 -58.31 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -96.8 -86.36 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.58 20.06 0.03 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.532 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 54.4 mt -87.37 116.52 66.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.71 0.29 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -46.88 135.37 17.66 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.654 2.236 . . . . 0.0 111.818 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.7 -61.9 0.53 Allowed 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.684 2.256 . . . . 0.0 112.008 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -39.66 -34.17 0.23 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.765 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -99.75 63.94 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.714 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 74.5 mt-30 -151.9 89.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.639 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -88.5 108.83 19.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.333 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -102.63 131.64 49.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 41.8 mt -129.29 132.23 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.245 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' C' ' 47' ' ' GLY . 50.1 t80 -101.45 70.21 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.755 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' C' ' 45' ' ' PHE . . . 31.31 35.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.782 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -160.16 -55.74 0.01 OUTLIER Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 50.7 mttm -155.74 176.85 12.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.643 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -86.59 157.44 19.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.619 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 19.6 mt -100.16 116.64 32.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.515 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -81.79 148.89 28.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.544 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -66.03 147.95 52.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.579 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 97.88 -61.32 0.97 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.644 ' HE ' ' N ' ' C' ' 54' ' ' ARG . 4.7 mmp_? -45.11 171.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 0.0 110.567 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.498 ' HG1' ' HG ' ' C' ' 57' ' ' SER . 33.9 p -115.84 165.47 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 83.9 mt -69.68 -4.71 20.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.652 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . 0.498 ' HG ' ' HG1' ' C' ' 55' ' ' THR . 5.4 p -91.89 -16.52 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.54 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.49 -10.46 59.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.57 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -110.87 6.66 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.55 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 60.02 25.46 14.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.625 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.9 mt -73.11 117.37 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.442 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -95.09 -161.25 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -85.26 154.8 21.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 60.92 27.05 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.71 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -92.66 132.46 36.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -82.26 152.35 26.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.597 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mt -139.6 114.68 9.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.586 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -67.6 116.2 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.513 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 38.0 tp -106.05 128.76 54.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.617 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 t -133.03 119.52 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.441 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.577 ' O ' HD12 ' C' ' 71' ' ' LEU . 0.3 OUTLIER -92.85 166.89 12.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -100.51 83.99 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.402 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . 0.561 HD12 ' N ' ' C' ' 73' ' ' LEU . 10.1 mp 56.75 170.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.477 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -40.14 156.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.486 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . 0.454 ' C ' ' NZ ' ' B' ' 48' ' ' LYS . . . -153.63 -123.9 0.95 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 77.5 p -61.99 109.17 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.619 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -168.24 -39.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.575 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 19.6 pt -63.56 -11.32 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.598 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 3.6 t -51.49 -40.16 58.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.603 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 5.9 m -45.17 -60.5 2.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.638 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -57.13 -44.75 83.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -53.98 -71.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.61 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 21.2 mm -54.27 -50.28 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 24.4 tp -43.25 -54.35 4.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -52.25 -67.82 1.87 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 493' ' ' LEU . 10.4 mp -52.27 -22.24 4.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.767 0.318 . . . . 0.0 110.548 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 496' ' ' ALA . . . -60.4 -79.2 0.12 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 25.6 pt -58.09 -4.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 110.602 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.447 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -76.31 -54.01 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 42.8 m-85 -46.51 -35.4 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.526 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -51.81 -10.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -55.14 -60.68 8.38 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 31.2 t -158.86 -108.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.585 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -170.01 76.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.523 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -80.38 -175.45 5.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.625 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -103.75 2.29 32.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.554 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.28 -38.38 20.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.111 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.455 ' H ' HG23 ' A' ' 505' ' ' VAL . 2.7 t -43.11 -59.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.408 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.401 HD21 ' CE1' ' A' ' 534' ' ' PHE . 15.1 mt -73.71 -31.14 63.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.539 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -71.21 5.96 8.21 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.6 tp -136.08 -47.03 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 110.765 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.08 -53.97 17.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.901 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 514' ' ' ALA . 0.7 OUTLIER -48.26 -60.44 4.41 Favored Pre-proline 0 C--N 1.33 -0.273 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.535 -179.795 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.41 -51.74 8.36 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.56 2.173 . . . . 0.0 111.754 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.466 ' O ' HG22 ' A' ' 512' ' ' ILE . 96.7 mt -60.29 -12.8 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.483 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -141.14 30.73 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -155.06 -35.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.724 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 514' ' ' ALA . 87.3 p -30.42 -61.79 0.16 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.655 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 515' ' ' SER . 54.1 m -170.04 -52.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.543 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.435 ' O ' ' O ' ' A' ' 518' ' ' LEU . 57.9 m-20 -144.51 -84.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.473 HD11 ' OG ' ' A' ' 515' ' ' SER . 16.4 mt 59.18 148.23 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.434 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.74 123.08 4.53 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.828 2.352 . . . . 0.0 111.904 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 62.1 mt -72.39 -21.93 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.526 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -58.96 -48.73 80.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.558 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 68.4 p -79.66 -44.57 20.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.604 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -59.68 -10.95 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.553 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.39 -62.23 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 66.7 mtt -62.23 -41.63 98.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -54.85 -57.22 12.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 87.8 p -52.76 -33.92 50.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 528' ' ' LEU . 0.2 OUTLIER -55.03 -62.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.474 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -51.38 -25.36 6.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 530' ' ' LEU . 1.5 tt -64.48 -63.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -57.72 -44.11 85.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.459 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . 0.519 ' HD1' ' C ' ' A' ' 532' ' ' HIS . 6.1 t-80 -45.82 -40.95 10.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.488 ' C ' ' H ' ' A' ' 535' ' ' VAL . 90.5 t -78.64 -58.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.557 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . 0.401 ' CE1' HD21 ' A' ' 506' ' ' LEU . 29.7 m-85 -72.08 16.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.561 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 536' ' ' GLY . 10.8 p -53.16 -42.72 47.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.547 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.539 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -70.83 -69.86 1.31 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.537 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 2.2 t -64.24 -170.79 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.828 0.347 . . . . 0.0 110.559 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.537 ' N ' ' OG1' ' A' ' 537' ' ' THR . 42.8 t -166.48 157.32 12.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 41.0 m-80 -161.61 141.53 10.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.24 -42.99 93.91 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -42.66 -48.36 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.579 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 38.3 mt -59.9 -43.13 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.523 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 51.9 m -62.53 -49.94 73.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 548' ' ' ASP . 72.2 p -57.74 -43.46 85.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.435 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 24.2 p -63.95 -42.5 97.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.16 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.81 -29.84 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.301 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.4 tpt -70.92 -38.52 72.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.429 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 544' ' ' THR . 5.8 m-20 -63.2 -41.13 99.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.41 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -63.46 -36.24 83.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.581 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . 0.537 ' CE1' HD21 ' A' ' 566' ' ' LEU . 3.3 m-85 -60.07 -54.47 45.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.495 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.3 -36.93 82.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.691 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -82.29 29.37 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.569 HH12 ' CG ' ' A' ' 595' ' ' MET . 32.5 ptt180 -76.08 135.86 39.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.539 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.614 ' C ' ' H ' ' A' ' 556' ' ' ILE . 41.0 p -109.29 141.97 40.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -69.06 27.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.203 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.614 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.5 OUTLIER -75.75 -23.82 16.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.614 -179.828 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -74.12 -95.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.66 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 560' ' ' THR . 9.4 mt 60.98 170.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.525 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 45.2 mttp 57.04 -83.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.614 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 558' ' ' LEU . 15.0 t -64.34 150.66 45.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.587 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -81.72 167.05 19.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.408 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 9.4 p-90 -172.84 -19.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.7 p -72.92 -18.46 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.534 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -60.11 -66.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.535 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -63.95 -52.3 60.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.537 HD21 ' CE1' ' A' ' 550' ' ' PHE . 4.3 tp -45.93 -56.43 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -57.96 -53.0 63.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.495 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 25.9 tp -45.32 -54.29 7.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.48 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -46.87 -62.47 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 54.3 tp -50.34 -27.9 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.503 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -76.12 -76.74 0.79 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . 0.404 ' C ' ' N ' ' A' ' 574' ' ' TYR . 8.6 tp -43.77 -33.37 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.348 . . . . 0.0 110.566 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.9 tp -44.31 -23.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.404 ' N ' ' C ' ' A' ' 572' ' ' ILE . 75.1 m-85 -125.36 125.82 44.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.2 mtt -79.03 -102.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -83.77 -110.53 0.56 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 50.0 -163.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.811 0.338 . . . . 0.0 110.618 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.43 ' O ' ' OD1' ' A' ' 582' ' ' ASP . . . 174.1 -53.77 0.14 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -47.39 -50.61 22.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.579 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.59 -55.08 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 89.8 t -53.93 -49.22 60.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.604 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 578' ' ' GLY . 3.6 m-20 -45.07 -38.23 4.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.587 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -70.35 -43.33 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.584 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 92.3 t -52.95 -58.91 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.497 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 585' ' ' LEU . 10.7 mp -53.42 -46.87 69.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.473 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -48.64 -28.99 3.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.435 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 14.6 m -76.66 -41.59 45.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.513 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.19 -34.43 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.548 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.1 m -77.02 -33.99 57.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' C' ' 47' ' ' GLY . . . -58.45 -61.4 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.563 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 18.8 tt -80.58 165.4 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -40.46 144.46 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.683 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.502 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 6.9 p-80 -165.73 74.65 1.31 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 -66.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 123.036 2.491 . . . . 0.0 111.94 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.569 ' CG ' HH12 ' A' ' 553' ' ' ARG . 10.6 ptp -83.25 -42.5 17.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.565 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.418 HG23 HH22 ' A' ' 553' ' ' ARG . 66.7 p -49.33 -14.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.548 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 595' ' ' MET . 94.3 p -55.61 -24.4 33.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.569 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.38 -33.75 76.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.527 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 13.4 mt -77.26 -56.34 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.413 ' O ' ' OE2' ' A' ' 600' ' ' GLU . 3.1 tm-20 -45.71 -40.25 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.632 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 597' ' ' SER . 70.4 t -70.48 -43.95 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.568 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.01 -74.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.57 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 76.0 t -52.59 -19.9 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.553 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.26 -54.87 32.83 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 68.7 m -72.41 -58.03 3.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.578 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 27.4 p -79.03 121.25 24.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 608' ' ' TYR . . . -175.0 -67.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.608 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 610' ' ' GLY . 14.4 m-85 -59.5 -147.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 58.3 p -48.24 88.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.606 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 608' ' ' TYR . . . -86.94 -99.42 0.83 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 19.6 p 46.84 75.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.543 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.753 0 CA-C-O 118.015 -1.436 . . . . 0.0 110.925 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.411 ' N ' ' O ' ' B' ' 17' ' ' VAL . 22.8 ttp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -93.66 117.85 30.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.698 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.499 HG12 HG22 ' B' ' 17' ' ' VAL . 6.2 pt -126.42 153.64 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.561 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -111.2 154.39 24.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 54.1 t -131.35 103.51 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.193 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -86.3 121.11 28.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.681 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.0 p -89.02 151.37 22.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.352 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.415 HD21 ' CG1' ' A' ' 512' ' ' ILE . 2.6 tp -70.78 50.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.5 p -146.33 -37.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.461 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.96 -12.75 3.62 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -87.19 137.28 32.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.601 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -123.51 124.79 43.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -96.29 173.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.687 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.504 ' C ' HD12 ' B' ' 15' ' ' LEU . 11.5 m -143.94 101.62 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.337 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.504 HD12 ' C ' ' B' ' 14' ' ' THR . 8.6 mp -105.17 137.97 42.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.855 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -94.7 83.04 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.267 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.541 HG21 HD13 ' B' ' 56' ' ' LEU . 10.9 m -99.78 -165.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.536 ' C ' ' H ' ' B' ' 20' ' ' SER . 38.6 mt-10 -145.68 145.22 24.8 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.3 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.68 -7.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.826 2.351 . . . . 0.0 112.277 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.536 ' H ' ' C ' ' B' ' 18' ' ' GLU . 1.4 p -97.74 -39.85 8.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.791 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.419 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 5.9 m-20 -41.23 146.13 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.676 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.514 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.9 p -93.73 145.41 24.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.558 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.7 mm -47.0 -53.33 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.533 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -48.24 -44.63 33.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.442 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -59.2 -40.14 84.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.355 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.14 -47.33 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.272 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -54.92 -35.84 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.347 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.14 -50.38 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.45 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -55.33 -34.61 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.492 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 14.8 mt -70.74 -49.79 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.401 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' B' ' 31' ' ' GLN . 0.7 OUTLIER -53.97 -26.51 26.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.449 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -81.26 -36.02 30.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -70.96 -58.72 3.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -85.65 -86.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.522 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.402 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 162.26 5.46 0.05 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.402 ' H ' ' H ' ' B' ' 35' ' ' GLY . 37.6 mt -79.42 133.28 60.19 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.7 0.286 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.34 143.0 34.39 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.579 2.186 . . . . 0.0 111.948 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.24 -67.4 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.844 2.363 . . . . 0.0 112.024 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -43.07 -19.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.661 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' B' ' 38' ' ' PRO . 32.0 mm-40 -109.21 57.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.643 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -155.64 163.82 39.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.487 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -159.64 93.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.98 126.83 31.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.57 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mt -130.44 131.79 65.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.508 ' O ' ' HB3' ' B' ' 46' ' ' ALA . 90.9 t80 -139.94 122.87 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.471 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 69.19 48.23 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.33 43.08 51.21 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.465 ' CB ' ' NZ ' ' B' ' 48' ' ' LYS . 4.9 ttpm? -152.69 128.25 10.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.786 0.327 . . . . 0.0 110.571 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.587 ' NE2' ' NH1' ' B' ' 72' ' ' ARG . 12.1 tt0 -77.82 143.53 37.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.7 mt -93.91 126.63 39.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.638 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -84.15 158.23 21.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.6 158.37 29.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.505 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.85 -60.18 4.2 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.436 ' H ' ' HG2' ' B' ' 54' ' ' ARG . 7.4 mmt-85 -47.06 167.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.535 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.514 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 44.7 p -106.92 173.69 6.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.51 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.541 HD13 HG21 ' B' ' 17' ' ' VAL . 61.4 mt -75.96 1.91 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.0 t -95.67 -42.92 8.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.547 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.88 -35.08 22.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.499 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -90.22 -8.27 51.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' B' ' 60' ' ' ASN . 0.8 OUTLIER 68.37 41.61 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.712 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 80.9 mt -80.65 103.2 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.372 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.407 HE21 ' C ' ' B' ' 60' ' ' ASN . 16.0 mm-40 -78.2 -163.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -86.48 160.74 18.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.796 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 60.53 37.34 19.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.816 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -94.73 134.74 36.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.436 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -91.8 86.93 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.431 ' N ' HD12 ' B' ' 67' ' ' LEU . 9.8 mp -69.5 112.13 5.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -75.96 101.13 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.493 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 tp -84.37 94.46 8.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.393 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.57 ' C ' HD12 ' B' ' 71' ' ' LEU . 1.9 t -98.21 149.89 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.57 HD12 ' C ' ' B' ' 70' ' ' VAL . 10.2 mp -111.8 72.39 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.487 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.587 ' NH1' ' NE2' ' B' ' 49' ' ' GLN . 18.8 mtm180 -70.03 174.4 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.611 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 22.9 mt 57.15 172.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.594 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.406 ' H ' ' H ' ' B' ' 75' ' ' GLY . 30.1 ptt180 -167.53 1.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.551 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.406 ' H ' ' H ' ' B' ' 74' ' ' ARG . . . 64.84 -85.07 0.07 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.744 0 CA-C-O 117.953 -1.47 . . . . 0.0 110.918 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -108.04 114.55 28.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.516 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -106.32 153.68 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.548 ' CE2' ' OG1' ' C' ' 14' ' ' THR . 55.7 m-85 -104.52 144.42 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.665 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.427 HG22 ' HB2' ' C' ' 67' ' ' LEU . 21.5 t -121.9 106.42 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.263 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -90.52 125.78 35.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.67 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 13.9 p -94.35 144.14 25.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.466 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.565 ' O ' HD23 ' C' ' 8' ' ' LEU . 0.8 OUTLIER -53.89 -32.75 54.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.469 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 27.0 p -55.81 -81.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.518 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.7 66.86 0.04 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -173.41 151.9 2.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.773 0.32 . . . . 0.0 110.51 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -121.36 153.78 37.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.476 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -135.11 131.88 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.688 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . 0.548 ' OG1' ' CE2' ' C' ' 4' ' ' PHE . 3.5 m -100.72 119.52 38.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.407 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -121.82 137.22 54.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.793 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -85.5 111.11 19.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.321 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 m -132.35 169.57 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.751 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.654 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 99.0 mt-10 -125.04 147.9 58.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.404 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.53 -20.22 0.56 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.773 2.315 . . . . 0.0 112.06 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.59 17.59 18.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.669 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.654 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 20.0 m-20 -89.0 131.96 34.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.527 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.5 p -82.96 141.09 32.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.641 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 33.0 mm -45.76 -49.22 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.385 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -52.37 -37.22 55.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.372 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -64.16 -45.3 89.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.301 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.31 -48.39 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.261 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -53.3 -40.71 64.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.292 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.82 -45.02 95.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.357 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -58.0 -41.25 82.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.373 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.2 mt -65.48 -37.31 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.447 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -63.2 -32.74 74.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.415 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -76.18 -27.78 57.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -80.03 -63.04 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -87.58 -99.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.574 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.95 28.25 0.02 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 30.4 mt -97.38 100.11 7.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.701 0.286 . . . . 0.0 110.519 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.94 140.15 7.29 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.734 2.289 . . . . 0.0 111.984 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.544 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.65 -41.39 24.24 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.783 2.322 . . . . 0.0 111.892 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.24 20.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.544 ' H ' ' C ' ' C' ' 38' ' ' PRO . 21.1 mt-30 -151.82 54.7 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.526 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -144.87 155.44 43.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.696 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -146.67 96.05 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.396 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.8 mt -91.98 124.34 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.74 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 37.5 mt -122.23 135.53 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.297 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . 0.541 ' O ' ' N ' ' C' ' 47' ' ' GLY . 71.9 t80 -149.15 -80.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.694 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' C' ' 48' ' ' LYS . . . -63.06 67.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.466 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 42.86 18.0 0.04 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' C' ' 46' ' ' ALA . 55.0 mttm -156.79 -177.26 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.903 0.382 . . . . 0.0 110.708 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -91.66 156.79 17.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.589 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.09 115.41 27.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.523 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -66.59 154.88 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.604 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.8 115.59 21.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.6 -57.36 0.69 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.406 ' H ' ' HG2' ' C' ' 54' ' ' ARG . 13.3 mmt85 -51.89 174.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.457 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 30.7 p -115.27 166.59 11.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.613 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.18 -15.53 63.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 6.8 p -79.67 -23.81 42.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.04 -37.89 72.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' C' ' 60' ' ' ASN . 74.4 m-85 -90.33 22.86 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . 0.496 ' O ' ' NE2' ' C' ' 62' ' ' GLN . 18.5 p30 42.87 30.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.653 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 60.2 mt -72.51 113.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.437 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.542 ' CD ' ' H ' ' C' ' 62' ' ' GLN . 12.4 mp0 -83.41 -161.89 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.644 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -87.56 157.34 19.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.668 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 58.46 31.0 20.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.818 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 18.2 m -84.91 139.61 31.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.517 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . 0.46 ' C ' HD12 ' C' ' 67' ' ' LEU . 9.2 m -88.85 122.54 32.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.599 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . 0.46 HD12 ' C ' ' C' ' 66' ' ' THR . 9.5 mp -107.91 117.01 33.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.512 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -76.08 98.6 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.474 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 55.0 tp -91.34 136.73 32.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.712 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -145.15 125.84 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.464 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.894 ' H ' HD23 ' C' ' 71' ' ' LEU . 1.3 pt? -110.07 164.94 12.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -59.52 -68.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 76.9 mt -141.09 -170.38 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -49.08 134.24 17.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.634 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.16 162.74 31.62 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 52.0 m -77.46 -33.11 54.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.541 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -80.5 113.98 19.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.523 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 13.9 tt -47.29 -23.61 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 49.8 m -67.67 -53.86 24.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 14.6 t -45.45 -69.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -48.75 -50.33 34.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.7 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -47.34 -69.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.634 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 31.4 mm -55.73 -32.88 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.69 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 5.8 tp -61.77 -73.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.477 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -52.77 -39.49 55.32 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 5.0 tp -66.57 -38.39 86.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.786 0.327 . . . . 0.0 110.495 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.67 65.1 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 495' ' ' ILE . 95.8 mt -70.67 -11.49 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 0.0 110.546 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 493' ' ' LEU . . . -72.85 -74.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.626 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 53.3 p90 -79.41 21.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.623 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -41.02 -69.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.49 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -107.99 93.54 0.82 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 37.3 t -152.63 -53.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 110.528 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 35.7 tttp 61.08 55.25 3.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.488 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 7.3 t-20 -85.82 -144.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.447 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . 0.488 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 6.2 p-10 -124.21 -15.37 6.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . 0.449 ' OE2' ' NZ ' ' B' ' 6' ' ' LYS . 16.2 mm-40 -85.86 -19.4 30.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.455 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.434 HG23 ' H ' ' A' ' 505' ' ' VAL . 2.7 t -58.02 -48.91 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.495 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.414 HD22 HD21 ' A' ' 530' ' ' LEU . 5.6 mt -92.14 -19.91 21.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.559 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.464 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -71.24 -12.57 72.52 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.464 HD12 ' C ' ' A' ' 507' ' ' GLY . 7.5 mp -119.32 -39.39 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.584 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 509' ' ' LEU . 97.1 mt -69.52 -61.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.624 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 45.1 tp -42.27 -60.54 2.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.74 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.624 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.87 -57.58 2.21 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.523 2.149 . . . . 0.0 111.747 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 72.7 mt -45.55 -22.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -132.77 31.52 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.505 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.531 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -150.86 -36.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.587 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.531 ' C ' ' O ' ' A' ' 514' ' ' ALA . 5.9 p -28.15 -60.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.681 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.507 ' N ' ' OG ' ' A' ' 515' ' ' SER . 43.8 m -166.92 -85.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.636 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -139.52 56.46 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.37 152.75 95.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.385 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . 0.443 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -43.77 128.2 6.71 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.932 2.421 . . . . 0.0 112.079 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.401 ' CG1' ' OE2' ' A' ' 557' ' ' GLU . 19.5 pt -73.71 15.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 519' ' ' PRO . 41.1 mt-10 -85.48 -48.06 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.568 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 4.5 t -97.64 -20.01 17.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.583 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.22 85.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -53.31 -65.76 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 61.1 mtt -52.5 -49.31 65.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.538 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -46.68 -65.4 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.9 t -44.66 -41.65 6.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.658 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.3 tt -56.27 -62.5 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.07 -36.29 12.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 530' ' ' LEU . 2.0 tt -59.19 -61.34 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -59.74 -38.39 81.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -45.32 -49.89 12.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.544 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.443 ' C ' ' H ' ' A' ' 535' ' ' VAL . 91.4 t -76.58 -58.44 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -77.44 31.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.443 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.4 p -63.37 -27.66 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.566 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -74.09 -83.88 0.32 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 8.0 t -72.5 -168.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.437 ' N ' ' OG1' ' A' ' 537' ' ' THR . 8.3 p -174.74 -172.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.569 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.516 ' ND2' ' OD2' ' A' ' 541' ' ' ASP . 47.9 t30 -162.49 167.86 22.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.56 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.25 -48.99 9.94 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . 0.516 ' OD2' ' ND2' ' A' ' 539' ' ' ASN . 5.9 m-20 -45.1 -48.29 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.552 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 88.0 mt -54.26 -38.06 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.6 m -75.88 -56.7 4.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.415 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 77.9 p -43.33 -55.16 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.65 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . 0.41 ' OG ' ' CD1' ' C' ' 73' ' ' LEU . 12.8 m -58.54 -46.41 86.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -32.68 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.472 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 74.5 mmm -72.59 -36.17 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.45 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 544' ' ' THR . 14.2 m-20 -57.66 -39.83 77.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.307 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -69.19 -44.67 71.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.399 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -44.34 -61.41 1.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.36 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 551' ' ' LEU . 10.8 mp -52.91 -54.29 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.31 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.591 ' O ' ' O ' ' A' ' 553' ' ' ARG . 77.1 mt-10 -71.63 43.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.337 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.654 ' CG ' ' H ' ' A' ' 554' ' ' THR . 17.5 ttm180 -43.99 -177.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.904 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.722 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER -157.79 -80.0 0.07 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 33.99 24.62 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -177.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.722 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.4 tp -102.3 3.82 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.602 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 557' ' ' GLU . 3.0 pp20? -136.61 10.65 3.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.313 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.452 ' HG ' ' H ' ' A' ' 560' ' ' THR . 6.3 tp -160.67 141.78 11.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.437 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -133.17 8.65 4.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.452 ' H ' ' HG ' ' A' ' 558' ' ' LEU . 24.8 m -67.73 -76.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.534 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 3.2 p30 -161.58 137.84 8.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.615 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -160.44 -51.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.591 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.3 p -48.38 -19.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.629 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -77.37 -38.82 49.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.545 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -66.57 -51.6 54.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.598 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.0 mp -55.13 -62.93 1.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.505 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -44.17 -48.59 9.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.634 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 13.8 tp -52.8 -71.38 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -45.7 -76.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.552 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 570' ' ' LEU . 53.7 tp -45.01 -21.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.528 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -76.31 -77.17 0.77 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 8.5 mm -67.47 -2.04 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 110.539 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 17.9 tp -41.29 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.555 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -65.26 -171.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.519 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.1 ttt -152.19 -43.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 176.01 126.39 0.95 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -156.26 -61.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.525 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.553 ' N ' HE21 ' A' ' 580' ' ' GLN . . . 172.99 -148.21 10.27 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 582' ' ' ASP . 44.2 mt-10 -62.24 3.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.318 . . . . 0.0 110.702 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.697 ' H ' ' NE2' ' A' ' 580' ' ' GLN . 2.7 mp0 -41.21 -51.16 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.519 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 68.8 t -53.43 -37.36 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 579' ' ' GLU . 10.5 t70 -56.91 -46.2 82.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.2 -51.61 67.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.664 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 54.6 t -44.47 -62.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 8.4 mp -47.14 -56.96 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.61 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -40.15 -54.76 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.632 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.49 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 16.1 m -50.85 -61.74 2.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.8 mt -42.61 -47.17 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.549 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 4.4 t -68.16 -35.17 77.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.543 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 587' ' ' THR . . . -46.97 -39.26 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.499 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.424 ' O ' ' O ' ' A' ' 592' ' ' GLU . 4.5 mt -92.92 143.26 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.541 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 591' ' ' ILE . 24.4 mt-10 -60.02 -144.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.602 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.401 ' C ' ' H ' ' A' ' 595' ' ' MET . 15.4 m-70 62.81 79.06 0.27 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.536 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.02 29.66 0.36 Allowed 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.9 2.4 . . . . 0.0 111.95 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.401 ' H ' ' C ' ' A' ' 593' ' ' HIS . 15.8 mmt -86.15 -49.09 8.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.488 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 1.8 t -69.78 -3.81 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 15.5 p -43.1 -26.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.605 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -63.05 -50.06 72.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.595 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.57 -27.65 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.644 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -62.48 -51.75 66.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 82.0 t -61.79 -38.23 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.586 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 34.6 tp -54.08 -74.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.485 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 606' ' ' CYS . 59.8 t -54.18 -38.19 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.531 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -54.7 -51.4 52.83 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 21.1 m -54.83 -49.11 71.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.309 . . . . 0.0 110.528 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 607' ' ' ALA . 29.1 t -80.55 119.14 22.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.502 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 606' ' ' CYS . . . 174.18 -177.28 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -73.09 -4.61 33.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.543 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 21.9 p -58.94 148.45 30.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 167.86 -101.55 0.18 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 18.5 m -47.63 113.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 110.57 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.813 0 CA-C-O 117.95 -1.472 . . . . 0.0 110.958 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -96.67 102.5 14.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.525 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.405 HG12 HG22 ' B' ' 17' ' ' VAL . 14.3 pt -96.7 151.07 4.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.582 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -105.35 151.78 23.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.537 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 t -130.19 103.12 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.354 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.449 ' NZ ' ' OE2' ' A' ' 504' ' ' GLU . 29.0 ttpt -86.14 126.02 33.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.591 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p -90.44 163.97 14.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.514 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tp -78.98 51.14 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 41.6 p -151.01 -40.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.26 -11.22 2.77 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -82.61 138.24 34.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.797 0.332 . . . . 0.0 110.617 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.4 m -123.13 125.89 46.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.559 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -107.55 149.99 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.638 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -119.24 132.1 55.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.398 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.6 mt -132.14 133.73 44.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -85.43 79.78 9.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.409 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.405 HG22 HG12 ' B' ' 3' ' ' ILE . 4.1 m -97.99 -177.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.541 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 3.1 mt-10 -128.75 175.48 3.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.3 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.72 -24.16 13.73 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.771 2.314 . . . . 0.0 112.034 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -92.45 5.27 51.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.414 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.541 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 15.2 m-20 -75.68 135.42 40.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.581 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 4.0 p -87.09 143.75 27.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.686 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.2 mm -46.97 -53.63 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.368 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -48.29 -37.95 17.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.333 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.635 HD21 ' NZ ' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -63.46 -47.96 79.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.174 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.1 t -56.82 -52.45 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.16 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -51.91 -32.44 32.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.148 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -66.85 -44.28 81.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.273 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.635 ' NZ ' HD21 ' B' ' 25' ' ' ASN . 48.2 mttp -62.97 -32.69 74.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.362 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 11.6 mt -72.37 -37.57 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.493 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -65.0 -39.24 93.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.46 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -71.12 -29.32 65.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -76.15 -59.86 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.624 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -90.93 -96.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.595 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 170.6 18.68 0.02 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.48 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 57.5 mt -93.64 102.92 8.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.624 0.25 . . . . 0.0 110.482 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.42 142.54 6.47 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.634 2.223 . . . . 0.0 111.867 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' B' ' 39' ' ' ASP . 2.7 Cg_endo -46.16 -66.4 0.15 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.792 2.328 . . . . 0.0 112.01 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' B' ' 38' ' ' PRO . 17.0 m-20 -38.47 -32.8 0.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -96.66 59.78 1.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.621 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 60.0 mt-30 -155.8 163.26 40.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.558 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.463 ' CZ ' ' OE1' ' B' ' 49' ' ' GLN . 7.7 tpt180 -154.41 91.47 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.587 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.87 122.36 28.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.503 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.2 mt -128.44 135.27 62.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.484 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -143.36 133.76 24.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.77 30.74 18.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.532 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.06 37.45 87.41 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -144.92 129.83 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.522 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.463 ' OE1' ' CZ ' ' B' ' 42' ' ' ARG . 38.9 mt-30 -77.91 130.4 36.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 mt -83.92 100.13 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.565 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -62.31 154.17 28.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.607 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -73.21 128.01 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 119.6 -63.27 0.46 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' B' ' 53' ' ' GLY . 13.1 mmt85 -43.58 168.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.478 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 15.8 p -113.38 159.58 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.4 mt -63.25 -4.08 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.491 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.5 t -90.95 -19.63 23.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.55 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.83 -36.47 50.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.572 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -88.35 6.6 36.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.538 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.423 ' N ' ' ND2' ' B' ' 60' ' ' ASN . 3.0 m120 60.61 18.39 8.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.21 111.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -86.45 -161.4 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.665 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -86.4 160.21 19.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.759 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 58.66 24.84 12.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.821 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -79.95 133.81 36.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.397 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -87.03 99.89 12.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.681 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.468 ' N ' HD12 ' B' ' 67' ' ' LEU . 10.8 mp -83.06 114.27 21.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.451 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -76.97 108.29 9.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.741 ' C ' HD23 ' B' ' 69' ' ' LEU . 5.9 tt -92.48 115.78 28.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.381 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.588 ' N ' HD23 ' B' ' 69' ' ' LEU . 1.0 OUTLIER -119.74 160.89 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' B' ' 72' ' ' ARG . 82.3 mt -97.03 163.23 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 10.7 ttt-85 78.16 154.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.692 ' H ' HD23 ' B' ' 73' ' ' LEU . 0.7 OUTLIER -157.7 -168.82 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.653 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -51.79 124.82 13.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.512 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -47.44 173.03 0.03 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.777 0 CA-C-O 118.054 -1.415 . . . . 0.0 110.897 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ptt? . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -96.36 111.39 23.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -103.76 148.75 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -103.91 131.44 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.597 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 54.4 t -112.25 112.96 42.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -91.58 129.3 37.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.44 ' C ' ' H ' ' C' ' 9' ' ' THR . 45.9 p -94.65 145.27 24.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.613 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.73 43.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . 0.44 ' H ' ' C ' ' C' ' 7' ' ' THR . 31.9 p -143.51 -20.74 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.599 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.66 58.45 0.49 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -163.37 124.22 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -102.15 157.31 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.607 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -143.2 133.29 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.655 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -98.72 128.17 44.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.398 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -131.17 129.07 41.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.708 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -80.32 98.56 7.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.372 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 m -122.71 165.25 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.732 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.616 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 28.5 mt-10 -123.07 147.92 52.98 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.353 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.5 -17.99 0.27 Allowed 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.805 2.337 . . . . 0.0 112.024 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.404 ' N ' ' O ' ' C' ' 18' ' ' GLU . 0.9 OUTLIER -100.66 19.06 17.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.616 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 9.5 m-20 -91.72 132.54 36.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.496 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . 0.416 ' O ' ' N ' ' C' ' 25' ' ' ASN . 3.0 p -83.2 138.35 33.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.579 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -40.96 -56.04 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.563 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -47.83 -37.83 14.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.385 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.613 ' ND2' ' NZ ' ' C' ' 29' ' ' LYS . 0.2 OUTLIER -64.07 -42.23 97.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.183 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -62.19 -50.93 78.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.152 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . 0.421 ' HZ3' ' CB ' ' C' ' 41' ' ' GLN . 60.5 mttm -51.17 -41.23 60.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.252 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.43 98.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.343 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . 0.613 ' NZ ' ' ND2' ' C' ' 25' ' ' ASN . 58.5 mttp -58.85 -40.78 85.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.444 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 5.6 mt -65.64 -38.46 82.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.299 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -60.98 -37.14 81.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.22 -27.29 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -77.16 -59.29 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.491 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -95.56 -99.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.613 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . 0.4 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . -177.72 10.95 0.03 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 61.4 mt -81.23 125.89 78.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.591 0.234 . . . . 0.0 110.552 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.53 141.99 32.18 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.7 2.267 . . . . 0.0 111.905 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.48 -60.19 0.95 Allowed 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.881 2.387 . . . . 0.0 112.065 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -44.26 -14.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.786 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.537 ' N ' ' O ' ' C' ' 38' ' ' PRO . 11.4 mm100 -119.93 62.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.694 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.421 ' CB ' ' HZ3' ' C' ' 27' ' ' LYS . 19.6 mt-30 -156.87 143.08 18.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.728 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -136.07 102.23 4.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.235 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 mt -95.91 135.56 37.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.775 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.413 HG23 ' O ' ' C' ' 48' ' ' LYS . 13.7 mt -133.56 139.09 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.439 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . 0.573 ' O ' ' N ' ' C' ' 47' ' ' GLY . 79.0 t80 -137.75 161.84 35.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . 0.438 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . 48.44 -84.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.575 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -159.4 31.47 0.43 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . 0.413 ' O ' HG23 ' C' ' 44' ' ' ILE . 62.6 mttm -152.6 162.47 41.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 110.62 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -92.23 146.19 23.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.494 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.52 131.18 34.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.631 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -91.04 150.11 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.678 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.81 100.69 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.59 -61.38 0.45 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.421 ' H ' ' HG2' ' C' ' 54' ' ' ARG . 23.9 mmt180 -49.66 171.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.441 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 12.0 p -110.21 167.11 10.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.4 -22.4 66.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.639 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 7.1 p -74.62 -12.64 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.582 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -87.16 -2.92 58.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -123.85 12.04 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.587 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 55.31 27.76 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.605 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -76.74 99.8 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.523 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -76.59 -170.68 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.609 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . 0.45 ' NZ ' ' CB ' ' C' ' 63' ' ' LYS . 0.3 OUTLIER -77.54 159.26 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.725 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 56.21 29.46 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.756 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 58.0 m -85.68 137.78 32.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 28.6 m -93.5 109.54 21.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.595 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mp -93.68 165.72 12.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -113.66 103.28 11.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 42.8 tp -96.44 130.75 43.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.448 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.91 134.02 60.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.514 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 mt -82.13 161.56 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.565 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . 0.414 ' HD3' HE22 ' C' ' 40' ' ' GLN . 72.1 ttt180 -73.92 -51.16 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' C' ' 74' ' ' ARG . 16.8 tp -174.51 105.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.506 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' C' ' 73' ' ' LEU . 38.2 ttm-85 54.98 109.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.59 144.36 45.98 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 23.6 m -46.51 134.16 9.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.553 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -65.82 101.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.532 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 16.6 tt -53.33 -31.27 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 6.0 m -50.9 -21.05 1.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.55 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 14.7 t -76.57 -56.5 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -66.07 -20.86 66.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.496 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -71.61 -64.25 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 5.0 mm -52.41 -39.36 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.545 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 11.5 tp -55.44 -69.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -53.86 -55.16 27.05 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.529 ' O ' ' CE1' ' A' ' 497' ' ' PHE . 6.0 tp -48.45 -44.23 35.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.543 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.3 -39.4 71.84 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 495' ' ' ILE . 72.5 mt -91.09 -6.44 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.66 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.415 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -72.45 -64.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.565 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.529 ' CE1' ' O ' ' A' ' 493' ' ' LEU . 47.5 p90 -78.31 24.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -38.65 -68.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.45 97.6 1.12 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 36.2 p -171.35 -48.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 110.599 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 51.8 mttp 55.81 77.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.659 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.445 ' C ' ' H ' ' A' ' 504' ' ' GLU . 4.6 m-20 -110.99 143.61 41.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.502 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.28 -1.13 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.512 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 502' ' ' ASN . 31.3 tt0 -86.32 -47.35 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.431 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 24.6 t -44.09 -58.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.446 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 508' ' ' LEU . 22.0 mt -66.17 -48.11 71.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.54 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' B' ' 68' ' ' HIS . . . -43.27 -16.26 0.03 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 506' ' ' LEU . 36.1 tp -118.45 -42.83 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.97 -44.92 87.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.75 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.543 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 6.9 mt -50.08 -65.9 0.76 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.633 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.7 -55.44 3.57 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.66 2.24 . . . . 0.0 111.836 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 61.3 mt -45.98 -26.17 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.515 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -135.82 31.57 3.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.528 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -151.9 -35.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.771 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 514' ' ' ALA . 10.3 t -27.36 -75.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.693 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 515' ' ' SER . 1.2 m -169.4 -46.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -132.16 -97.57 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.622 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 12.8 mt 61.05 146.79 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.467 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.96 117.48 1.57 Allowed 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.832 2.355 . . . . 0.0 112.016 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.431 HG21 ' OG1' ' A' ' 554' ' ' THR . 18.5 pt -66.98 -20.12 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.543 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -70.69 -66.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 66.8 p -57.93 -37.83 74.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.79 89.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.584 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -49.01 -37.71 21.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.522 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 15.5 ttt -70.81 -37.37 73.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.565 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.81 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.562 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 24.5 p -55.81 -41.21 73.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.468 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.5 tt -50.42 -66.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -50.36 -37.27 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.479 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.3 tt -55.28 -59.51 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.488 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -64.9 -36.82 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -46.28 -43.75 15.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.546 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.416 ' C ' ' H ' ' A' ' 535' ' ' VAL . 88.8 t -85.26 -46.82 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -75.25 14.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 531' ' ' ALA . 7.1 p -53.72 -21.42 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.73 -102.56 0.31 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 4.4 t -62.86 -169.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.579 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.522 ' O ' ' ND2' ' A' ' 539' ' ' ASN . 20.2 p -162.96 177.5 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 39.7 m-80 -161.37 167.36 25.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 543' ' ' THR . . . -81.15 -49.57 5.51 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -43.0 -35.99 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.484 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.07 -36.64 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.578 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 540' ' ' GLY . 90.2 m -81.47 -57.81 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 543' ' ' THR . 82.1 p -39.56 -41.41 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 2.4 p -73.32 -57.56 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.333 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -30.38 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.462 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . 0.528 ' SD ' ' CD1' ' C' ' 8' ' ' LEU . 22.3 ttm -72.26 -45.22 61.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.553 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -48.95 -42.29 36.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.382 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -67.81 -46.05 72.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -46.6 -43.21 17.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 48.1 mt -64.88 -64.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.42 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' A' ' 553' ' ' ARG . 8.7 mm-40 -83.34 33.88 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.355 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.508 ' O ' ' O ' ' A' ' 552' ' ' GLU . 30.1 ptt180 -53.76 -119.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.959 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.669 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 176.51 -73.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 35.1 26.19 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -177.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.669 ' N ' ' O ' ' A' ' 554' ' ' THR . 2.0 tp -104.03 10.74 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.71 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -86.86 -26.49 23.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.53 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 558' ' ' LEU . 3.7 mm? 56.43 91.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.627 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.434 ' CG ' ' H ' ' A' ' 560' ' ' THR . 15.2 tptm -174.02 -130.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.434 ' H ' ' CG ' ' A' ' 559' ' ' LYS . 64.9 p -48.17 174.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.54 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -77.02 -178.1 4.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.539 ' CE3' ' N ' ' A' ' 563' ' ' VAL . 40.3 p-90 -173.24 -55.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.539 ' N ' ' CE3' ' A' ' 562' ' ' TRP . 11.5 p -42.13 -39.84 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.569 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . 0.49 ' N ' HG13 ' A' ' 563' ' ' VAL . 13.6 mmm180 -51.73 -61.76 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 568' ' ' LEU . 95.9 m-85 -49.18 -59.79 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.636 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 566' ' ' LEU . 11.0 mp -43.36 -55.58 4.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.493 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -56.58 -24.97 51.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . 0.486 HD23 ' C ' ' A' ' 568' ' ' LEU . 1.7 tt -62.94 -67.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.631 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -60.46 -70.85 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 58.4 tp -41.66 -25.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -77.69 -78.19 0.79 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 14.0 mm -58.24 -9.77 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.596 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 17.6 tp -48.6 -71.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -81.5 -171.81 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 18.4 ttt -164.3 -56.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.611 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 158.05 121.43 0.65 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -172.94 6.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.627 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.736 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 159.99 72.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . 0.582 ' C ' ' O ' ' A' ' 578' ' ' GLY . 66.4 mt-10 21.51 39.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.736 ' N ' ' O ' ' A' ' 578' ' ' GLY . 67.5 mt-30 -66.84 -56.8 8.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.464 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 34.9 t -54.06 -27.42 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.436 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.86 -53.66 43.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.451 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.26 -29.01 70.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 580' ' ' GLN . 78.5 t -64.16 -58.77 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.482 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 19.9 mt -50.03 -39.06 40.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.436 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -58.32 -34.76 70.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.473 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 590' ' ' ALA . 9.3 m -65.24 -56.07 14.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.437 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 8.3 mm -45.03 -39.04 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.37 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 7.6 t -72.41 -33.58 67.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -53.01 -32.14 44.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.476 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.444 ' O ' ' O ' ' A' ' 592' ' ' GLU . 11.5 pt -108.9 161.31 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 591' ' ' ILE . 23.4 mt-10 -59.93 -138.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.578 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 12.4 m80 64.68 74.65 0.4 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.556 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 -23.44 12.92 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.983 2.455 . . . . 0.0 111.941 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 56.6 mtm -63.45 -19.77 65.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 596' ' ' THR . 86.1 m -77.07 -12.76 59.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.662 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 25.6 t -44.79 -37.22 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -46.09 -58.16 3.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.87 -47.3 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -47.43 -51.12 21.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.541 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.81 -52.04 64.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.602 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.8 tp -45.55 -68.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.503 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 41.9 t -56.16 -30.06 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.66 -38.41 94.55 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 31.2 t -65.7 -64.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.742 0.306 . . . . 0.0 110.595 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 48.6 t -88.49 119.78 29.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 608' ' ' TYR . . . -171.41 143.32 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.529 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . 0.43 ' O ' ' O ' ' A' ' 607' ' ' ALA . 12.3 m-85 59.52 145.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 1.1 t -52.33 -20.02 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.569 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -74.61 128.28 10.26 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . 0.417 ' O ' ' OXT' ' A' ' 612' ' ' GLY . 96.8 m -97.22 -54.81 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.506 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . 0.417 ' OXT' ' O ' ' A' ' 611' ' ' THR . . . . . . . . 0 C--O 1.22 -0.781 0 CA-C-O 118.05 -1.417 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -119.78 116.52 26.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.612 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.2 pt -110.61 154.39 12.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -108.94 155.4 20.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.643 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.3 t -133.06 106.65 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.235 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -77.76 128.77 34.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.577 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.52 ' C ' ' H ' ' B' ' 9' ' ' THR . 59.9 p -91.47 172.81 8.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.498 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.43 ' HA ' HD22 ' B' ' 8' ' ' LEU . 0.5 OUTLIER -69.33 12.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.558 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.539 ' O ' ' N ' ' B' ' 11' ' ' LYS . 49.0 p -145.97 173.85 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.409 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.54 68.92 0.02 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' B' ' 9' ' ' THR . 42.4 tttp -159.71 130.76 5.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.613 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.6 m -127.08 130.24 49.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.457 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 mt -102.5 136.04 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.688 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -112.68 125.18 54.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.321 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -127.34 148.48 50.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -91.03 106.64 18.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.204 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 m -127.65 165.16 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.631 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 48.3 mt-10 -124.76 149.9 63.96 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.319 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.65 -19.21 0.43 Allowed 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.86 2.373 . . . . 0.0 112.105 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.33 15.04 25.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.765 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.631 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 8.7 m-20 -87.47 135.06 33.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.482 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.421 ' O ' ' N ' ' B' ' 25' ' ' ASN . 3.2 p -85.87 137.99 32.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.657 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 31.8 mm -43.9 -48.32 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.316 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -53.84 -34.38 59.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.324 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.722 HD21 ' NZ ' ' B' ' 29' ' ' LYS . 0.1 OUTLIER -67.11 -43.09 83.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.265 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.95 -49.13 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.267 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -54.55 -40.59 68.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.381 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.406 ' O ' ' OD1' ' B' ' 32' ' ' ASP . . . -60.4 -48.32 82.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.341 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.722 ' NZ ' HD21 ' B' ' 25' ' ' ASN . 54.8 mttp -56.3 -40.06 73.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.363 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 12.1 mt -63.36 -44.78 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -57.18 -36.48 70.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.408 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 1.0 OUTLIER -72.38 -21.97 61.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.508 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -83.54 -58.25 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -97.06 -104.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.79 26.28 0.05 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.455 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 40.5 mt -99.06 97.62 5.39 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.613 0.244 . . . . 0.0 110.479 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -44.75 143.28 4.33 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.646 2.231 . . . . 0.0 112.003 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -45.92 -66.75 0.14 Allowed 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.843 2.362 . . . . 0.0 112.127 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' B' ' 38' ' ' PRO . 45.7 m-20 -37.49 -27.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' B' ' 38' ' ' PRO . 63.4 mm-40 -104.27 56.95 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.617 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -155.01 171.83 19.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.697 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.552 ' HE ' ' CG ' ' B' ' 49' ' ' GLN . 5.7 tpt180 -172.65 99.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.421 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -86.31 121.1 28.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.72 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.402 HD13 HG21 ' B' ' 44' ' ' ILE . 22.6 mt -117.73 148.27 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.538 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' B' ' 48' ' ' LYS . 77.4 t80 -151.25 123.67 8.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.558 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.96 39.28 10.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.94 -12.48 23.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' B' ' 45' ' ' PHE . 38.5 mmtm -84.82 105.91 15.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.741 0.305 . . . . 0.0 110.604 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.552 ' CG ' ' HE ' ' B' ' 42' ' ' ARG . 16.8 tt0 -79.85 127.4 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.437 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 mt -81.82 125.91 31.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.629 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -99.53 153.18 19.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.578 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.16 142.22 58.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.626 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 102.72 -69.81 0.32 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' B' ' 53' ' ' GLY . 8.9 mmt85 -42.38 169.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.641 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 44.2 p -115.86 166.46 11.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.562 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 mt -65.18 -20.42 66.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.619 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.6 p -73.29 -33.8 65.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.551 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -62.04 -36.14 80.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.594 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -88.74 8.39 29.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 54.99 24.77 6.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.731 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.2 mt -65.24 126.31 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.321 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -91.89 -172.15 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -87.88 160.71 17.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.711 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.05 31.84 21.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m -83.35 167.62 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.338 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.9 m -121.2 85.51 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.56 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.71 169.74 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.457 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 507' ' ' GLY . 32.5 m80 -126.2 107.26 10.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.446 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 15.7 tp -81.21 107.32 13.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.413 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.433 ' C ' HD12 ' B' ' 71' ' ' LEU . 1.6 t -119.08 146.73 23.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.512 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.9 mp -100.57 73.21 1.61 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' B' ' 73' ' ' LEU . 62.7 ttt180 -41.32 135.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.636 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' B' ' 72' ' ' ARG . 15.9 mt 47.23 -174.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.518 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 23.8 ptt-85 -162.27 146.19 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.585 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.17 -112.03 4.54 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.712 0 CA-C-O 117.967 -1.463 . . . . 0.0 110.965 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.403 ' N ' ' O ' ' C' ' 17' ' ' VAL . 17.2 ttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.06 101.34 5.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -109.11 152.12 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -107.67 145.97 32.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.629 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 38.4 t -132.05 102.88 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.372 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -78.36 160.87 27.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.66 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.53 ' C ' ' H ' ' C' ' 9' ' ' THR . 65.2 p -131.27 142.11 50.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.457 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.528 ' CD1' ' SD ' ' A' ' 547' ' ' MET . 0.9 OUTLIER -71.21 36.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.518 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . 0.53 ' H ' ' C ' ' C' ' 7' ' ' THR . 69.2 p -135.57 -14.86 1.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.3 69.23 0.77 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -174.46 141.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.588 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -123.86 123.01 39.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mt -106.02 133.69 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.759 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -105.78 127.36 53.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.453 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 25.0 mt -127.96 132.1 49.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.747 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -86.98 79.23 8.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.483 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.437 HG21 ' CD1' ' C' ' 56' ' ' LEU . 17.5 m -97.93 -164.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.716 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.442 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.2 mt-10 -139.15 176.94 2.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.252 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -75.21 -26.8 10.25 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.795 2.33 . . . . 0.0 112.079 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.95 9.69 26.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.584 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -81.47 135.14 35.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.516 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 4.7 p -86.74 139.39 30.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.769 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 29.4 mm -43.33 -53.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.343 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -47.03 -40.88 15.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.324 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -62.31 -40.69 97.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.183 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.35 -49.26 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.216 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -53.2 -39.48 63.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.293 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.57 98.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.267 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -61.66 -33.58 74.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.287 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -72.68 -38.23 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.295 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -64.03 -32.53 74.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.65 -38.59 58.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.469 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -69.38 -62.32 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.522 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -86.17 -86.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.29 14.2 0.06 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.484 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 63.3 mt -84.83 120.7 74.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.663 0.268 . . . . 0.0 110.5 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -46.3 136.96 14.7 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.613 2.209 . . . . 0.0 111.877 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.46 -63.27 0.34 Allowed 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.734 2.289 . . . . 0.0 112.012 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -44.24 -32.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.778 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -92.58 54.98 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.718 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 60.4 mt-30 -155.86 93.41 1.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.563 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -87.82 109.44 19.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.439 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 74.3 mt -94.01 131.07 39.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.712 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 6.2 mt -128.94 142.26 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . 0.597 ' O ' ' N ' ' C' ' 47' ' ' GLY . 54.3 t80 -135.16 -177.87 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . 0.577 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -57.62 72.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.521 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 167.48 -64.25 0.2 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . 0.437 ' CG ' ' H ' ' C' ' 49' ' ' GLN . 6.5 ttmm -174.66 -146.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.616 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.437 ' H ' ' CG ' ' C' ' 48' ' ' LYS . 39.8 mt-30 -89.54 145.01 25.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.428 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -93.57 120.61 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -83.91 158.81 21.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.582 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.47 166.89 17.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 85.3 -65.16 4.06 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' C' ' 53' ' ' GLY . 1.1 mmt-85 -42.34 168.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 110.621 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 43.4 p -118.33 164.19 15.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.581 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.437 ' CD1' HG21 ' C' ' 17' ' ' VAL . 79.3 mt -66.44 -13.44 60.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.587 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 3.1 t -83.64 -23.75 31.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.33 -39.48 74.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -84.24 4.28 31.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 63.41 24.89 14.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 81.0 mt -71.13 104.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -82.74 -157.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.645 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -85.46 159.59 19.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.622 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 55.64 36.19 26.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.654 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 32.0 m -96.14 138.36 33.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -90.04 125.33 35.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -119.03 112.54 19.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -66.62 147.03 53.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.334 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . 0.742 ' C ' HD23 ' C' ' 69' ' ' LEU . 6.2 tt -141.9 120.0 12.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.391 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.628 ' N ' HD23 ' C' ' 69' ' ' LEU . 10.5 t -114.44 144.88 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.648 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' C' ' 73' ' ' LEU . 7.4 mt -93.35 113.64 25.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.576 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -59.53 80.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.486 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' C' ' 71' ' ' LEU . 0.5 OUTLIER 72.11 89.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.425 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' C' ' 73' ' ' LEU . 12.8 ptm180 35.57 -154.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.723 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.91 -179.43 42.12 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 2.6 t -159.02 7.65 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.604 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt 49.16 86.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.475 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 17.0 pt -63.19 -17.65 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.529 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 29.5 t -51.3 -42.67 61.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.494 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 5.0 m -47.84 -43.99 28.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -65.01 -45.72 84.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.557 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -48.54 -66.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.618 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.424 HG12 ' H ' ' A' ' 490' ' ' ILE . 9.8 mm -48.61 -41.04 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.6 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.44 HD13 ' C ' ' A' ' 491' ' ' LEU . 0.2 OUTLIER -53.85 -62.89 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.504 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -45.19 -56.9 5.86 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.457 ' O ' ' CE2' ' A' ' 497' ' ' PHE . 9.7 mp -56.99 -24.49 53.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.574 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -62.49 -65.99 2.85 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 495' ' ' ILE . 69.4 mt -64.96 -12.62 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 0.0 110.665 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -68.16 -51.86 41.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.619 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.539 ' C ' ' H ' ' A' ' 499' ' ' GLY . 16.4 m-85 -51.01 -39.84 56.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.627 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -56.04 -2.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.659 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -57.31 -71.4 0.75 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 27.7 t -163.37 37.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt 45.34 87.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -94.13 -174.73 3.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.529 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -99.87 -6.23 27.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.582 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -78.23 -18.09 55.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.026 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 497' ' ' PHE . 2.4 t -60.85 -75.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.43 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.9 mp -65.02 -21.71 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.561 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.502 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -58.44 -34.27 74.56 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.502 HD12 ' C ' ' A' ' 507' ' ' GLY . 9.2 mp -114.94 -34.58 5.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.73 0.3 . . . . 0.0 111.054 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 505' ' ' VAL . 4.0 mm? -65.4 -61.03 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.201 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.58 HD23 ' HE ' ' C' ' 74' ' ' ARG . 17.0 tp -43.39 -62.24 1.48 Allowed Pre-proline 0 C--N 1.33 -0.275 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.862 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.613 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.6 Cg_endo -46.37 -64.86 0.22 Allowed 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.459 2.106 . . . . 0.0 111.724 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.53 ' O ' HG22 ' A' ' 512' ' ' ILE . 79.6 mt -55.05 -5.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.545 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 511' ' ' PRO . . . -107.42 -21.81 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.757 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -167.73 37.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.1 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.613 ' N ' ' O ' ' A' ' 511' ' ' PRO . 21.2 t -49.34 -25.75 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.101 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.572 ' OG1' ' O ' ' A' ' 515' ' ' SER . 1.6 m 168.17 -47.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.278 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 517' ' ' ASP . 36.3 t0 -173.01 26.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.637 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' A' ' 519' ' ' PRO . 29.9 mt -52.18 155.5 3.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.398 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . 0.48 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.9 Cg_endo -43.86 178.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.934 2.423 . . . . 0.0 112.132 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' A' ' 521' ' ' GLU . 20.0 mt -105.62 -15.35 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 520' ' ' ILE . 91.5 mt-10 -45.97 -98.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.705 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 524' ' ' ALA . 19.8 p -62.09 -43.18 99.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.742 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 522' ' ' THR . . . -38.91 -31.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.613 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 522' ' ' THR . . . -77.35 -51.64 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.574 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 68.5 mtt -59.69 -55.54 33.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -49.57 -50.19 43.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.616 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 73.8 m -46.28 -48.31 18.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 528' ' ' LEU . 0.2 OUTLIER -53.08 -58.01 8.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.483 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.76 -41.59 15.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.667 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 530' ' ' LEU . 1.6 tt -56.21 -62.74 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -51.12 -45.38 61.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -44.49 -44.52 8.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.567 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 78.2 t -72.9 -58.84 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -81.99 32.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 536' ' ' GLY . 13.8 p -64.43 -36.13 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.532 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.416 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -84.91 -64.65 1.53 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 537' ' ' THR . 0.0 OUTLIER -76.28 122.85 25.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 10.2 t -99.62 176.92 5.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.409 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 25.0 m120 -160.68 172.76 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.536 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 544' ' ' THR . . . -91.17 -52.76 2.31 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -45.92 -60.62 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.639 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 71.5 mt -43.03 -51.2 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.616 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 45.3 m -60.73 -62.03 2.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.582 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 540' ' ' GLY . 81.9 p -41.9 -41.44 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.541 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 13.9 m -71.75 -63.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.263 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -44.7 -29.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.182 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.5 tpt -68.03 -51.57 45.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.285 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.474 ' CG ' ' O ' ' C' ' 72' ' ' ARG . 31.9 m-20 -47.03 -44.08 20.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.216 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.546 ' C ' HD22 ' A' ' 549' ' ' ASN . 0.2 OUTLIER -64.42 -37.88 89.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.281 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -57.28 -63.32 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.459 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 553' ' ' ARG . 10.7 mp -43.62 -61.57 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.298 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.616 ' O ' ' N ' ' A' ' 554' ' ' THR . 47.9 mm-40 -72.66 37.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.248 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.509 ' H ' ' C ' ' A' ' 551' ' ' LEU . 23.7 ttt180 -32.18 -30.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.704 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.3 OUTLIER 57.67 -82.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.451 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 553' ' ' ARG . . . 37.22 20.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.252 0.548 . . . . 0.0 109.666 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.704 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.3 tp -99.02 -2.82 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.541 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -95.8 -62.4 1.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.436 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.612 ' N ' HD12 ' A' ' 558' ' ' LEU . 10.1 mp -95.14 -168.96 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.501 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -164.44 46.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 46.3 p -97.94 -106.7 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.482 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -169.83 141.2 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.409 ' H ' ' H ' ' A' ' 563' ' ' VAL . 13.5 p-90 -168.76 -11.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.582 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.409 ' H ' ' H ' ' A' ' 562' ' ' TRP . 29.8 t -46.02 -28.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.536 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -62.45 -62.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -52.52 -43.68 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 569' ' ' ALA . 36.6 tp -55.46 -39.9 70.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -65.8 -52.88 47.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.531 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 46.9 mt -53.67 -17.38 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.598 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -80.28 -74.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 78.4 mt -63.93 1.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -97.26 -77.09 1.33 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 75.1 mt -55.3 -25.87 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.752 0.31 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.0 tp -55.91 -75.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -59.8 121.15 11.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.515 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 14.1 ttt -146.53 91.02 1.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.533 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -159.41 -147.49 4.9 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -54.81 -70.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.641 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 153.65 -15.41 0.63 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -72.28 -26.14 61.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.545 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -66.83 -68.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.492 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 6.1 p -47.44 -27.25 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.412 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.49 -51.87 65.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.403 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.56 -42.33 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.297 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 39.0 t -63.62 -46.06 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.28 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.5 -39.23 86.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.317 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -55.71 -37.29 68.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.277 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 590' ' ' ALA . 6.9 m -64.55 -57.45 9.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.25 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.7 mt -45.69 -35.14 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.227 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 5.1 m -76.89 -34.79 57.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.233 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -50.55 -30.09 12.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.327 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 10.9 pt -106.86 -168.18 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.435 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -75.66 136.51 40.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.614 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 9.5 p80 -144.39 44.22 0.46 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.626 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.78 -73.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.021 2.481 . . . . 0.0 112.118 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 597' ' ' SER . 6.0 ttm -77.8 -52.14 9.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.688 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 75.7 p -42.83 -18.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.632 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 595' ' ' MET . 22.4 p -45.04 -25.75 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.52 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.06 -77.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 11.4 tt -47.09 -25.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -62.23 -40.73 97.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 84.3 t -76.51 -18.91 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 12.4 tp -73.74 -63.04 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.484 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.63 -43.51 79.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -55.18 -37.86 65.55 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 42.3 t -77.04 -64.86 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.339 . . . . 0.0 110.524 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.26 122.24 23.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -173.75 -71.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.572 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -46.66 123.53 5.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . 0.541 HG22 ' N ' ' A' ' 610' ' ' GLY . 87.8 m -65.82 160.63 22.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.612 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . 0.541 ' N ' HG22 ' A' ' 609' ' ' THR . . . 81.06 87.88 0.61 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 11.8 m -71.86 91.62 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.551 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.793 0 CA-C-O 117.962 -1.465 . . . . 0.0 110.872 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.0 ttp . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -84.94 122.06 28.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.4 pt -123.79 148.5 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.432 ' CE1' HG23 ' B' ' 14' ' ' THR . 71.6 m-85 -102.99 144.62 31.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.621 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.1 t -124.09 108.13 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.357 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -86.86 114.68 23.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.605 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 26.2 p -67.61 -139.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.446 HD22 HG13 ' B' ' 70' ' ' VAL . 2.1 tp -145.62 32.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.529 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 34.1 p -149.38 14.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.462 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.18 72.25 1.25 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -170.83 134.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.64 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.7 m -125.86 108.83 11.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.478 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.6 148.05 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.617 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.484 ' C ' HD12 ' B' ' 15' ' ' LEU . 16.0 m -115.93 105.63 12.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.328 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.531 ' N ' HD12 ' B' ' 15' ' ' LEU . 10.7 mp -104.88 168.38 9.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -124.39 122.37 37.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.083 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.565 HG21 ' CD1' ' B' ' 56' ' ' LEU . 12.1 m -146.56 -163.66 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.916 0.389 . . . . 0.0 110.938 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.558 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 8.2 mt-10 -145.94 145.92 26.72 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.354 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.06 -11.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.913 2.408 . . . . 0.0 112.358 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.471 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -98.5 8.3 45.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.877 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 1.0 OUTLIER -92.5 144.01 25.78 Favored 'General case' 0 N--CA 1.494 1.766 1 N-CA-C 98.828 -4.508 . . . . 0.0 98.828 -164.909 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 25' ' ' ASN . 4.9 p -88.93 132.89 34.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.542 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' B' ' 22' ' ' THR . 25.8 mm -36.65 -57.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -45.63 -44.17 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.406 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.523 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 1.7 t30 -59.03 -48.13 82.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.272 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 19.0 t -54.72 -54.38 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.12 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -48.95 -35.25 14.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.09 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -63.8 -47.24 81.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.152 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -58.36 -32.89 68.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.115 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.8 mt -69.2 -48.27 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.329 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -55.4 -36.87 66.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.499 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.41 -33.84 71.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.532 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -72.44 -65.38 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.537 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -84.97 -104.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.589 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.58 9.18 0.03 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 66.5 mt -81.19 126.42 76.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.66 0.267 . . . . 0.0 110.428 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.02 143.74 36.81 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.571 2.181 . . . . 0.0 111.987 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -45.94 -65.81 0.17 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.824 2.349 . . . . 0.0 112.009 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 38' ' ' PRO . 10.6 t0 -38.06 -26.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.682 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' B' ' 38' ' ' PRO . 46.8 mm-40 -108.58 61.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -149.88 152.98 35.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -148.95 102.71 3.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.389 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.562 HD12 ' N ' ' B' ' 43' ' ' LEU . 8.8 mp -89.28 113.87 25.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.738 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 95.7 mt -115.4 140.38 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.43 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' B' ' 48' ' ' LYS . 69.2 t80 -150.88 135.26 17.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.75 25.25 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.53 -15.15 52.71 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' B' ' 45' ' ' PHE . 29.2 mttm -90.39 124.65 35.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.679 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -83.13 133.74 35.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.48 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.58 123.37 31.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.592 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -90.64 158.85 16.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.28 158.36 33.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 89.95 -66.3 2.81 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' B' ' 53' ' ' GLY . 12.1 mmt85 -43.71 171.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.515 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.7 p -114.13 167.26 10.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.606 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.565 ' CD1' HG21 ' B' ' 17' ' ' VAL . 85.2 mt -64.78 -18.34 64.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.579 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.486 ' C ' ' H ' ' B' ' 59' ' ' TYR . 8.3 t -74.95 -30.08 61.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.668 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.514 ' O ' ' CD1' ' B' ' 59' ' ' TYR . 1.3 m-20 -74.98 29.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' B' ' 58' ' ' ASP . 82.4 m-85 -156.03 0.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.624 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.607 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.6 OUTLIER 63.3 22.27 13.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.716 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.4 mt -67.54 96.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -78.43 -157.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.625 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -86.01 157.62 20.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.707 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 61.97 32.46 17.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.792 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.2 m -88.53 130.21 35.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.433 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 11.6 m -91.07 98.52 11.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.556 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -82.8 120.88 26.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.482 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -76.46 100.27 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.455 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 tp -88.8 106.34 18.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.497 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.446 HG13 HD22 ' B' ' 8' ' ' LEU . 1.8 t -114.95 155.4 16.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.52 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.441 ' N ' HD12 ' B' ' 71' ' ' LEU . 9.7 mp -86.48 111.13 20.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.455 ' CG ' ' N ' ' B' ' 73' ' ' LEU . 36.1 ttp180 -46.62 161.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.654 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.455 ' N ' ' CG ' ' B' ' 72' ' ' ARG . 63.5 tp -44.59 143.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.515 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -81.94 125.08 30.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.59 177.43 39.48 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.728 0 CA-C-O 117.962 -1.465 . . . . 0.0 110.936 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.475 ' N ' ' O ' ' C' ' 17' ' ' VAL . 30.0 ttp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -89.85 122.67 33.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.615 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 11.5 pt -126.08 154.01 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.474 ' HD1' ' HG1' ' C' ' 14' ' ' THR . 72.7 m-85 -109.86 149.21 30.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.728 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 43.6 t -129.93 105.67 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.276 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -88.0 125.79 34.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.716 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 31.7 p -91.65 142.81 27.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.451 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.487 ' O ' HD23 ' C' ' 8' ' ' LEU . 0.6 OUTLIER -59.0 -12.89 5.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.492 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 62.7 p -80.69 -55.01 5.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.49 70.81 0.02 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -169.61 132.5 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 110.624 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -108.29 106.0 15.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.446 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mt -92.59 136.03 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.62 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . 0.474 ' HG1' ' HD1' ' C' ' 4' ' ' PHE . 6.8 m -107.27 127.59 53.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.416 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 mt -130.57 136.28 48.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -89.92 105.78 18.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.41 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' C' ' 1' ' ' MET . 14.0 m -125.82 -164.05 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.789 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.446 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.3 mt-10 -140.25 177.35 2.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.247 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.1 Cg_exo -75.06 -27.05 10.25 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.824 2.35 . . . . 0.0 112.202 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.17 4.98 43.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.663 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.4 134.08 37.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 5.6 p -87.08 143.71 27.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.693 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 24.4 mm -46.61 -46.43 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.35 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -51.56 -43.72 62.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.277 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.474 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 22.5 t30 -60.45 -45.44 93.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.287 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 44.8 t -56.9 -50.73 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.237 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -54.52 -30.42 53.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.286 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -67.57 -50.04 60.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.254 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -57.16 -42.19 80.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.297 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.6 mt -63.09 -41.21 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.43 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -58.92 -38.6 79.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.375 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -68.75 -29.88 68.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.471 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -75.49 -60.98 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.511 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -89.03 -84.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.552 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.2 24.38 0.05 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.467 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 48.7 mt -92.31 108.64 32.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.692 0.282 . . . . 0.0 110.556 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.69 132.85 13.45 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.708 2.272 . . . . 0.0 111.92 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.558 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.46 -38.76 21.58 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.753 2.302 . . . . 0.0 111.925 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.78 14.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.558 ' H ' ' C ' ' C' ' 38' ' ' PRO . 30.6 mt-30 -146.76 56.96 1.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.49 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -147.74 151.68 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -143.11 108.74 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 mt -103.08 128.06 50.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mt -130.7 149.33 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.564 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . 0.552 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 56.3 t80 -155.74 -178.58 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.508 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . 0.552 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -41.11 -21.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.41 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -105.67 64.9 0.29 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . 0.418 ' HB3' ' H ' ' C' ' 49' ' ' GLN . 24.4 mmtp 42.07 -147.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 110.658 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.418 ' H ' ' HB3' ' C' ' 48' ' ' LYS . 25.6 tt0 -87.91 140.87 29.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.447 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . 0.415 ' N ' HD23 ' C' ' 50' ' ' LEU . 8.0 mt -89.26 121.73 31.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.661 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -73.65 159.0 33.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.677 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.68 97.64 9.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.39 -55.13 0.44 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.405 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 12.1 mmt85 -48.39 173.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.777 0.323 . . . . 0.0 110.502 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 11.9 p -113.57 155.83 24.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.461 ' CD1' HG21 ' C' ' 17' ' ' VAL . 81.9 mt -58.6 -14.49 8.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.535 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 13.2 t -78.4 -37.62 43.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.582 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.88 -37.57 74.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -91.2 19.82 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.612 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' C' ' 60' ' ' ASN . 19.1 p30 42.14 33.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.842 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 60.1 mt -72.54 101.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.458 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -80.82 -167.96 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.735 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -74.69 159.83 31.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 58.94 32.38 22.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.791 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 39.7 m -90.67 126.88 36.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.469 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 6.3 m -90.21 107.57 19.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.609 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 mt -91.63 128.14 37.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.484 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -79.91 107.33 12.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.5 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 61.3 tp -97.62 139.32 33.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.646 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 17.4 t -142.79 136.48 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.476 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.426 HD22 HD13 ' C' ' 36' ' ' ILE . 4.6 mt -86.24 149.22 25.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.66 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . 0.474 ' O ' ' CG ' ' A' ' 548' ' ' ASP . 40.2 ttm180 -63.87 -56.78 12.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' C' ' 73' ' ' LEU . 0.2 OUTLIER -175.84 90.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.499 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . 0.58 ' HE ' HD23 ' A' ' 510' ' ' LEU . 53.8 mtt-85 54.65 107.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.523 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.0 142.44 10.84 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 33.9 t0 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 44.8 p -75.5 154.3 37.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.623 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -141.63 -71.15 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.512 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 13.0 pt -50.89 -28.24 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 7.8 t -62.44 -51.82 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.571 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 6.6 t -47.5 -38.67 14.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -67.13 -40.56 86.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.527 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -54.32 -51.08 65.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 15.9 mm -63.19 -28.89 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.512 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.494 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.8 tt -62.75 -70.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.379 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -52.11 -46.97 55.91 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 15.3 tp -66.67 -24.35 66.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 110.36 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -60.73 -43.84 98.63 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 495' ' ' ILE . 66.4 mt -83.86 -13.52 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.721 0.296 . . . . 0.0 110.434 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -70.01 -42.06 73.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.664 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.441 ' C ' ' H ' ' A' ' 499' ' ' GLY . 48.3 m-85 -46.86 -59.92 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -53.9 -9.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.597 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -72.16 -15.79 76.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 46.5 t -146.95 -55.19 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.8 0.334 . . . . 0.0 110.597 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 55.6 tttm 61.08 86.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.523 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.558 ' N ' ' OD1' ' A' ' 502' ' ' ASN . 4.4 p-10 -134.48 -169.88 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -82.5 9.61 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.698 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -89.81 -49.72 6.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.04 0.448 . . . . 0.0 110.103 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.455 ' O ' HD13 ' A' ' 509' ' ' LEU . 50.2 t -48.84 -49.42 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.257 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.1 tp -72.56 -36.57 68.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.502 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -60.1 -9.55 11.61 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.5 mp -120.53 -40.14 2.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 110.714 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 505' ' ' VAL . 7.2 mp -67.93 -66.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.488 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.6 tp -37.37 -62.21 0.62 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.87 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.488 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.12 -55.15 3.9 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.573 2.182 . . . . 0.0 111.721 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 512' ' ' ILE . 73.3 mt -52.23 -14.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.46 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 511' ' ' PRO . . . -132.15 32.68 3.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.519 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -162.46 -33.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.725 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.585 ' C ' HH12 ' B' ' 42' ' ' ARG . 3.8 p -30.03 -79.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.666 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.555 ' OG1' ' NH1' ' B' ' 42' ' ' ARG . 1.9 m -171.06 -71.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.764 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.518 ' C ' HD22 ' A' ' 518' ' ' LEU . 80.8 m-20 -127.32 73.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.789 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.2 mm? -105.0 151.88 39.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.203 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.28 107.3 0.1 OUTLIER 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.773 2.315 . . . . 0.0 111.922 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 26.2 pt -69.71 -6.57 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.692 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -77.85 -46.64 20.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 10.1 m -87.21 -32.83 19.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.625 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -59.4 -38.47 80.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.587 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.75 -53.03 34.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 21.1 mmt -64.16 -42.21 96.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -56.44 -59.67 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.583 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 14.8 m -44.59 -52.45 8.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.495 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 528' ' ' LEU . 0.2 OUTLIER -54.95 -62.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.73 -36.93 12.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.512 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.505 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.8 tt -56.98 -56.69 18.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.525 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.8 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -48.88 -42.94 38.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.609 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.469 ' C ' ' H ' ' A' ' 535' ' ' VAL . 83.5 t -77.66 -56.48 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.544 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -75.76 24.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.472 HG13 ' N ' ' A' ' 536' ' ' GLY . 12.1 p -55.97 -39.45 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.472 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -76.44 -80.72 0.6 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 537' ' ' THR . 0.1 OUTLIER -80.72 127.23 32.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.478 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.414 ' C ' ' ND2' ' A' ' 539' ' ' ASN . 4.3 p -126.63 -177.99 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.414 ' ND2' ' C ' ' A' ' 538' ' ' CYS . 7.6 m-80 -151.58 164.96 35.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.443 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -76.02 -38.43 35.43 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -46.66 -56.07 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.564 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.2 mt -44.39 -46.33 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.595 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 544' ' ' THR . 41.5 m -67.75 -65.52 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.477 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 543' ' ' THR . 67.3 p -39.01 -44.79 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.549 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 23.0 m -66.92 -53.53 31.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.098 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.07 -31.51 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.126 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.2 mmt -69.51 -44.16 71.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.383 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.454 ' OD1' ' NH2' ' C' ' 42' ' ' ARG . 45.8 m-20 -51.28 -36.09 40.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.222 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -72.63 -45.99 56.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.392 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -47.74 -63.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.427 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 551' ' ' LEU . 10.8 mp -51.55 -40.42 59.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.436 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.567 ' O ' ' O ' ' A' ' 553' ' ' ARG . 0.3 OUTLIER -78.39 -95.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.531 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.567 ' O ' ' O ' ' A' ' 552' ' ' GLU . 18.0 ttm180 53.55 120.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.406 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.6 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER -85.52 -38.85 18.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.651 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 44.7 16.02 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.6 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.7 OUTLIER -77.75 -21.78 13.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.998 -179.165 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -74.96 -45.17 44.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.709 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 559' ' ' LYS . 22.0 tp -159.4 153.48 23.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 558' ' ' LEU . 79.7 mttt -57.58 -150.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.566 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 70.9 p -54.35 110.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.535 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 10.3 t0 -169.99 52.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -179.7 -14.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.56 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 563' ' ' VAL . 7.2 p -72.11 -10.24 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.624 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -68.8 -71.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.682 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -70.27 -43.47 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.726 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 51.0 tp -50.83 -47.2 60.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.594 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -62.44 -63.92 1.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.668 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 23.8 mt -43.94 -35.86 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.578 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -58.67 -71.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 56.7 tp -42.5 -23.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -77.58 -76.78 0.86 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 16.0 pt -47.46 -19.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.598 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 571' ' ' GLY . 30.0 tp -56.38 -48.0 77.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.445 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -92.06 129.94 37.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.3 ttt -145.68 98.65 3.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 165.77 135.75 1.89 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -78.49 106.1 10.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -169.16 176.75 43.15 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -79.29 -6.77 57.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 110.661 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -48.06 -59.73 3.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.535 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 98.0 t -56.72 -51.36 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.539 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -44.49 -32.85 1.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.577 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.89 -56.58 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 90.8 t -46.21 -49.87 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 585' ' ' LEU . 11.0 mp -54.22 -46.73 72.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.468 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -47.99 -33.76 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.388 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 17.9 m -70.21 -50.41 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.412 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 62.7 mt -48.88 -38.52 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.492 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 3.6 m -73.84 -35.3 64.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.5 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.403 ' HB1' ' CG2' ' C' ' 44' ' ' ILE . . . -49.34 -43.84 44.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.435 ' O ' ' O ' ' A' ' 592' ' ' GLU . 7.1 pt -103.45 154.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.57 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 6.5 mp0 -59.36 -124.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.479 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 1.8 m-70 60.83 76.16 0.43 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.76 7.17 2.88 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.022 2.482 . . . . 0.0 111.862 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 20.6 mmt -79.29 -18.69 52.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.504 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 4.1 p -85.49 -3.41 58.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.536 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 8.0 t -45.99 -45.77 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.584 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.32 -40.64 78.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.577 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . 0.686 HD12 ' N ' ' A' ' 599' ' ' ILE . 1.7 mp -71.39 -34.4 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -69.44 -49.61 53.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.601 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 82.7 t -53.74 -67.97 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.556 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 48.7 mt -46.96 -73.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.484 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 41.4 t -50.1 -18.24 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -76.93 -63.69 2.25 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 10.5 m -47.64 -68.83 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 110.546 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 90.4 m -80.55 118.29 22.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -156.21 -100.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -46.95 -60.64 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.51 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 14.2 t -68.17 -177.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.561 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 160.57 -167.11 35.64 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 71.3 p -45.6 138.15 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.527 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.816 0 CA-C-O 118.079 -1.401 . . . . 0.0 110.981 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttp . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -84.85 124.24 31.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.617 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -125.28 150.52 30.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -106.1 138.33 42.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.673 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -116.5 104.14 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.089 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -81.4 130.91 35.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 59.4 p -93.88 154.74 17.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.255 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 tp -71.02 48.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.504 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 73.2 p -150.02 -55.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.548 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.74 -13.33 0.14 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -77.25 152.89 34.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -137.28 107.05 6.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.424 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -90.15 135.92 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -105.37 129.03 53.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.238 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -128.34 133.54 48.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.824 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -89.4 107.67 19.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.185 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.516 HG21 ' CD1' ' B' ' 56' ' ' LEU . 10.5 m -131.5 -163.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.986 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.427 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.3 mt-10 -141.82 176.45 2.4 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.129 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.2 Cg_exo -74.5 -25.41 12.99 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.715 2.276 . . . . 0.0 112.24 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.67 5.15 47.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.676 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.406 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 3.7 m-20 -78.53 139.16 38.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.566 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.9 p -87.06 142.43 27.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.773 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 mm -49.15 -49.37 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.268 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -49.28 -41.31 37.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.265 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.438 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 34.6 t-20 -62.21 -44.75 95.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.164 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.75 -51.24 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.146 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -53.05 -34.07 54.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.095 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -65.17 -42.62 93.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.19 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -63.37 -34.99 78.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.343 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.1 mt -69.41 -40.4 79.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.393 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -62.95 -35.46 80.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.407 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -74.54 -21.89 59.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -83.55 -60.36 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -92.5 -92.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.566 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.3 20.76 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.563 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 57.9 mt -93.51 104.04 11.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.689 0.28 . . . . 0.0 110.522 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.72 142.04 7.81 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.609 2.206 . . . . 0.0 111.832 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.05 -64.83 0.22 Allowed 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.792 2.328 . . . . 0.0 112.156 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.497 ' CB ' HE22 ' B' ' 40' ' ' GLN . 1.4 m-20 -38.57 -36.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.497 HE22 ' CB ' ' B' ' 39' ' ' ASP . 2.7 mp0 -93.57 59.06 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.727 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.563 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 60.8 mt-30 -157.52 153.22 26.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.644 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.585 HH12 ' C ' ' A' ' 515' ' ' SER . 31.0 ttp180 -143.9 104.1 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.307 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.3 mt -85.14 111.26 19.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.813 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mm -111.68 146.64 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.285 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -151.78 115.07 4.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.426 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.99 22.41 13.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.428 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.31 25.54 43.31 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -124.81 131.8 53.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.634 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -82.72 120.1 25.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.487 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -83.05 88.41 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.369 . . . . 0.0 110.537 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -52.45 158.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.607 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -71.73 173.32 8.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.524 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 77.02 -58.79 3.56 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' B' ' 53' ' ' GLY . 17.6 mmt180 -45.44 173.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 110.569 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 64.5 p -120.14 164.09 16.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.675 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.516 ' CD1' HG21 ' B' ' 17' ' ' VAL . 97.0 mt -62.83 -21.77 66.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.6 t -75.91 -28.26 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.727 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -73.21 8.17 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.422 ' O ' ' CG ' ' B' ' 60' ' ' ASN . 65.5 m-85 -136.84 22.2 3.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' B' ' 59' ' ' TYR . 5.7 p-10 42.09 37.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.737 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.6 mt -84.32 99.36 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.352 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -80.66 -161.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -81.21 161.25 24.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.776 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 55.65 37.9 29.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.895 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 73.8 m -93.37 138.01 32.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.433 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -94.98 102.6 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.671 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -88.88 119.14 29.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -78.15 102.57 7.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.645 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 14.9 tp -87.21 110.14 19.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.525 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.448 ' HB ' ' HE ' ' B' ' 42' ' ' ARG . 2.0 t -111.26 156.86 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.476 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 74.1 mt -88.72 124.98 34.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.473 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.415 HH21 HE21 ' B' ' 40' ' ' GLN . 52.6 ttp180 -61.14 -79.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.697 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 28.2 mt -79.78 -167.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.612 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -93.04 -171.97 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.77 121.64 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.75 0 CA-C-O 117.969 -1.462 . . . . 0.0 110.917 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttp . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -83.89 111.81 19.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.683 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 pt -115.21 152.49 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.624 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.417 ' CE1' HG23 ' C' ' 14' ' ' THR . 77.0 m-85 -104.74 150.53 24.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.518 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' C' ' 13' ' ' ILE . 41.1 t -128.74 100.31 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.15 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -84.1 114.08 21.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.631 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 10.6 p -76.34 144.39 40.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 36.4 tp -64.87 -15.29 61.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.522 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 19.9 p -80.62 -61.12 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.09 78.23 0.03 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -173.55 162.95 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 30.1 m -139.01 96.51 3.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.448 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' C' ' 5' ' ' VAL . 0.0 OUTLIER -83.78 135.49 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 -179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . 0.481 ' C ' HD12 ' C' ' 15' ' ' LEU . 8.6 m -106.54 98.6 8.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.151 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.541 HD12 ' N ' ' C' ' 15' ' ' LEU . 10.4 mp -101.69 133.62 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.042 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -90.77 113.93 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.053 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.427 HG21 ' CD1' ' C' ' 56' ' ' LEU . 4.6 m -136.97 -162.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.109 0.48 . . . . 0.0 110.971 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.535 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 22.4 mt-10 -146.47 148.54 34.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.085 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.16 -49.06 8.99 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.858 2.372 . . . . 0.0 112.462 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.433 ' O ' ' C ' ' C' ' 21' ' ' ASP . 0.7 OUTLIER -57.8 -40.55 80.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.171 -179.641 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 25.3 m-20 -36.8 145.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.892 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 41.5 p -93.71 147.83 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 37.2 mm -50.92 -42.63 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.502 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -54.37 -46.99 73.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.433 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -60.09 -37.46 80.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.407 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.7 t -63.21 -52.14 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.325 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . 0.451 ' HZ2' ' HG ' ' C' ' 43' ' ' LEU . 30.2 mttp -51.59 -42.12 61.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.089 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.34 -46.82 87.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.236 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -55.5 -46.46 76.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.263 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 15.5 mt -58.03 -46.42 87.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.367 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -55.92 -30.54 61.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.358 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -71.07 -42.69 69.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.472 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -67.5 -54.03 23.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.37 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -97.06 -106.13 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.505 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . 176.55 13.85 0.02 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.584 HD13 HD22 ' C' ' 71' ' ' LEU . 42.0 mt -76.41 114.41 37.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.659 0.266 . . . . 0.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -46.2 134.86 15.3 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.571 2.181 . . . . 0.0 111.883 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.507 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.25 -42.68 21.86 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.76 2.307 . . . . 0.0 112.017 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -73.24 26.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.701 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' C' ' 38' ' ' PRO . 62.5 mt-30 -154.18 52.42 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.527 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 65.3 mt-30 -150.09 95.72 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.833 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . 0.454 ' NH2' ' OD1' ' A' ' 548' ' ' ASP . 56.1 mtm180 -89.56 102.92 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.234 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' HZ2' ' C' ' 27' ' ' LYS . 3.5 mt -89.88 129.45 36.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.988 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.403 ' CG2' ' HB1' ' A' ' 590' ' ' ALA . 87.8 mt -127.49 132.72 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.133 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 71.3 t80 -139.85 167.55 21.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.788 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . 0.603 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -40.55 89.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.57 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 149.11 -62.02 0.42 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . 0.596 ' CD ' ' H ' ' C' ' 49' ' ' GLN . 6.1 tmtp? 178.28 -151.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.616 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.596 ' H ' ' CD ' ' C' ' 48' ' ' LYS . 7.2 tt0 -93.72 144.49 25.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.476 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -89.09 131.28 35.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.661 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' C' ' 51' ' ' GLU . 5.5 mp0 -101.87 158.27 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.542 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -64.69 164.28 12.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.611 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 80.09 -64.15 3.99 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' C' ' 53' ' ' GLY . 16.3 mmt180 -42.81 168.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.573 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 82.6 p -115.64 161.85 18.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.427 ' CD1' HG21 ' C' ' 17' ' ' VAL . 85.3 mt -62.37 -7.62 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 89.7 p -85.83 -41.34 15.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.673 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.48 -10.86 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.768 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -112.67 -3.67 14.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.614 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . 0.405 ' C ' HE21 ' C' ' 62' ' ' GLN . 6.2 m120 64.94 21.33 12.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.771 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.16 109.9 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.395 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.405 HE21 ' C ' ' C' ' 60' ' ' ASN . 49.7 mm-40 -86.01 -160.01 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -84.32 158.23 21.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 56.73 34.58 24.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 26.1 m -90.89 135.77 33.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.512 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -89.0 110.24 20.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.636 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mp -95.17 111.51 23.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.472 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -72.35 103.37 3.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.44 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 10.8 tp -91.81 116.94 29.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.575 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 67.9 t -108.64 131.33 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.441 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.584 HD22 HD13 ' C' ' 36' ' ' ILE . 6.1 mt -84.79 151.56 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.686 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -90.42 75.07 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.401 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 30.4 tp 55.08 92.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.425 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 55.09 176.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.523 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.09 -162.24 29.65 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 57.9 p -151.55 -164.56 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.568 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -51.01 -28.77 10.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.515 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 11.4 pt -55.3 -26.87 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 40.1 p -54.16 -46.99 72.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 23.1 t -72.27 -56.37 5.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -46.95 -34.54 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.562 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 491' ' ' LEU . . . -72.38 -71.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 95.1 mt -43.93 -21.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.546 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 489' ' ' ALA . 62.0 tp -72.56 -59.94 2.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.517 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -59.14 -36.46 88.71 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.57 -38.03 88.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 110.57 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -63.95 -47.3 87.09 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 495' ' ' ILE . 65.7 mt -73.48 -8.85 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -79.28 -77.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -86.85 25.57 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.683 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -40.97 -74.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.586 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -112.82 86.23 0.42 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 72.5 m -164.82 -41.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.692 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp 59.39 83.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -86.64 -100.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.655 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -172.23 -32.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -71.13 -15.81 62.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.024 0.44 . . . . 0.0 110.162 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 505' ' ' VAL . 0.9 OUTLIER -55.32 -68.01 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.241 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.525 ' CD2' HD22 ' A' ' 530' ' ' LEU . 6.1 mt -70.69 -20.11 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.421 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.404 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -64.66 -20.1 65.71 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 507' ' ' GLY . 6.7 mp -118.82 -39.54 2.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 0.0 110.761 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.469 ' CD2' HD21 ' A' ' 530' ' ' LEU . 9.6 mp -68.83 -61.75 1.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.119 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 0.9 OUTLIER -42.6 -60.31 2.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.754 -179.614 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.64 -53.35 6.22 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.497 2.131 . . . . 0.0 111.669 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.401 ' O ' HG22 ' A' ' 512' ' ' ILE . 75.9 mt -54.6 -15.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.317 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -138.06 27.08 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -145.79 -36.06 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.726 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.453 ' O ' ' OG1' ' A' ' 516' ' ' THR . 16.9 t -36.97 -62.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.605 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 515' ' ' SER . 94.9 m -168.72 -59.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.455 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' A' ' 518' ' ' LEU . 15.3 t70 -131.18 -75.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.598 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.2 mm? 56.1 149.53 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.514 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.06 118.79 2.13 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.772 2.314 . . . . 0.0 111.937 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 20.3 pt -72.77 -13.42 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.662 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -77.58 -25.6 50.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 7.4 m -98.75 -22.54 15.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.522 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -73.2 -53.74 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.523 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -44.11 -53.89 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.601 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 40.2 mtt -60.03 -53.64 55.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.59 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 529' ' ' ALA . . . -47.13 -52.26 15.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.578 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.5 t -47.26 -54.62 10.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.586 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' A' ' 531' ' ' ALA . 5.9 tp -46.84 -43.25 18.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 526' ' ' ALA . . . -54.54 -43.51 72.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.593 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.525 HD22 ' CD2' ' A' ' 506' ' ' LEU . 55.2 mt -61.56 -29.65 70.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 528' ' ' LEU . . . -65.05 -68.35 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.59 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -45.38 -33.76 2.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.6 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.517 ' C ' ' H ' ' A' ' 535' ' ' VAL . 93.8 t -79.59 -73.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -72.3 30.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.666 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.534 HG13 ' N ' ' A' ' 536' ' ' GLY . 10.5 p -49.86 -43.69 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.497 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.534 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -91.51 -67.09 1.15 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 28.8 m -53.38 117.58 3.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 47.3 t -109.62 145.25 36.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -147.95 136.92 22.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -61.85 -44.88 97.26 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -45.28 -49.26 12.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.608 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.3 mt -55.97 -43.72 75.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 8.8 m -64.83 -60.0 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.612 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 74.7 p -45.17 -53.61 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.51 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 31.2 m -55.6 -47.28 76.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.979 0.418 . . . . 0.0 110.131 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . 0.432 ' CG2' HD21 ' A' ' 570' ' ' LEU . 0.3 OUTLIER -63.41 -28.62 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.293 179.737 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.3 tpt -74.74 -41.53 59.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.418 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -53.85 -52.0 61.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.359 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -61.51 -30.86 70.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.248 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . 0.627 ' CE1' ' NH2' ' A' ' 553' ' ' ARG . 19.3 t80 -69.44 -25.76 64.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.364 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 37.1 tp -90.7 -44.18 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.527 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.63 -4.96 7.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.627 ' NH2' ' CE1' ' A' ' 550' ' ' PHE . 29.8 ttm180 -41.54 108.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.44 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.58 HG22 HD13 ' A' ' 556' ' ' ILE . 0.2 OUTLIER -86.08 -26.89 25.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.589 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.545 ' O ' HD21 ' A' ' 558' ' ' LEU . . . 54.02 13.69 0.6 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.58 HD13 HG22 ' A' ' 554' ' ' THR . 0.7 OUTLIER -71.51 -12.48 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.78 -179.695 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -84.22 -62.62 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.545 HD21 ' O ' ' A' ' 555' ' ' ALA . 30.0 mt 62.09 54.71 2.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.551 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 560' ' ' THR . 58.5 mttp -149.0 153.94 38.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.569 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 559' ' ' LYS . 72.0 p 50.3 176.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -85.25 165.94 16.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -174.92 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.602 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 563' ' ' VAL . 7.4 p -66.46 -12.1 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.534 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -75.97 -77.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.578 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -52.07 -31.28 29.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.547 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 550' ' ' PHE . 55.4 tp -61.93 -48.85 78.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.93 -62.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.581 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 568' ' ' LEU . 10.3 mp -42.58 -47.69 5.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.475 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.476 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -49.49 -64.16 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.53 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.432 HD21 ' CG2' ' A' ' 546' ' ' ILE . 60.8 mt -57.0 -5.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.476 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -90.33 -71.58 1.24 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 11.9 pt -64.98 -4.81 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 tp -61.18 -58.75 7.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.515 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -80.55 125.3 29.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.566 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 575' ' ' MET . 1.6 tmt? -156.19 -21.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -83.95 -70.22 1.35 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.587 ' CD ' ' H ' ' A' ' 577' ' ' GLN . 7.2 mp0 -68.29 -157.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.317 . . . . 0.0 110.593 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -151.62 -71.19 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -55.83 -27.66 52.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.602 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -45.43 -42.77 10.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.9 -49.7 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.591 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -48.19 -38.09 17.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.72 -36.13 75.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.45 -52.87 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 47.0 mt -55.69 -35.16 65.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.89 -38.59 91.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.524 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 7.1 m -68.73 -54.87 13.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 99.5 mt -44.26 -45.69 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.522 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.1 m -60.99 -38.32 85.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.496 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -55.81 -28.89 58.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.406 ' N ' HD13 ' A' ' 591' ' ' ILE . 6.8 mm -86.61 155.37 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.591 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -73.18 -146.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 6.7 m170 44.78 75.61 0.63 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.4 18.32 0.59 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.941 2.428 . . . . 0.0 111.962 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 20.4 ttt -77.85 -20.82 52.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 599' ' ' ILE . 5.8 t -71.05 -2.93 17.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 65.3 p -40.53 -29.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.603 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.16 98.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 596' ' ' THR . 55.4 mt -77.31 -27.25 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.554 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.05 -40.4 96.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.71 -33.79 27.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.446 ' C ' HD13 ' A' ' 602' ' ' LEU . 0.2 OUTLIER -62.61 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 13.1 t -65.12 -18.88 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.562 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -67.67 -72.32 0.81 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 51.0 p -48.48 -53.45 17.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.337 . . . . 0.0 110.588 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 8.1 m -80.7 123.68 28.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.63 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -175.83 -78.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -158.75 5.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.499 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . 0.408 ' H ' HG23 ' A' ' 609' ' ' THR . 7.5 p -61.59 134.75 57.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' A' ' 612' ' ' GLY . . . 166.41 -41.23 0.26 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 40.9 p -76.63 28.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.516 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 610' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.764 0 CA-C-O 118.05 -1.416 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttp . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -75.93 105.73 7.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.581 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.2 pt -109.74 150.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -105.2 143.67 33.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.666 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -127.38 103.21 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.364 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -75.19 139.55 42.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.702 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -106.57 152.66 23.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.375 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.51 64.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -165.82 -51.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.514 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.94 -6.21 0.43 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -88.44 156.64 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.614 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.8 m -136.98 118.22 14.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.515 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 mt -96.6 128.41 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -104.2 117.21 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.351 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.579 ' CD2' ' NZ ' ' B' ' 33' ' ' LYS . 15.0 mt -118.41 136.03 54.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -88.08 102.35 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.303 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' B' ' 56' ' ' LEU . 10.7 m -121.84 -165.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.71 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.616 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 23.8 mt-10 -147.61 150.24 36.19 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.335 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.41 -28.72 4.16 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.893 2.396 . . . . 0.0 112.347 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.62 15.41 6.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.904 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.616 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 1.4 m-20 -92.91 134.75 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.486 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.454 ' OG1' ' CG ' ' B' ' 24' ' ' GLU . 25.8 p -82.67 147.27 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.765 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 24.2 mm -54.26 -41.34 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.158 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.454 ' CG ' ' OG1' ' B' ' 22' ' ' THR . 9.6 pt-20 -55.65 -41.4 73.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.17 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.672 HD21 ' NZ ' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -62.8 -47.02 85.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.237 179.713 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.78 -53.52 36.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.295 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -50.76 -36.24 35.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.083 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -61.96 -47.33 85.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.123 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.672 ' NZ ' HD21 ' B' ' 25' ' ' ASN . 51.6 mttp -57.59 -43.19 84.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.202 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 13.8 mt -59.52 -45.8 93.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.294 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -56.8 -35.66 69.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.308 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 4.7 m-20 -65.06 -44.28 89.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.44 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.579 ' NZ ' ' CD2' ' B' ' 15' ' ' LEU . 1.2 mptm? -67.16 -63.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.41 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -86.16 -117.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.565 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -171.27 18.79 0.06 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.479 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 54.6 mt -88.29 108.63 23.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.642 0.258 . . . . 0.0 110.566 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.479 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.86 140.74 9.53 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.705 2.27 . . . . 0.0 111.934 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.42 -43.86 21.41 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.749 2.299 . . . . 0.0 112.084 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.457 ' CB ' HE22 ' B' ' 40' ' ' GLN . 2.1 m-20 -60.64 -32.5 71.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' B' ' 40' ' ' GLN . 1.9 mp0 -92.31 52.92 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -144.81 161.6 38.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.631 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.495 ' NE ' ' OE1' ' B' ' 49' ' ' GLN . 70.1 ttt180 -157.24 92.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.529 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.89 117.54 17.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.611 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -111.22 146.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -160.72 129.95 4.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.63 38.92 29.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.51 38.62 96.1 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -145.82 129.25 16.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.592 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.495 ' OE1' ' NE ' ' B' ' 42' ' ' ARG . 35.9 tt0 -80.77 129.87 34.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.8 113.1 21.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.558 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -72.44 158.98 34.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.562 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.0 163.01 28.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.462 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 87.1 -64.21 3.9 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' B' ' 53' ' ' GLY . 20.1 mmt180 -42.52 168.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 110.526 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.9 p -113.21 168.37 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.442 ' CD1' HG21 ' B' ' 17' ' ' VAL . 60.8 mt -68.92 -17.37 63.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.522 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 92.8 p -77.64 -24.57 49.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.541 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' B' ' 58' ' ' ASP . 2.2 m-20 -78.18 15.41 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.62 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -140.92 3.08 1.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.498 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' B' ' 60' ' ' ASN . 0.3 OUTLIER 65.65 15.97 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.776 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.46 98.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.444 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -79.68 -157.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.703 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -86.29 162.7 18.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.714 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 58.57 18.01 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.734 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -66.46 166.59 12.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.364 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 39.1 m -128.38 98.31 5.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.559 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.09 122.54 29.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -82.81 97.58 8.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 5.1 tp -73.91 127.58 33.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.491 ' C ' HD22 ' B' ' 71' ' ' LEU . 2.8 t -132.73 160.95 42.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.634 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.491 HD22 ' C ' ' B' ' 70' ' ' VAL . 4.2 mm? -103.86 125.15 50.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -74.73 161.69 29.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.614 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 44.8 tp -45.7 116.49 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.553 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -64.98 135.8 56.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.31 72.21 1.14 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 118.029 -1.428 . . . . 0.0 110.959 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.482 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -97.23 112.39 24.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.603 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.6 pt -108.21 157.56 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.792 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -114.66 137.31 52.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.585 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 83.9 t -113.22 107.89 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.415 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -92.32 125.83 37.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.67 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -89.37 142.01 28.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.412 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.533 ' O ' HD23 ' C' ' 8' ' ' LEU . 1.0 OUTLIER -49.91 -48.83 51.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.484 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 57.8 p -51.2 -69.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.42 80.38 0.03 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -172.62 122.2 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 110.565 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 10.2 m -102.65 137.08 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.59 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -124.97 128.48 73.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.616 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 6.5 m -92.75 116.39 28.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.315 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -126.5 134.23 50.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.769 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -84.99 120.55 26.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.4 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.2 m -138.17 -176.43 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.704 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.555 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.9 mm-40 -132.79 176.75 2.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.244 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -75.06 -26.18 11.06 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.783 2.322 . . . . 0.0 111.928 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -89.62 1.4 56.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.555 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 9.1 m-20 -70.79 133.03 46.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.514 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.4 p -87.05 143.24 27.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.666 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -46.64 -53.91 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.375 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -48.58 -35.42 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.326 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -66.1 -42.26 89.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.261 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.44 -51.4 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.332 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -52.02 -38.87 58.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.236 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.56 94.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.3 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.44 -38.38 77.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.402 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 7.5 mt -68.92 -36.48 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.388 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.437 ' OE1' ' O ' ' C' ' 36' ' ' ILE . 44.6 tp60 -63.45 -32.82 74.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.463 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.76 -36.29 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.568 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -72.57 -66.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -82.88 -99.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.25 19.04 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.565 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 73.1 mt -88.78 118.08 68.95 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.651 0.262 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.9 135.14 14.09 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.606 2.204 . . . . 0.0 111.957 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.18 -50.63 9.74 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.788 2.325 . . . . 0.0 111.942 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -53.64 -37.63 63.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -88.81 54.25 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.668 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.565 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 62.7 mt-30 -153.94 100.24 2.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.673 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -98.2 101.74 13.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.427 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.3 130.25 34.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.59 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mt -133.21 145.16 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . 0.553 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 55.9 t80 -129.53 176.14 8.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . 0.553 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -39.94 -24.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -86.24 -91.03 0.92 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -146.98 -146.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.341 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -90.31 141.41 28.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.497 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mt -90.1 111.78 23.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.543 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -73.1 157.75 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -74.1 115.62 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.477 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 131.02 -61.69 0.66 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.7 mmt180 -44.36 171.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.496 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.507 ' HG1' ' HG ' ' C' ' 57' ' ' SER . 3.1 p -112.99 166.39 11.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.584 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' C' ' 56' ' ' LEU . 89.2 mt -67.71 -18.71 65.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.59 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . 0.507 ' HG ' ' HG1' ' C' ' 55' ' ' THR . 29.1 p -83.81 -6.39 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.612 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -88.81 -5.93 57.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -123.51 15.77 9.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.52 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 27.7 m120 58.61 15.61 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.88 91.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.434 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -73.41 -161.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.742 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -82.59 159.58 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.749 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 57.69 32.68 22.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 30.3 m -88.01 133.28 33.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 20.1 m -94.39 101.75 13.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -83.29 171.24 13.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.607 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -125.77 108.67 11.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.364 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . 0.748 ' C ' HD23 ' C' ' 69' ' ' LEU . 6.3 tt -92.85 124.28 36.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.542 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.695 ' N ' HD23 ' C' ' 69' ' ' LEU . 67.6 t -122.69 104.45 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.469 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.627 ' O ' HD12 ' C' ' 71' ' ' LEU . 0.3 OUTLIER -78.89 155.24 29.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -68.33 -24.57 64.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 177.65 177.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -47.49 120.08 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.53 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.35 162.46 0.97 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 31.1 m -58.34 -75.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.562 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm 57.2 163.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 19.9 tt -52.27 -20.37 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.583 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 9.2 t -45.97 -39.92 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.647 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 5.4 m -60.68 -42.15 96.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.587 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -59.14 -28.13 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.595 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -74.5 -66.12 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.514 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 11.7 mm -56.55 -33.4 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 21.1 tp -61.6 -78.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -49.61 -47.19 37.65 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 15.5 tp -61.33 -29.57 69.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.503 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -61.07 -41.67 99.53 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 495' ' ' ILE . 71.4 mt -84.78 -11.48 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.749 0.309 . . . . 0.0 110.568 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -70.87 -43.72 67.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.49 ' C ' ' H ' ' A' ' 499' ' ' GLY . 55.4 m-85 -48.48 -48.81 37.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -50.4 -10.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.582 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -82.02 -28.61 40.85 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 80.2 p -174.55 99.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 110.568 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -72.61 53.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.492 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 6.4 t-20 -66.68 -172.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . 0.492 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 12.8 m-20 -84.12 14.18 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.552 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -86.42 -35.97 19.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.287 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.463 HG23 ' H ' ' A' ' 505' ' ' VAL . 2.4 t -50.92 -69.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.398 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.524 ' HB3' HD23 ' A' ' 510' ' ' LEU . 9.4 mt -67.09 -42.32 84.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.59 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -41.09 -25.93 0.15 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 506' ' ' LEU . 43.1 mt -114.32 -40.2 3.7 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.031 -0.267 . . . . 0.0 110.995 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 510' ' ' LEU . 5.6 mp -63.28 -57.07 11.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.754 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.64 ' O ' ' N ' ' A' ' 514' ' ' ALA . 1.2 mm? -39.97 -67.32 0.29 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.579 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.93 -57.74 2.03 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.739 2.292 . . . . 0.0 111.951 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 512' ' ' ILE . 84.3 mt -57.18 -11.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.741 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -147.27 34.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.704 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.64 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -159.96 -36.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.673 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.494 ' O ' ' OG1' ' A' ' 516' ' ' THR . 2.7 t -35.91 -55.06 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.472 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' A' ' 515' ' ' SER . 7.0 m -170.19 -63.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.441 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' A' ' 518' ' ' LEU . 74.9 m-20 -132.27 -69.21 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.451 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.597 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.3 mm? 56.25 150.96 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.48 107.31 0.1 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.762 2.308 . . . . 0.0 112.0 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 13.3 pt -65.88 -15.53 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -66.84 -80.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.528 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 31.0 p -51.98 -45.92 64.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.52 -41.56 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -48.04 -52.99 17.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 28.6 mtt -64.36 -41.9 96.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.613 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.66 -44.74 66.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.517 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 16.5 m -63.96 -31.55 72.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.577 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.0 OUTLIER -59.29 -42.79 92.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.521 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.8 64.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.448 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.2 tt -47.59 -49.07 27.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.527 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -73.67 -53.18 10.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.509 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -46.32 -30.03 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.526 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.5 t -88.87 -48.66 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.572 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -75.56 18.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.451 ' H ' ' C ' ' A' ' 533' ' ' VAL . 13.4 p -53.79 -30.42 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.544 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -94.24 -61.47 1.08 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 70.0 p -57.7 -168.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.6 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.446 ' O ' ' ND2' ' A' ' 539' ' ' ASN . 41.3 t -168.6 143.57 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 20.7 m120 -160.78 138.67 9.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.564 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.87 -36.33 42.29 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -45.82 -44.65 14.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.521 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 95.7 mt -57.22 -61.49 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.539 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 8.2 m -44.77 -53.13 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.503 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.408 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 47.2 p -56.62 -39.85 74.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.418 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . 0.506 ' OG ' HD11 ' A' ' 510' ' ' LEU . 7.0 m -63.17 -50.39 70.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 0.0 110.02 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -31.35 52.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.222 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.38 -46.45 60.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.455 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 544' ' ' THR . 63.0 m-20 -52.36 -36.37 53.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -74.05 -40.55 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.598 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . 0.56 ' CE1' HD21 ' A' ' 566' ' ' LEU . 3.0 m-85 -53.11 -62.46 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.539 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' A' ' 551' ' ' LEU . 31.3 mt -57.57 -59.98 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 553' ' ' ARG . 86.2 mt-10 -48.75 -80.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 552' ' ' GLU . 28.0 ttp180 58.88 147.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.533 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.535 HG22 HD13 ' A' ' 556' ' ' ILE . 0.2 OUTLIER -105.6 -26.31 11.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.508 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 55.61 7.92 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.094 0.473 . . . . 0.0 109.869 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.535 HD13 HG22 ' A' ' 554' ' ' THR . 0.9 OUTLIER -68.61 -27.68 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.589 -179.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -118.78 78.31 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.512 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.478 HD23 ' H ' ' A' ' 558' ' ' LEU . 0.4 OUTLIER -91.7 -9.65 43.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.568 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -57.09 -91.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.648 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.5 HG22 ' N ' ' A' ' 561' ' ' ASP . 90.5 m -57.21 158.95 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.554 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.5 ' N ' HG22 ' A' ' 560' ' ' THR . 2.4 p-10 -66.61 172.6 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.57 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -172.02 -39.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.587 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 563' ' ' VAL . 7.3 p -63.73 -14.18 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -67.37 -77.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.63 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -56.83 -49.34 75.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.56 HD21 ' CE1' ' A' ' 550' ' ' PHE . 10.3 tp -47.61 -49.25 27.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -58.17 -61.74 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.586 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 571' ' ' GLY . 83.7 mt -42.01 -56.8 2.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -41.13 -68.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.61 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 47.9 tp -46.07 -23.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.505 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 573' ' ' LEU . . . -82.23 -77.55 1.05 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.3 pt -53.54 -8.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 110.601 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.447 ' H ' ' C ' ' A' ' 571' ' ' GLY . 19.8 tp -49.97 -58.76 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.485 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -84.42 -175.96 6.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.615 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . 0.484 ' C ' ' H ' ' A' ' 577' ' ' GLN . 24.1 ttt -172.49 -40.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -65.59 6.28 1.36 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.484 ' H ' ' C ' ' A' ' 575' ' ' MET . 72.2 mt-30 52.19 -115.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.552 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 76.01 161.09 10.28 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -64.81 -16.17 62.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.566 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 581' ' ' VAL . 12.6 pt20 -48.15 -42.12 28.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' A' ' 580' ' ' GLN . 87.4 t -60.88 -43.46 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.13 -43.47 61.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.26 -55.11 23.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 95.9 t -42.56 -59.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 10.0 mp -48.24 -39.99 23.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.404 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -54.3 -40.6 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.318 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 590' ' ' ALA . 4.1 m -61.8 -59.91 4.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.386 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 89.8 mt -43.82 -31.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.328 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 7.8 t -88.89 -31.3 18.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.393 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -47.09 -39.19 12.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.436 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 4.4 pt -84.64 123.47 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.463 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.434 ' N ' ' CD ' ' A' ' 592' ' ' GLU . 12.1 mp0 -54.19 164.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.46 ' O ' ' SD ' ' A' ' 595' ' ' MET . 13.9 m170 53.0 72.81 1.06 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.534 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.86 96.56 1.06 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.979 2.453 . . . . 0.0 111.861 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.46 ' SD ' ' O ' ' A' ' 593' ' ' HIS . 0.0 OUTLIER -76.91 -24.58 52.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 599' ' ' ILE . 26.9 p -85.7 2.18 46.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.534 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 596' ' ' THR . 31.7 t -33.78 -40.41 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.698 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -52.3 -50.15 62.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 599' ' ' ILE . 1.8 mp -70.1 -36.2 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.413 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -51.31 -43.75 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.468 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 55.4 t -71.84 -38.3 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 14.9 tp -57.04 -73.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 62.5 t -47.37 -52.84 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -45.79 -50.4 11.57 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 24.1 p -51.96 -32.24 32.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.468 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 55.4 m -85.31 -170.58 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 51.24 -144.55 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -69.16 131.0 44.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 11.2 t -48.71 171.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 175.36 -97.59 0.11 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 87.9 m -50.2 -20.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 117.984 -1.454 . . . . 0.0 110.917 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 29.2 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -101.47 111.38 23.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.678 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 pt -112.89 153.46 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.6 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -109.6 157.03 19.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 74.4 t -132.55 107.22 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -88.61 123.08 32.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.486 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 44.1 p -72.78 -140.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -134.43 38.82 3.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 40.8 p -147.44 -26.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.76 -4.25 3.58 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -85.47 143.3 28.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.806 0.336 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -134.61 137.91 44.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -110.42 173.58 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.499 ' C ' HD12 ' B' ' 15' ' ' LEU . 16.8 m -142.5 97.3 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.425 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.537 ' N ' HD12 ' B' ' 15' ' ' LEU . 10.5 mp -102.97 144.08 31.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -97.18 123.48 40.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.305 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' B' ' 56' ' ' LEU . 6.0 m -145.96 -164.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.817 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.571 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 4.6 mt-10 -146.03 147.74 33.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.307 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.28 -16.98 0.17 Allowed 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.826 2.351 . . . . 0.0 112.261 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.417 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -88.08 -27.41 21.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.798 -179.804 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.571 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -50.1 141.4 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.704 -179.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.496 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.9 p -94.11 139.85 30.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.588 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.6 mm -40.58 -50.41 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -50.34 -44.65 54.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.548 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -60.52 -40.26 90.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.476 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.18 -57.29 12.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.312 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -47.1 -41.99 18.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.326 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.35 90.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.446 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -57.44 -35.63 70.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.485 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 6.5 mt -68.41 -48.7 71.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.381 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.98 -31.54 60.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.485 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -77.3 -27.33 52.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.513 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -78.42 -59.89 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -93.32 -106.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.553 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.75 10.94 0.05 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 21.5 mt -83.63 119.81 74.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.687 0.28 . . . . 0.0 110.505 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -72.69 146.46 43.36 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.709 2.273 . . . . 0.0 111.971 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.551 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.08 -60.41 0.87 Allowed 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.859 2.373 . . . . 0.0 111.964 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -44.21 -15.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.674 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' B' ' 38' ' ' PRO . 58.7 mm-40 -119.92 40.3 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.503 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' B' ' 38' ' ' PRO . 70.5 mt-30 -133.39 153.57 51.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.56 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -155.74 89.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.464 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.62 126.09 31.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.52 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 28.0 mt -127.18 134.8 65.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.502 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -143.87 143.71 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.594 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.1 27.96 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.522 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.27 33.71 73.78 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -144.23 130.72 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.783 0.325 . . . . 0.0 110.573 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' B' ' 50' ' ' LEU . 19.6 tm0? -74.44 131.96 41.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.465 ' O ' ' NE2' ' B' ' 49' ' ' GLN . 22.1 mt -81.69 107.5 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -70.05 150.6 46.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.475 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.36 151.21 45.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.89 -55.75 1.88 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.4 ' H ' ' HG2' ' B' ' 54' ' ' ARG . 15.1 mmt180 -53.22 170.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.741 0.305 . . . . 0.0 110.708 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.496 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 41.4 p -108.45 168.43 9.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.634 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' B' ' 17' ' ' VAL . 86.4 mt -63.4 -34.74 78.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.621 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.527 ' C ' ' H ' ' B' ' 59' ' ' TYR . 60.7 p -60.85 -30.8 70.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.65 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.527 ' O ' ' CD1' ' B' ' 59' ' ' TYR . 2.0 m-20 -72.6 25.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.527 ' CD1' ' O ' ' B' ' 58' ' ' ASP . 74.0 m-85 -154.67 11.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.462 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.2 m120 54.25 27.46 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.2 mt -76.28 93.32 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -78.74 -157.59 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.596 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -84.88 158.31 20.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.729 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 57.64 35.32 25.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.793 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.5 m -93.17 136.24 33.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.529 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -89.72 109.01 20.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.538 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mp -89.3 112.45 23.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -72.82 98.83 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 19.4 tp -85.4 114.3 22.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.554 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -119.4 159.09 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.655 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 36.6 mt -94.41 118.88 32.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.49 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.43 ' CG ' ' N ' ' B' ' 73' ' ' LEU . 22.3 ttp180 -67.0 166.0 14.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.43 ' N ' ' CG ' ' B' ' 72' ' ' ARG . 17.1 mt -40.62 122.56 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.533 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -73.39 135.39 44.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.579 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.22 -157.99 23.22 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.796 0 CA-C-O 118.015 -1.436 . . . . 0.0 110.957 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.411 ' N ' ' O ' ' C' ' 17' ' ' VAL . 30.0 ttp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -97.02 123.28 40.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.552 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 6.3 pt -127.72 151.57 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.64 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.455 ' O ' HD12 ' C' ' 67' ' ' LEU . 96.6 m-85 -106.18 148.54 27.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.612 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 64.6 t -133.68 110.93 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.425 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -93.44 130.02 39.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.593 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 81.5 p -95.43 141.92 28.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.447 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.566 ' O ' HD23 ' C' ' 8' ' ' LEU . 1.2 tt -47.28 -46.96 25.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 34.6 p -52.22 -44.84 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.49 83.92 0.4 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -174.49 123.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.609 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -97.95 140.8 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -130.79 131.5 64.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -101.08 120.45 40.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.423 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -120.24 134.45 55.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.791 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' C' ' 16' ' ' GLU . 15.6 mp0 -91.22 87.37 6.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.7 m -111.87 -163.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.729 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.446 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 14.2 mt-10 -148.64 153.47 39.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.344 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.02 -46.49 13.13 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.924 2.416 . . . . 0.0 112.363 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.449 ' O ' ' C ' ' C' ' 21' ' ' ASP . 1.2 p -59.67 -45.47 91.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.9 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 1.9 m-20 -33.96 138.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.794 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 2.4 p -91.45 145.18 24.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.606 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 19.9 mm -44.01 -52.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.409 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -49.35 -40.49 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.352 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -61.81 -41.74 98.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.184 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.01 -49.0 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.252 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . 0.435 ' NZ ' ' O ' ' C' ' 41' ' ' GLN . 68.6 mttm -53.23 -38.1 62.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.271 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.16 80.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.424 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -56.77 -39.33 73.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.367 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.5 mt -67.25 -39.37 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.429 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -59.87 -36.97 78.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.498 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.99 -33.37 68.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -71.57 -60.15 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -90.64 -89.18 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.54 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.16 1.96 0.03 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -72.16 132.71 84.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.665 0.269 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.07 140.6 28.46 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.707 2.271 . . . . 0.0 111.87 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.01 -62.05 0.5 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.754 2.303 . . . . 0.0 112.055 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -40.96 -26.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.646 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' C' ' 38' ' ' PRO . 23.1 mt-30 -111.02 64.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.435 ' O ' ' NZ ' ' C' ' 27' ' ' LYS . 70.3 mt-30 -151.73 111.55 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.655 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -104.6 106.47 16.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.432 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -97.51 123.24 41.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.763 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 mt -116.49 146.14 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.485 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . 0.616 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 80.3 t80 -160.56 178.08 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.49 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . 0.616 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -43.36 -19.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.619 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . -105.52 30.72 9.38 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' C' ' 45' ' ' PHE . 5.2 ttmm 62.53 -150.44 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.529 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.426 ' H ' ' CG ' ' C' ' 48' ' ' LYS . 46.1 mt-30 -71.79 133.73 45.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.5 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.0 117.35 29.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.679 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -76.97 158.71 30.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.576 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.27 164.62 25.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.581 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 84.72 -60.27 4.83 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' C' ' 53' ' ' GLY . 14.7 mmt85 -44.12 169.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 110.563 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 70.9 p -113.88 164.51 13.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.63 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.94 -1.26 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.545 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . 0.46 ' C ' ' H ' ' C' ' 59' ' ' TYR . 4.9 t -93.66 -31.21 14.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.638 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -72.97 14.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.46 ' H ' ' C ' ' C' ' 57' ' ' SER . 56.6 m-85 -138.83 8.17 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.518 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 56.06 29.67 14.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 74.1 mt -78.34 91.82 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.376 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -78.06 -157.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.65 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -81.81 159.79 23.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.684 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 59.42 33.6 22.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.685 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 11.3 m -92.66 121.46 34.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.508 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 85.5 m -95.12 105.85 17.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . 0.455 HD12 ' O ' ' C' ' 4' ' ' PHE . 1.1 mp -100.54 146.76 26.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.589 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . 0.411 ' CE1' ' OG1' ' A' ' 587' ' ' THR . 0.5 OUTLIER -87.91 149.32 24.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.217 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 47.1 tp -136.03 133.13 37.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.752 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 t -141.01 115.5 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.582 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.566 ' O ' HD12 ' C' ' 71' ' ' LEU . 0.3 OUTLIER -72.12 165.16 24.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.483 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -57.48 -65.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.496 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 23.7 tp -166.11 110.71 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.524 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 51.5 ttm-85 53.76 97.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.41 152.94 8.32 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.985 . . . . . . . . 0 0 . 1 stop_ save_